*HEADER    MEMBRANE PROTEIN, VIRAL PROTEIN         04-DEC-07   2JY0              
*TITLE     SOLUTION NMR STRUCTURE OF HCV NS2 PROTEIN, MEMBRANE SEGMENT           
*TITLE    2 (1-27)                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTEASE NS2-3;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: MEMBRANE SEGMENT, RESIDUES 1-27;                           
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SYNTHETIC PEPTIDE                                     
*KEYWDS    MEMBRANE SEGMENT, HCV NS2 PROTEIN, MEMBRANE PROTEIN, VIRAL            
*KEYWDS   2 PROTEIN                                                              
*EXPDTA    NMR, 40 STRUCTURES                                                    
*AUTHOR    R.MONTSERRET, F.PENIN                                                 
*REVDAT   1   16-SEP-08 2JY0    0                                                


!============================================================================
!   > RESTRAINTS FROM mdretfe50_noe.list
!   > SEQUENCE
!  MDREMAASAGGAVFVGLVLLTLSPHYK
!
!============================================================================
!
! au niveau des pseudo atomes (definis suivant Wuthrich):
! -CH2       = +1.0 A (ex.: HB#  in D)
! -Haromatic = +2.0 A (ex.: HD*  in Y)
! -CH3#      = +1.0 A (ex.: HG2# in I)
! -CH3*      = +2.4 A (ex.: HD*  in L)
! -Harom all = +2.4 A (ex.: HD* et HE* in Y)
!
!============================================================================
! <========== M1 ==========>
assign (resid 1     and name HA   )(resid 2     and name HN   )  2.8  1.0  0.3
assign (resid 1     and name HB#  )(resid 2     and name HN   )  5.0  3.2  0.5
! <========== D2 ==========>
assign (resid 2     and name HB#  )(resid 3     and name HN   )  2.8  1.0  1.3
! <========== R3 ==========>
assign (resid 3     and name HN   )(resid 4     and name HN   )  3.9  2.1  0.4
assign (resid 3     and name HA   )(resid 4     and name HN   )  3.9  2.1  0.4
assign (resid 3     and name HB#  )(resid 4     and name HN   )  3.9  2.1  1.4
assign (resid 3     and name HA   )(resid 6     and name HN   )  3.9  2.1  0.4
assign (resid 3     and name HA   )(resid 6     and name HB#  )  2.8  1.0  2.3
! <========== E4 ==========>
assign (resid 4     and name HN   )(resid 5     and name HN   )  2.8  1.0  0.3
assign (resid 4     and name HA   )(resid 5     and name HN   )  3.9  2.1  0.4
assign (resid 4     and name HB#  )(resid 5     and name HN   )  2.8  1.0  1.3
! <========== M5 ==========>
assign (resid 5     and name HA   )(resid 6     and name HN   )  3.9  2.1  0.4
assign (resid 5     and name HB1  )(resid 6     and name HN   )  3.9  2.1  0.4
assign (resid 5     and name HB2  )(resid 6     and name HN   )  3.9  2.1  0.4
assign (resid 5     and name HA   )(resid 8     and name HN   )  5.0  3.2  0.5
! <========== A6 ==========>
assign (resid 6     and name HN   )(resid 7     and name HN   )  2.8  1.0  0.3
assign (resid 6     and name HA   )(resid 7     and name HN   )  3.9  2.1  0.4
! <========== A7 ==========>
assign (resid 7     and name HN   )(resid 8     and name HN   )  3.9  2.1  0.4
assign (resid 7     and name HA   )(resid 8     and name HN   )  3.9  2.1  0.4
assign (resid 7     and name HB#  )(resid 8     and name HN   )  2.8  1.0  1.3
assign (resid 7     and name HA   )(resid 10     and name HN  )  5.0  3.2  0.5
! <========== S8 ==========>
assign (resid 8     and name HB1  )(resid 9     and name HN   )  5.0  3.2  0.5
assign (resid 8     and name HB2  )(resid 9     and name HN   )  5.0  3.2  0.5
assign (resid 8     and name HA   )(resid 11    and name HN   )  5.0  3.2  0.5
assign (resid 8     and name HA   )(resid 12    and name HN   )  5.0  3.2  0.5
! <========== A9 ==========>
assign (resid 9     and name HA   )(resid 10    and name HN   )  5.0  3.2  0.5
assign (resid 9     and name HB#  )(resid 10    and name HN   )  2.8  1.0  2.3
assign (resid 9     and name HA   )(resid 12    and name HN   )  5.0  3.2  0.5
! <========== G10 ==========>
assign (resid 10    and name HA#  )(resid 12    and name HN   )  5.0  3.2  1.5
assign (resid 10    and name HA#  )(resid 13    and name HN   )  5.0  3.2  1.5
assign (resid 10    and name HA#  )(resid 13    and name HB   )  3.9  2.1  1.4
assign (resid 10    and name HA#  )(resid 13    and name HG1# )  5.0  3.2  2.5
assign (resid 10    and name HA#  )(resid 13    and name HG2# )  5.0  3.2  2.5
assign (resid 10    and name HA#  )(resid 14    and name HN   )  5.0  3.2  1.5
! <========== G11 ==========>
assign (resid 11    and name HN   )(resid 12    and name HN   )  2.8  1.0  0.3
assign (resid 11    and name HA#  )(resid 12    and name HN   )  2.8  1.0  1.3
assign (resid 11    and name HA#  )(resid 13    and name HN   )  5.0  3.2  1.5
assign (resid 11    and name HA#  )(resid 14    and name HN   )  5.0  3.2  1.5
assign (resid 11    and name HA#  )(resid 14    and name HB#  )  2.8  1.0  2.3
! <========== A12 ==========>
assign (resid 12    and name HN   )(resid 13    and name HN   )  2.8  1.0  0.3
assign (resid 12    and name HA   )(resid 13    and name HN   )  3.9  2.1  0.4
assign (resid 12    and name HB#  )(resid 13    and name HN   )  2.8  1.0  1.3
assign (resid 12    and name HA   )(resid 14    and name HN   )  5.0  3.2  0.5
assign (resid 12    and name HA   )(resid 15    and name HB   )  2.8  1.0  0.3
assign (resid 12    and name HA   )(resid 15    and name HG1# )  5.0  3.2  1.5
assign (resid 12    and name HA   )(resid 15    and name HG2# )  5.0  3.2  1.5
assign (resid 12    and name HA   )(resid 16    and name HN   )  5.0  3.2  0.5
! <========== V13 ==========>
assign (resid 13    and name HN   )(resid 14    and name HN   )  2.8  1.0  0.3
assign (resid 13    and name HA   )(resid 14    and name HN   )  3.9  2.1  0.4 
assign (resid 13    and name HB   )(resid 14    and name HN   )  2.8  1.0  0.3
assign (resid 13    and name HG1# )(resid 14    and name HN   )  5.0  3.2  1.5
assign (resid 13    and name HG2# )(resid 14    and name HN   )  5.0  3.2  1.5
assign (resid 13    and name HA   )(resid 15    and name HN   )  5.0  3.2  0.5
assign (resid 13    and name HA   )(resid 17    and name HN   )  5.0  3.2  0.5
! <========== F14 ==========>
assign (resid 14    and name HN   )(resid 15    and name HN   )  2.8  1.0  0.3
assign (resid 14    and name HA   )(resid 15    and name HN   )  3.9  2.1  0.4
assign (resid 14    and name HB#  )(resid 15    and name HN   )  3.9  2.1  1.4
assign (resid 14    and name HN   )(resid 16    and name HN   )  5.0  3.2  0.5
assign (resid 14    and name HA   )(resid 16    and name HN   )  5.0  3.2  0.5
assign (resid 14    and name HA   )(resid 17    and name HN   )  3.9  2.1  0.4
assign (resid 14    and name HA   )(resid 17    and name HB1  )  3.9  2.1  0.4
assign (resid 14    and name HA   )(resid 17    and name HB2  )  3.9  2.1  0.4
assign (resid 14    and name HA   )(resid 17    and name HD1# )  5.0  3.2  1.5
assign (resid 14    and name HA   )(resid 17    and name HD2# )  5.0  3.2  1.5
assign (resid 14    and name HA   )(resid 18    and name HN   )  5.0  3.2  0.5
!
assign (resid 14    and name HD*  )(resid 15    and name HA   )  5.0  3.2  2.5
assign (resid 14    and name HD*  )(resid 15    and name HG1# )  5.0  3.2  3.5
assign (resid 14    and name HD*  )(resid 17    and name HD1# )  5.0  3.2  3.5
assign (resid 14    and name HD*  )(resid 17    and name HD2# )  5.0  3.2  3.5
assign (resid 14    and name HD*  )(resid 18    and name HG2# )  3.9  2.1  3.4
assign (resid 14    and name HE*  )(resid 18    and name HG2# )  5.0  3.2  3.5
assign (resid 14    and name HE*  )(resid 18    and name HG1# )  5.0  3.2  3.5
!
! <========== V15 ==========>
assign (resid 15    and name HN   )(resid 16    and name HN   )  2.8  1.0  0.3
assign (resid 15    and name HA   )(resid 16    and name HN   )  3.9  2.1  0.4
assign (resid 15    and name HB   )(resid 16    and name HN   )  2.8  1.0  0.3
assign (resid 15    and name HG1# )(resid 16    and name HN   )  5.0  3.2  1.5
assign (resid 15    and name HG2# )(resid 16    and name HN   )  5.0  3.2  1.5
assign (resid 15    and name HN   )(resid 17    and name HN   )  5.0  3.2  0.5
assign (resid 15    and name HA   )(resid 17    and name HN   )  5.0  3.2  0.5
assign (resid 15    and name HA   )(resid 18    and name HN   )  3.9  2.1  0.4
assign (resid 15    and name HA   )(resid 18    and name HB   )  2.8  1.0  0.3
assign (resid 15    and name HA   )(resid 18    and name HG1# )  5.0  3.2  1.5
assign (resid 15    and name HA   )(resid 18    and name HG2# )  5.0  3.2  1.5
assign (resid 15    and name HA   )(resid 19    and name HN   )  5.0  3.2  0.5
! <========== G16 ==========>
assign (resid 16    and name HN   )(resid 17    and name HN   )  2.8  1.0  0.3
assign (resid 16    and name HA1  )(resid 17    and name HN   )  3.9  2.1  0.4
assign (resid 16    and name HA2  )(resid 17    and name HN   )  3.9  2.1  0.4
assign (resid 16    and name HN   )(resid 18    and name HN   )  5.0  3.2  0.5
assign (resid 16    and name HA1  )(resid 19    and name HN   )  5.0  3.2  0.5
assign (resid 16    and name HA2  )(resid 19    and name HN   )  5.0  3.2  0.5
assign (resid 16    and name HA1  )(resid 19    and name HB1  )  5.0  3.2  0.5
assign (resid 16    and name HA1  )(resid 19    and name HB2  )  5.0  3.2  0.5
assign (resid 16    and name HA2  )(resid 19    and name HB1  )  3.9  2.1  0.4
assign (resid 16    and name HA2  )(resid 19    and name HB2  )  5.0  3.2  0.5
! <========== L17 ==========>
assign (resid 17    and name HN   )(resid 18    and name HN   )  2.8  1.0  0.3
assign (resid 17    and name HA   )(resid 18    and name HN   )  3.9  2.1  0.4
assign (resid 17    and name HB1  )(resid 18    and name HN   )  3.9  2.1  0.4
assign (resid 17    and name HB2  )(resid 18    and name HN   )  3.9  2.1  0.4
assign (resid 17    and name HD1# )(resid 18    and name HN   )  5.0  3.2  1.5
assign (resid 17    and name HD2# )(resid 18    and name HN   )  5.0  3.2  1.5
assign (resid 17    and name HA   )(resid 20    and name HN   )  3.9  2.1  0.4
assign (resid 17    and name HA   )(resid 20    and name HB1  )  2.8  1.0  0.3
assign (resid 17    and name HA   )(resid 20    and name HB2  )  2.8  1.0  0.3
assign (resid 17    and name HA   )(resid 20    and name HD*  )  5.0  3.2  2.9
! <========== V18 ==========>
assign (resid 18    and name HN   )(resid 19    and name HN   )  2.8  1.0  0.3
assign (resid 18    and name HA   )(resid 19    and name HN   )  5.0  3.2  0.5
assign (resid 18    and name HB   )(resid 19    and name HN   )  2.8  1.0  0.3
assign (resid 18    and name HG2# )(resid 19    and name HN   )  5.0  3.2  1.5
assign (resid 18    and name HN   )(resid 20    and name HN   )  5.0  3.2  0.5
assign (resid 18    and name HA   )(resid 21    and name HN   )  3.9  2.1  0.4
assign (resid 18    and name HA   )(resid 21    and name HB   )  2.8  1.0  0.3
assign (resid 18    and name HA   )(resid 21    and name HG2# )  5.0  3.2  1.5
! <========== L19 ==========>
assign (resid 19    and name HN   )(resid 20    and name HN   )  2.8  1.0  0.3
assign (resid 19    and name HA   )(resid 20    and name HN   )  3.9  2.1  0.4
assign (resid 19    and name HB1  )(resid 20    and name HN   )  2.8  1.0  0.3
assign (resid 19    and name HB2  )(resid 20    and name HN   )  3.9  2.1  0.4
assign (resid 19    and name HD*  )(resid 20    and name HN   )  5.0  3.2  2.9
assign (resid 19    and name HN   )(resid 21    and name HN   )  5.0  3.2  0.5
assign (resid 19    and name HA   )(resid 21    and name HN   )  5.0  3.2  0.5
assign (resid 19    and name HA   )(resid 22    and name HN   )  3.9  2.1  0.4
assign (resid 19    and name HA   )(resid 22    and name HB1  )  5.0  3.2  0.5
assign (resid 19    and name HA   )(resid 22    and name HB2  )  5.0  3.2  0.5
! <========== L20 ==========>
assign (resid 20    and name HN   )(resid 21    and name HN   )  2.8  1.0  0.3
assign (resid 20    and name HA   )(resid 21    and name HN   )  3.9  2.1  0.4
assign (resid 20    and name HB1  )(resid 21    and name HN   )  3.9  2.1  0.4
assign (resid 20    and name HB2  )(resid 21    and name HN   )  3.9  2.1  0.4
assign (resid 20    and name HG   )(resid 21    and name HN   )  5.0  3.2  0.5
assign (resid 20    and name HD*  )(resid 21    and name HN   )  5.0  3.2  2.9
assign (resid 20    and name HN   )(resid 22    and name HN   )  5.0  3.2  0.5
assign (resid 20    and name HA   )(resid 22    and name HN   )  5.0  3.2  0.5
assign (resid 20    and name HA   )(resid 23    and name HN   )  5.0  3.2  0.5
! <========== T21 ==========>
assign (resid 21    and name HN   )(resid 22    and name HN   )  2.8  1.0  0.3
assign (resid 21    and name HA   )(resid 22    and name HN   )  3.9  2.1  0.4
assign (resid 21    and name HB   )(resid 22    and name HN   )  3.9  2.1  0.4
assign (resid 21    and name HG2# )(resid 22    and name HN   )  5.0  3.2  1.5
assign (resid 21    and name HN   )(resid 23    and name HN   )  5.0  3.2  0.5
assign (resid 21    and name HA   )(resid 23    and name HN   )  5.0  3.2  0.5
! <========== L22 ==========>
assign (resid 22    and name HN   )(resid 23    and name HN   )  2.8  1.0  0.3
assign (resid 22    and name HA   )(resid 23    and name HN   )  3.9  2.1  0.4
assign (resid 22    and name HB1  )(resid 23    and name HN   )  3.9  2.1  0.4
assign (resid 22    and name HB2  )(resid 23    and name HN   )  5.0  3.2  0.5
assign (resid 22    and name HD*  )(resid 23    and name HN   )  5.0  3.2  2.9
! <========== S23 ==========>
assign (resid 23    and name HN   )(resid 24    and name HD1  )  5.0  3.2  0.5
assign (resid 23    and name HN   )(resid 24    and name HD2  )  5.0  3.2  0.5
assign (resid 23    and name HA   )(resid 24    and name HD1  )  2.8  1.0  0.3
assign (resid 23    and name HA   )(resid 24    and name HD2  )  2.8  1.0  0.3
assign (resid 23    and name HA   )(resid 24    and name HG#  )  5.0  3.2  1.5
! <========== P24 ==========>
assign (resid 24    and name HA   )(resid 25    and name HN   )  2.8  1.0  0.3
assign (resid 24    and name HB1  )(resid 25    and name HN   )  5.0  3.2  0.5
assign (resid 24    and name HB2  )(resid 25    and name HN   )  5.0  3.2  0.5
assign (resid 24    and name HD1  )(resid 25    and name HN   )  5.0  3.2  0.5
assign (resid 24    and name HG#  )(resid 25    and name HN   )  5.0  3.2  1.5
! <========== H25 ==========>
assign (resid 25    and name HN   )(resid 26    and name HN   )  2.8  1.0  0.3
assign (resid 25    and name HB1  )(resid 26    and name HN   )  5.0  3.2  0.5
assign (resid 25    and name HB2  )(resid 26    and name HN   )  5.0  3.2  0.5
! <========== Y26 ==========>
assign (resid 26    and name HA   )(resid 27    and name HN   )  3.9  2.1  0.4
assign (resid 26    and name HB1  )(resid 27    and name HN   )  5.0  3.2  0.5
assign (resid 26    and name HB2  )(resid 27    and name HN   )  5.0  3.2  0.5
! <========== K27 ==========>

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           1HT      MET   1 -20.825  -9.684   2.017
    2    H2   MET   1           2HT      MET   1 -20.275 -11.237   1.606
    3    H3   MET   1           3HT      MET   1 -21.720 -10.638   0.940
    4    HA   MET   1           HA       MET   1 -18.952  -9.687   0.385
    5    HB2  MET   1           2HB      MET   1 -20.085 -11.833  -0.619
    6    HB3  MET   1           1HB      MET   1 -21.037 -10.685  -1.557
    7    HG2  MET   1           2HG      MET   1 -18.266  -9.903  -1.641
    8    HG3  MET   1           1HG      MET   1 -18.408 -11.600  -2.100
    9    HE1  MET   1           2HE      MET   1 -17.567  -8.874  -3.778
   10    HE2  MET   1           3HE      MET   1 -18.863  -7.977  -2.993
   11    HE3  MET   1           1HE      MET   1 -18.859  -8.183  -4.754
   12    H    ASP   2           H        ASP   2 -19.623  -7.551   1.205
   13    HA   ASP   2           HA       ASP   2 -20.862  -5.886  -0.882
   14    HB2  ASP   2           2HB      ASP   2 -22.608  -5.044   0.717
   15    HB3  ASP   2           1HB      ASP   2 -22.822  -6.738   0.284
   16    H    ARG   3           H        ARG   3 -20.961  -3.517   0.020
   17    HA   ARG   3           HA       ARG   3 -19.830  -1.651   0.851
   18    HB2  ARG   3           2HB      ARG   3 -20.222  -3.502   2.927
   19    HB3  ARG   3           1HB      ARG   3 -18.555  -2.965   3.112
   20    HG2  ARG   3           2HG      ARG   3 -19.333  -0.602   2.996
   21    HG3  ARG   3           1HG      ARG   3 -20.998  -1.182   2.912
   22    HD2  ARG   3           2HD      ARG   3 -20.588  -2.403   5.098
   23    HD3  ARG   3           1HD      ARG   3 -19.051  -1.526   5.216
   24    HE   ARG   3           HE       ARG   3 -21.693  -0.366   5.604
   25   HH11  ARG   3          1HH2      ARG   3 -18.699   0.322   6.505
   26   HH12  ARG   3          2HH2      ARG   3 -18.629   1.962   5.955
   27   HH21  ARG   3          1HH1      ARG   3 -21.521   1.704   4.024
   28   HH22  ARG   3          2HH1      ARG   3 -20.246   2.753   4.542
   29    H    GLU   4           H        GLU   4 -18.446  -2.102  -1.149
   30    HA   GLU   4           HA       GLU   4 -15.803  -3.281  -0.864
   31    HB2  GLU   4           2HB      GLU   4 -17.457  -2.662  -2.920
   32    HB3  GLU   4           1HB      GLU   4 -16.374  -1.272  -2.985
   33    HG2  GLU   4           2HG      GLU   4 -15.308  -4.092  -2.811
   34    HG3  GLU   4           1HG      GLU   4 -15.710  -3.351  -4.359
   35    H    MET   5           H        MET   5 -17.026   0.087  -0.924
   36    HA   MET   5           HA       MET   5 -14.507   1.429  -0.693
   37    HB2  MET   5           2HB      MET   5 -16.924   2.273  -1.208
   38    HB3  MET   5           1HB      MET   5 -17.081   2.401   0.544
   39    HG2  MET   5           2HG      MET   5 -16.320   4.538  -0.101
   40    HG3  MET   5           1HG      MET   5 -14.856   3.723   0.448
   41    HE1  MET   5           3HE      MET   5 -13.287   4.920  -0.418
   42    HE2  MET   5           1HE      MET   5 -12.765   5.080  -2.104
   43    HE3  MET   5           2HE      MET   5 -12.623   3.533  -1.277
   44    H    ALA   6           H        ALA   6 -16.609  -0.090   1.718
   45    HA   ALA   6           HA       ALA   6 -15.471   1.029   4.100
   46    HB1  ALA   6           1HB      ALA   6 -16.871  -1.583   3.468
   47    HB2  ALA   6           2HB      ALA   6 -17.592  -0.112   4.121
   48    HB3  ALA   6           3HB      ALA   6 -16.487  -1.066   5.110
   49    H    ALA   7           H        ALA   7 -14.481  -1.712   2.049
   50    HA   ALA   7           HA       ALA   7 -12.487  -2.729   3.927
   51    HB1  ALA   7           1HB      ALA   7 -11.937  -4.209   2.079
   52    HB2  ALA   7           2HB      ALA   7 -12.784  -3.162   0.940
   53    HB3  ALA   7           3HB      ALA   7 -13.691  -4.051   2.165
   54    H    SER   8           H        SER   8 -12.512  -0.309   1.359
   55    HA   SER   8           HA       SER   8  -9.688  -0.179   0.836
   56    HB2  SER   8           2HB      SER   8 -11.482   0.757  -0.592
   57    HB3  SER   8           1HB      SER   8 -11.859   1.933   0.660
   58    HG   SER   8           HG       SER   8 -10.154   3.055   0.085
   59    H    ALA   9           H        ALA   9  -8.323   1.738   1.428
   60    HA   ALA   9           HA       ALA   9  -7.177   3.020   3.014
   61    HB1  ALA   9           1HB      ALA   9  -9.798   3.573   4.356
   62    HB2  ALA   9           2HB      ALA   9  -9.563   4.097   2.689
   63    HB3  ALA   9           3HB      ALA   9  -8.488   4.684   3.957
   64    H    GLY  10           H        GLY  10  -7.729   0.117   3.671
   65    HA2  GLY  10           2HA      GLY  10  -6.767   0.170   6.409
   66    HA3  GLY  10           1HA      GLY  10  -8.428  -0.414   6.308
   67    H    GLY  11           H        GLY  11  -5.451  -0.914   4.371
   68    HA2  GLY  11           2HA      GLY  11  -4.841  -3.538   5.000
   69    HA3  GLY  11           1HA      GLY  11  -6.145  -3.692   3.822
   70    H    ALA  12           H        ALA  12  -5.770  -2.022   1.878
   71    HA   ALA  12           HA       ALA  12  -3.476  -2.909   0.408
   72    HB1  ALA  12           1HB      ALA  12  -5.625  -2.037  -0.529
   73    HB2  ALA  12           2HB      ALA  12  -4.213  -1.234  -1.218
   74    HB3  ALA  12           3HB      ALA  12  -5.172  -0.422   0.020
   75    H    VAL  13           H        VAL  13  -4.094   0.120   2.206
   76    HA   VAL  13           HA       VAL  13  -1.682   1.508   1.556
   77    HB   VAL  13           HB       VAL  13  -3.322   1.549   4.122
   78   HG11  VAL  13          1HG1      VAL  13  -1.469   3.603   2.870
   79   HG12  VAL  13          2HG1      VAL  13  -1.195   2.725   4.376
   80   HG13  VAL  13          3HG1      VAL  13  -2.504   3.901   4.268
   81   HG21  VAL  13          3HG2      VAL  13  -3.759   2.681   1.389
   82   HG22  VAL  13          1HG2      VAL  13  -4.176   3.706   2.762
   83   HG23  VAL  13          2HG2      VAL  13  -4.940   2.128   2.577
   84    H    PHE  14           H        PHE  14  -2.430  -0.852   4.124
   85    HA   PHE  14           HA       PHE  14   0.090  -0.734   5.507
   86    HB2  PHE  14           2HB      PHE  14  -2.219  -1.744   6.161
   87    HB3  PHE  14           1HB      PHE  14  -1.684  -3.169   5.273
   88    HD1  PHE  14           1HD      PHE  14  -0.970  -0.968   8.168
   89    HD2  PHE  14           2HD      PHE  14   0.058  -4.605   6.123
   90    HE1  PHE  14           1HE      PHE  14   0.364  -1.694  10.129
   91    HE2  PHE  14           2HE      PHE  14   1.391  -5.329   8.086
   92    HZ   PHE  14           HZ       PHE  14   1.545  -3.874  10.088
   93    H    VAL  15           H        VAL  15  -1.091  -2.738   2.782
   94    HA   VAL  15           HA       VAL  15   1.136  -4.524   2.580
   95    HB   VAL  15           HB       VAL  15  -0.736  -3.390   0.465
   96   HG11  VAL  15          1HG1      VAL  15   1.263  -4.433  -0.544
   97   HG12  VAL  15          2HG1      VAL  15  -0.176  -5.409  -0.833
   98   HG13  VAL  15          3HG1      VAL  15   0.982  -5.892   0.406
   99   HG21  VAL  15          3HG2      VAL  15  -1.192  -5.139   2.671
  100   HG22  VAL  15          1HG2      VAL  15  -1.248  -6.122   1.208
  101   HG23  VAL  15          2HG2      VAL  15  -2.310  -4.724   1.374
  102    H    GLY  16           H        GLY  16   0.542  -1.328   1.066
  103    HA2  GLY  16           2HA      GLY  16   2.993  -1.211  -0.424
  104    HA3  GLY  16           1HA      GLY  16   2.008   0.183   0.027
  105    H    LEU  17           H        LEU  17   2.103  -0.236   2.871
  106    HA   LEU  17           HA       LEU  17   4.507   1.157   3.587
  107    HB2  LEU  17           2HB      LEU  17   2.211   1.039   4.733
  108    HB3  LEU  17           1HB      LEU  17   2.740  -0.503   5.402
  109    HG   LEU  17           HG       LEU  17   4.842   0.822   6.192
  110   HD11  LEU  17          1HD1      LEU  17   4.218   3.229   6.702
  111   HD12  LEU  17          2HD1      LEU  17   2.852   3.032   5.603
  112   HD13  LEU  17          3HD1      LEU  17   4.501   2.883   4.996
  113   HD21  LEU  17          3HD2      LEU  17   3.380  -0.023   7.851
  114   HD22  LEU  17          1HD2      LEU  17   2.054   1.020   7.340
  115   HD23  LEU  17          2HD2      LEU  17   3.440   1.706   8.188
  116    H    VAL  18           H        VAL  18   3.558  -2.282   3.915
  117    HA   VAL  18           HA       VAL  18   5.885  -3.234   5.279
  118    HB   VAL  18           HB       VAL  18   3.854  -4.462   3.391
  119   HG11  VAL  18          1HG1      VAL  18   6.233  -5.745   4.720
  120   HG12  VAL  18          2HG1      VAL  18   5.624  -5.971   3.080
  121   HG13  VAL  18          3HG1      VAL  18   4.758  -6.673   4.446
  122   HG21  VAL  18          3HG2      VAL  18   4.317  -4.841   6.365
  123   HG22  VAL  18          1HG2      VAL  18   2.941  -5.417   5.424
  124   HG23  VAL  18          2HG2      VAL  18   3.167  -3.688   5.687
  125    H    LEU  19           H        LEU  19   5.173  -2.859   1.800
  126    HA   LEU  19           HA       LEU  19   7.627  -4.005   0.812
  127    HB2  LEU  19           2HB      LEU  19   5.350  -3.449  -0.338
  128    HB3  LEU  19           1HB      LEU  19   6.040  -1.844  -0.571
  129    HG   LEU  19           HG       LEU  19   7.770  -4.151  -1.315
  130   HD11  LEU  19          1HD1      LEU  19   5.465  -3.251  -3.066
  131   HD12  LEU  19          2HD1      LEU  19   5.503  -4.774  -2.177
  132   HD13  LEU  19          3HD1      LEU  19   6.676  -4.472  -3.458
  133   HD21  LEU  19          3HD2      LEU  19   8.579  -2.628  -2.949
  134   HD22  LEU  19          1HD2      LEU  19   8.266  -1.622  -1.534
  135   HD23  LEU  19          2HD2      LEU  19   7.119  -1.643  -2.874
  136    H    LEU  20           H        LEU  20   6.665  -0.633   1.577
  137    HA   LEU  20           HA       LEU  20   9.051   0.661   0.670
  138    HB2  LEU  20           2HB      LEU  20   6.685   1.513   1.508
  139    HB3  LEU  20           1HB      LEU  20   7.514   1.623   3.061
  140    HG   LEU  20           HG       LEU  20   9.364   2.886   1.754
  141   HD11  LEU  20          1HD1      LEU  20   8.712   3.957  -0.289
  142   HD12  LEU  20          2HD1      LEU  20   7.045   3.406  -0.124
  143   HD13  LEU  20          3HD1      LEU  20   8.325   2.248  -0.485
  144   HD21  LEU  20          3HD2      LEU  20   7.765   5.001   1.755
  145   HD22  LEU  20          1HD2      LEU  20   8.203   4.215   3.271
  146   HD23  LEU  20          2HD2      LEU  20   6.640   3.884   2.526
  147    H    THR  21           H        THR  21   8.261  -0.909   3.770
  148    HA   THR  21           HA       THR  21  10.585  -0.023   5.233
  149    HB   THR  21           HB       THR  21   8.786  -2.466   5.462
  150    HG1  THR  21           1HG      THR  21   7.555  -0.788   5.955
  151   HG21  THR  21          3HG2      THR  21  10.934  -2.847   6.620
  152   HG22  THR  21          1HG2      THR  21   9.612  -2.652   7.771
  153   HG23  THR  21          2HG2      THR  21  10.735  -1.323   7.485
  154    H    LEU  22           H        LEU  22   9.935  -2.785   3.087
  155    HA   LEU  22           HA       LEU  22  12.550  -4.039   3.507
  156    HB2  LEU  22           2HB      LEU  22  10.043  -4.510   1.990
  157    HB3  LEU  22           1HB      LEU  22  11.504  -5.163   1.253
  158    HG   LEU  22           HG       LEU  22  11.990  -6.052   3.688
  159   HD11  LEU  22          1HD1      LEU  22   8.965  -6.011   3.723
  160   HD12  LEU  22          2HD1      LEU  22   9.931  -4.794   4.554
  161   HD13  LEU  22          3HD1      LEU  22  10.061  -6.489   5.018
  162   HD21  LEU  22          3HD2      LEU  22  11.589  -7.446   1.672
  163   HD22  LEU  22          1HD2      LEU  22   9.850  -7.279   1.913
  164   HD23  LEU  22          2HD2      LEU  22  10.827  -8.143   3.101
  165    H    SER  23           H        SER  23  10.986  -2.278   0.778
  166    HA   SER  23           HA       SER  23  13.601  -1.179  -0.048
  167    HB2  SER  23           2HB      SER  23  12.996  -3.634  -0.976
  168    HB3  SER  23           1HB      SER  23  12.132  -2.675  -2.170
  169    HG   SER  23           HG       SER  23  13.995  -2.158  -2.997
  170    HA   PRO  24           HA       PRO  24  10.335   1.777  -1.092
  171    HB2  PRO  24           2HB      PRO  24  11.915   3.994  -1.039
  172    HB3  PRO  24           1HB      PRO  24  11.259   3.223   0.417
  173    HG2  PRO  24           2HG      PRO  24  13.995   3.185  -0.656
  174    HG3  PRO  24           1HG      PRO  24  13.427   3.014   1.009
  175    HD2  PRO  24           2HD      PRO  24  14.274   0.949  -0.692
  176    HD3  PRO  24           1HD      PRO  24  13.455   0.772   0.872
  177    H    HIS  25           H        HIS  25  12.127   0.326  -3.217
  178    HA   HIS  25           HA       HIS  25  12.580   0.495  -5.500
  179    HB2  HIS  25           2HB      HIS  25  10.354   2.516  -5.111
  180    HB3  HIS  25           1HB      HIS  25  10.945   2.034  -6.698
  181    HD1  HIS  25           1HD      HIS  25  10.236  -0.257  -7.583
  182    HD2  HIS  25           2HD      HIS  25   9.058   0.380  -3.635
  183    HE1  HIS  25           1HE      HIS  25   8.677  -2.159  -6.987
  184    H    TYR  26           H        TYR  26  14.719   1.440  -4.672
  185    HA   TYR  26           HA       TYR  26  15.242   4.276  -4.766
  186    HB2  TYR  26           2HB      TYR  26  16.968   1.800  -5.013
  187    HB3  TYR  26           1HB      TYR  26  17.643   3.425  -4.981
  188    HD1  TYR  26           1HD      TYR  26  16.675   4.964  -2.996
  189    HD2  TYR  26           2HD      TYR  26  16.776   0.669  -2.990
  190    HE1  TYR  26           1HE      TYR  26  16.547   4.964  -0.521
  191    HE2  TYR  26           2HE      TYR  26  16.648   0.670  -0.516
  192    HH   TYR  26           HH       TYR  26  17.410   2.818   1.361
  193    H    LYS  27           H        LYS  27  16.414   5.448  -6.442
  194    HA   LYS  27           HA       LYS  27  16.420   4.217  -9.167
  195    HB2  LYS  27           2HB      LYS  27  14.832   6.509  -8.113
  196    HB3  LYS  27           1HB      LYS  27  15.515   6.696  -9.728
  197    HG2  LYS  27           2HG      LYS  27  14.492   4.530 -10.390
  198    HG3  LYS  27           1HG      LYS  27  13.751   4.412  -8.794
  199    HD2  LYS  27           2HD      LYS  27  12.188   6.018  -9.243
  200    HD3  LYS  27           1HD      LYS  27  13.287   6.961 -10.247
  201    HE2  LYS  27           2HE      LYS  27  12.591   4.324 -11.391
  202    HE3  LYS  27           1HE      LYS  27  11.224   5.444 -11.246
  203    HZ1  LYS  27           3HZ      LYS  27  12.491   7.148 -12.351
  204    HZ2  LYS  27           1HZ      LYS  27  12.476   5.762 -13.326
  205    HZ3  LYS  27           2HZ      LYS  27  13.864   6.146 -12.424
  Start of MODEL    2
    1    H1   MET   1           1HT      MET   1 -23.998   0.916  -1.970
    2    H2   MET   1           2HT      MET   1 -22.860   1.476  -0.840
    3    H3   MET   1           3HT      MET   1 -24.503   1.376  -0.418
    4    HA   MET   1           HA       MET   1 -23.272  -0.465   0.571
    5    HB2  MET   1           2HB      MET   1 -25.410  -0.721  -1.490
    6    HB3  MET   1           1HB      MET   1 -24.669  -2.228  -0.955
    7    HG2  MET   1           2HG      MET   1 -25.202  -1.741   1.360
    8    HG3  MET   1           1HG      MET   1 -25.780  -0.133   0.932
    9    HE1  MET   1           2HE      MET   1 -26.789  -3.675   1.704
   10    HE2  MET   1           3HE      MET   1 -26.078  -3.865   0.105
   11    HE3  MET   1           1HE      MET   1 -27.804  -4.179   0.357
   12    H    ASP   2           H        ASP   2 -21.002  -0.307  -0.125
   13    HA   ASP   2           HA       ASP   2 -20.282  -1.700  -2.655
   14    HB2  ASP   2           2HB      ASP   2 -18.803  -0.009  -0.627
   15    HB3  ASP   2           1HB      ASP   2 -17.983  -0.826  -1.959
   16    H    ARG   3           H        ARG   3 -19.442  -3.728  -2.661
   17    HA   ARG   3           HA       ARG   3 -18.074  -4.918  -0.352
   18    HB2  ARG   3           2HB      ARG   3 -20.637  -5.027   0.018
   19    HB3  ARG   3           1HB      ARG   3 -20.652  -6.196  -1.302
   20    HG2  ARG   3           2HG      ARG   3 -19.786  -7.837  -0.008
   21    HG3  ARG   3           1HG      ARG   3 -18.572  -6.764   0.682
   22    HD2  ARG   3           2HD      ARG   3 -19.826  -7.106   2.588
   23    HD3  ARG   3           1HD      ARG   3 -20.776  -5.770   1.910
   24    HE   ARG   3           HE       ARG   3 -21.534  -8.468   0.972
   25   HH11  ARG   3          1HH1      ARG   3 -21.921  -7.789   4.021
   26   HH12  ARG   3          2HH1      ARG   3 -23.601  -7.374   4.012
   27   HH21  ARG   3          1HH2      ARG   3 -23.782  -7.087   0.545
   28   HH22  ARG   3          2HH2      ARG   3 -24.660  -6.971   2.030
   29    H    GLU   4           H        GLU   4 -17.004  -4.460  -2.753
   30    HA   GLU   4           HA       GLU   4 -17.025  -7.079  -4.208
   31    HB2  GLU   4           2HB      GLU   4 -16.549  -5.778  -6.224
   32    HB3  GLU   4           1HB      GLU   4 -17.999  -5.168  -5.439
   33    HG2  GLU   4           2HG      GLU   4 -15.356  -3.903  -4.772
   34    HG3  GLU   4           1HG      GLU   4 -16.130  -3.501  -6.300
   35    H    MET   5           H        MET   5 -15.059  -4.845  -2.423
   36    HA   MET   5           HA       MET   5 -12.609  -6.387  -3.187
   37    HB2  MET   5           2HB      MET   5 -13.085  -3.412  -2.955
   38    HB3  MET   5           1HB      MET   5 -11.464  -4.094  -2.831
   39    HG2  MET   5           2HG      MET   5 -11.683  -5.109  -5.044
   40    HG3  MET   5           1HG      MET   5 -13.343  -4.529  -5.171
   41    HE1  MET   5           3HE      MET   5 -13.124  -0.770  -5.483
   42    HE2  MET   5           1HE      MET   5 -13.605  -1.851  -4.166
   43    HE3  MET   5           2HE      MET   5 -14.067  -2.215  -5.826
   44    H    ALA   6           H        ALA   6 -13.759  -3.937  -0.808
   45    HA   ALA   6           HA       ALA   6 -13.481  -3.768   1.514
   46    HB1  ALA   6           1HB      ALA   6 -13.286  -6.785   1.425
   47    HB2  ALA   6           2HB      ALA   6 -14.804  -5.932   1.145
   48    HB3  ALA   6           3HB      ALA   6 -13.979  -5.776   2.696
   49    H    ALA   7           H        ALA   7 -11.032  -3.682  -0.123
   50    HA   ALA   7           HA       ALA   7  -9.055  -4.497   1.971
   51    HB1  ALA   7           1HB      ALA   7  -9.240  -6.200   0.145
   52    HB2  ALA   7           2HB      ALA   7  -7.640  -5.465   0.241
   53    HB3  ALA   7           3HB      ALA   7  -8.770  -4.957  -1.014
   54    H    SER   8           H        SER   8  -9.561  -2.642  -1.063
   55    HA   SER   8           HA       SER   8  -7.249  -0.940  -0.756
   56    HB2  SER   8           2HB      SER   8  -9.783  -0.345  -2.305
   57    HB3  SER   8           1HB      SER   8  -8.147   0.185  -2.668
   58    HG   SER   8           HG       SER   8  -8.568  -1.552  -3.977
   59    H    ALA   9           H        ALA   9  -7.427  -0.195   1.437
   60    HA   ALA   9           HA       ALA   9  -8.680   2.372   1.796
   61    HB1  ALA   9           1HB      ALA   9 -10.769   1.472   2.191
   62    HB2  ALA   9           2HB      ALA   9 -10.105   1.245   3.809
   63    HB3  ALA   9           3HB      ALA   9 -10.113  -0.096   2.665
   64    H    GLY  10           H        GLY  10  -8.037  -0.452   3.909
   65    HA2  GLY  10           2HA      GLY  10  -5.952   1.162   5.330
   66    HA3  GLY  10           1HA      GLY  10  -7.037   0.056   6.176
   67    H    GLY  11           H        GLY  11  -7.035  -2.194   4.671
   68    HA2  GLY  11           2HA      GLY  11  -4.601  -3.507   5.318
   69    HA3  GLY  11           1HA      GLY  11  -5.825  -4.143   4.221
   70    H    ALA  12           H        ALA  12  -5.769  -2.311   2.137
   71    HA   ALA  12           HA       ALA  12  -3.476  -3.116   0.608
   72    HB1  ALA  12           1HB      ALA  12  -4.425  -1.726  -1.082
   73    HB2  ALA  12           2HB      ALA  12  -5.188  -0.672   0.107
   74    HB3  ALA  12           3HB      ALA  12  -5.801  -2.306  -0.144
   75    H    VAL  13           H        VAL  13  -4.240  -0.058   2.303
   76    HA   VAL  13           HA       VAL  13  -1.931   1.439   1.545
   77    HB   VAL  13           HB       VAL  13  -3.770   1.442   3.957
   78   HG11  VAL  13          1HG1      VAL  13  -1.944   2.515   4.926
   79   HG12  VAL  13          2HG1      VAL  13  -2.764   3.876   4.160
   80   HG13  VAL  13          3HG1      VAL  13  -1.361   3.142   3.384
   81   HG21  VAL  13          3HG2      VAL  13  -4.679   3.447   2.872
   82   HG22  VAL  13          1HG2      VAL  13  -4.696   2.094   1.740
   83   HG23  VAL  13          2HG2      VAL  13  -3.453   3.340   1.609
   84    H    PHE  14           H        PHE  14  -2.445  -0.944   4.144
   85    HA   PHE  14           HA       PHE  14   0.135  -0.559   5.422
   86    HB2  PHE  14           2HB      PHE  14  -2.135  -1.636   6.229
   87    HB3  PHE  14           1HB      PHE  14  -1.458  -3.107   5.530
   88    HD1  PHE  14           2HD      PHE  14   0.585  -4.116   6.433
   89    HD2  PHE  14           1HD      PHE  14  -1.113  -0.580   8.181
   90    HE1  PHE  14           2HE      PHE  14   2.010  -4.424   8.438
   91    HE2  PHE  14           1HE      PHE  14   0.313  -0.887  10.186
   92    HZ   PHE  14           HZ       PHE  14   1.874  -2.809  10.315
   93    H    VAL  15           H        VAL  15  -1.087  -2.722   2.857
   94    HA   VAL  15           HA       VAL  15   1.131  -4.515   2.676
   95    HB   VAL  15           HB       VAL  15  -0.846  -3.441   0.630
   96   HG11  VAL  15          1HG1      VAL  15   1.216  -5.642   0.398
   97   HG12  VAL  15          2HG1      VAL  15   0.957  -4.275  -0.685
   98   HG13  VAL  15          3HG1      VAL  15  -0.220  -5.586  -0.624
   99   HG21  VAL  15          3HG2      VAL  15  -1.242  -5.098   2.801
  100   HG22  VAL  15          1HG2      VAL  15  -0.968  -6.253   1.498
  101   HG23  VAL  15          2HG2      VAL  15  -2.260  -5.062   1.363
  102    H    GLY  16           H        GLY  16   0.509  -1.395   1.016
  103    HA2  GLY  16           2HA      GLY  16   2.964  -1.317  -0.468
  104    HA3  GLY  16           1HA      GLY  16   1.971   0.090  -0.071
  105    H    LEU  17           H        LEU  17   2.066  -0.256   2.794
  106    HA   LEU  17           HA       LEU  17   4.433   1.203   3.485
  107    HB2  LEU  17           2HB      LEU  17   2.163   1.079   4.646
  108    HB3  LEU  17           1HB      LEU  17   2.674  -0.477   5.293
  109    HG   LEU  17           HG       LEU  17   4.778   0.813   6.126
  110   HD11  LEU  17          1HD1      LEU  17   4.213   3.214   6.653
  111   HD12  LEU  17          2HD1      LEU  17   2.814   3.060   5.591
  112   HD13  LEU  17          3HD1      LEU  17   4.443   2.892   4.935
  113   HD21  LEU  17          3HD2      LEU  17   1.979   1.009   7.243
  114   HD22  LEU  17          1HD2      LEU  17   3.351   1.690   8.116
  115   HD23  LEU  17          2HD2      LEU  17   3.300  -0.037   7.764
  116    H    VAL  18           H        VAL  18   3.576  -2.258   3.821
  117    HA   VAL  18           HA       VAL  18   5.922  -3.125   5.219
  118    HB   VAL  18           HB       VAL  18   3.961  -4.473   3.334
  119   HG11  VAL  18          1HG1      VAL  18   6.369  -5.585   4.746
  120   HG12  VAL  18          2HG1      VAL  18   5.736  -5.972   3.145
  121   HG13  VAL  18          3HG1      VAL  18   4.926  -6.588   4.585
  122   HG21  VAL  18          3HG2      VAL  18   3.220  -3.598   5.605
  123   HG22  VAL  18          1HG2      VAL  18   4.330  -4.762   6.329
  124   HG23  VAL  18          2HG2      VAL  18   2.972  -5.326   5.357
  125    H    LEU  19           H        LEU  19   5.238  -2.813   1.718
  126    HA   LEU  19           HA       LEU  19   7.722  -3.940   0.789
  127    HB2  LEU  19           2HB      LEU  19   5.350  -3.055  -0.316
  128    HB3  LEU  19           1HB      LEU  19   6.486  -1.820  -0.849
  129    HG   LEU  19           HG       LEU  19   6.398  -3.587  -2.514
  130   HD11  LEU  19          1HD1      LEU  19   8.964  -3.915  -0.938
  131   HD12  LEU  19          2HD1      LEU  19   8.619  -2.535  -1.979
  132   HD13  LEU  19          3HD1      LEU  19   8.741  -4.151  -2.671
  133   HD21  LEU  19          3HD2      LEU  19   5.620  -5.370  -0.920
  134   HD22  LEU  19          1HD2      LEU  19   7.275  -5.493  -0.322
  135   HD23  LEU  19          2HD2      LEU  19   6.911  -5.902  -1.997
  136    H    LEU  20           H        LEU  20   6.751  -0.621   1.681
  137    HA   LEU  20           HA       LEU  20   9.092   0.755   0.761
  138    HB2  LEU  20           2HB      LEU  20   6.801   1.615   1.627
  139    HB3  LEU  20           1HB      LEU  20   7.506   1.464   3.236
  140    HG   LEU  20           HG       LEU  20   9.083   2.902   1.134
  141   HD11  LEU  20          1HD1      LEU  20   6.772   4.128   2.670
  142   HD12  LEU  20          2HD1      LEU  20   6.816   3.851   0.929
  143   HD13  LEU  20          3HD1      LEU  20   7.922   5.009   1.665
  144   HD21  LEU  20          3HD2      LEU  20  10.271   2.832   3.129
  145   HD22  LEU  20          1HD2      LEU  20   8.812   2.849   4.121
  146   HD23  LEU  20          2HD2      LEU  20   9.380   4.337   3.360
  147    H    THR  21           H        THR  21   8.339  -0.844   3.865
  148    HA   THR  21           HA       THR  21  10.870  -0.153   5.136
  149    HB   THR  21           HB       THR  21   8.891  -2.353   5.816
  150    HG1  THR  21           1HG      THR  21   7.560  -0.823   6.318
  151   HG21  THR  21          3HG2      THR  21  10.545  -2.682   7.360
  152   HG22  THR  21          1HG2      THR  21   9.735  -1.344   8.172
  153   HG23  THR  21          2HG2      THR  21  11.172  -1.043   7.196
  154    H    LEU  22           H        LEU  22   9.808  -2.713   2.991
  155    HA   LEU  22           HA       LEU  22  11.586  -4.826   3.599
  156    HB2  LEU  22           2HB      LEU  22   9.588  -4.527   1.921
  157    HB3  LEU  22           1HB      LEU  22  10.852  -4.067   0.783
  158    HG   LEU  22           HG       LEU  22  11.252  -6.558   2.390
  159   HD11  LEU  22          1HD1      LEU  22   9.468  -6.387  -0.059
  160   HD12  LEU  22          2HD1      LEU  22   8.916  -6.719   1.582
  161   HD13  LEU  22          3HD1      LEU  22   9.966  -7.870   0.755
  162   HD21  LEU  22          3HD2      LEU  22  13.043  -5.900   0.923
  163   HD22  LEU  22          1HD2      LEU  22  11.923  -5.593  -0.405
  164   HD23  LEU  22          2HD2      LEU  22  12.221  -7.246   0.132
  165    H    SER  23           H        SER  23  12.076  -2.084   1.331
  166    HA   SER  23           HA       SER  23  14.019  -1.095   0.485
  167    HB2  SER  23           2HB      SER  23  14.567  -1.929   3.143
  168    HB3  SER  23           1HB      SER  23  15.985  -2.336   2.186
  169    HG   SER  23           HG       SER  23  16.000  -0.165   2.992
  170    HA   PRO  24           HA       PRO  24  15.016  -4.692  -2.106
  171    HB2  PRO  24           2HB      PRO  24  15.708  -3.224  -4.312
  172    HB3  PRO  24           1HB      PRO  24  14.027  -3.613  -3.890
  173    HG2  PRO  24           2HG      PRO  24  15.561  -1.107  -3.388
  174    HG3  PRO  24           1HG      PRO  24  13.893  -1.312  -3.952
  175    HD2  PRO  24           2HD      PRO  24  14.454  -0.693  -1.403
  176    HD3  PRO  24           1HD      PRO  24  13.079  -1.737  -1.839
  177    H    HIS  25           H        HIS  25  17.036  -5.575  -2.750
  178    HA   HIS  25           HA       HIS  25  19.444  -4.121  -1.734
  179    HB2  HIS  25           2HB      HIS  25  18.512  -6.522  -1.052
  180    HB3  HIS  25           1HB      HIS  25  19.420  -7.021  -2.478
  181    HD1  HIS  25           1HD      HIS  25  21.965  -5.549  -2.407
  182    HD2  HIS  25           2HD      HIS  25  20.153  -6.819   1.128
  183    HE1  HIS  25           1HE      HIS  25  23.789  -5.627  -0.655
  184    H    TYR  26           H        TYR  26  18.349  -6.082  -4.536
  185    HA   TYR  26           HA       TYR  26  20.769  -5.709  -6.082
  186    HB2  TYR  26           2HB      TYR  26  18.058  -6.857  -6.410
  187    HB3  TYR  26           1HB      TYR  26  18.807  -6.293  -7.901
  188    HD1  TYR  26           1HD      TYR  26  21.165  -7.102  -8.467
  189    HD2  TYR  26           2HD      TYR  26  18.751  -8.887  -5.394
  190    HE1  TYR  26           1HE      TYR  26  22.587  -9.131  -8.526
  191    HE2  TYR  26           2HE      TYR  26  20.174 -10.916  -5.455
  192    HH   TYR  26           HH       TYR  26  22.969 -11.171  -6.385
  193    H    LYS  27           H        LYS  27  17.562  -4.102  -6.155
  194    HA   LYS  27           HA       LYS  27  18.653  -2.048  -8.031
  195    HB2  LYS  27           2HB      LYS  27  16.495  -3.437  -8.388
  196    HB3  LYS  27           1HB      LYS  27  15.788  -2.406  -7.143
  197    HG2  LYS  27           2HG      LYS  27  16.851  -0.477  -8.654
  198    HG3  LYS  27           1HG      LYS  27  16.669  -1.703  -9.911
  199    HD2  LYS  27           2HD      LYS  27  14.296  -1.909  -9.451
  200    HD3  LYS  27           1HD      LYS  27  14.433  -0.835  -8.057
  201    HE2  LYS  27           2HE      LYS  27  15.265   0.965  -9.657
  202    HE3  LYS  27           1HE      LYS  27  14.775  -0.109 -10.983
  203    HZ1  LYS  27           3HZ      LYS  27  13.000   0.762  -8.758
  204    HZ2  LYS  27           1HZ      LYS  27  12.552  -0.212 -10.074
  205    HZ3  LYS  27           2HZ      LYS  27  12.981   1.412 -10.328
  Start of MODEL    3
    1    H1   MET   1           1HT      MET   1  -6.206  -7.924  13.287
    2    H2   MET   1           2HT      MET   1  -6.801  -6.349  13.528
    3    H3   MET   1           3HT      MET   1  -7.233  -7.221  12.137
    4    HA   MET   1           HA       MET   1  -8.491  -8.805  13.448
    5    HB2  MET   1           2HB      MET   1  -6.968  -7.360  15.554
    6    HB3  MET   1           1HB      MET   1  -8.614  -7.827  15.982
    7    HG2  MET   1           2HG      MET   1  -8.027 -10.161  15.105
    8    HG3  MET   1           1HG      MET   1  -6.347  -9.624  15.100
    9    HE1  MET   1           2HE      MET   1  -4.833 -10.107  17.195
   10    HE2  MET   1           3HE      MET   1  -5.288  -9.158  18.605
   11    HE3  MET   1           1HE      MET   1  -5.286  -8.418  16.995
   12    H    ASP   2           H        ASP   2 -10.649  -8.227  14.522
   13    HA   ASP   2           HA       ASP   2 -12.643  -7.007  14.536
   14    HB2  ASP   2           2HB      ASP   2 -10.656  -5.492  15.706
   15    HB3  ASP   2           1HB      ASP   2 -11.320  -4.378  14.512
   16    H    ARG   3           H        ARG   3 -13.373  -4.563  13.384
   17    HA   ARG   3           HA       ARG   3 -12.773  -4.969  10.469
   18    HB2  ARG   3           2HB      ARG   3 -15.331  -4.585  12.011
   19    HB3  ARG   3           1HB      ARG   3 -15.246  -4.092  10.321
   20    HG2  ARG   3           2HG      ARG   3 -14.064  -6.677  10.501
   21    HG3  ARG   3           1HG      ARG   3 -15.587  -6.733  11.389
   22    HD2  ARG   3           2HD      ARG   3 -16.869  -6.215   9.506
   23    HD3  ARG   3           1HD      ARG   3 -15.519  -5.419   8.679
   24    HE   ARG   3           HE       ARG   3 -16.091  -8.259   8.593
   25   HH11  ARG   3          1HH1      ARG   3 -14.469  -6.321   6.722
   26   HH12  ARG   3          2HH1      ARG   3 -12.930  -7.113   6.742
   27   HH21  ARG   3          1HH2      ARG   3 -13.721  -9.115   9.489
   28   HH22  ARG   3          2HH2      ARG   3 -12.502  -8.711   8.329
   29    H    GLU   4           H        GLU   4 -14.638  -2.496  12.267
   30    HA   GLU   4           HA       GLU   4 -14.549  -0.155  12.230
   31    HB2  GLU   4           2HB      GLU   4 -11.695  -1.092  12.360
   32    HB3  GLU   4           1HB      GLU   4 -12.054   0.632  12.307
   33    HG2  GLU   4           2HG      GLU   4 -13.831  -0.181  14.207
   34    HG3  GLU   4           1HG      GLU   4 -12.515  -1.321  14.484
   35    H    MET   5           H        MET   5 -14.659  -1.554   9.539
   36    HA   MET   5           HA       MET   5 -14.498  -1.044   7.254
   37    HB2  MET   5           2HB      MET   5 -14.754   1.600   8.671
   38    HB3  MET   5           1HB      MET   5 -14.724   1.512   6.912
   39    HG2  MET   5           2HG      MET   5 -16.619  -0.186   8.540
   40    HG3  MET   5           1HG      MET   5 -17.039   1.453   8.047
   41    HE1  MET   5           3HE      MET   5 -19.142   0.067   5.331
   42    HE2  MET   5           1HE      MET   5 -18.789   1.426   6.412
   43    HE3  MET   5           2HE      MET   5 -19.112  -0.173   7.074
   44    H    ALA   6           H        ALA   6 -12.116  -1.882   7.689
   45    HA   ALA   6           HA       ALA   6 -10.091   0.246   7.130
   46    HB1  ALA   6           1HB      ALA   6  -9.878  -1.317   9.079
   47    HB2  ALA   6           2HB      ALA   6  -8.511  -1.386   7.967
   48    HB3  ALA   6           3HB      ALA   6  -9.738  -2.652   7.934
   49    H    ALA   7           H        ALA   7 -12.006  -1.475   5.155
   50    HA   ALA   7           HA       ALA   7 -10.185  -2.928   3.438
   51    HB1  ALA   7           1HB      ALA   7 -12.161  -2.763   1.861
   52    HB2  ALA   7           2HB      ALA   7 -12.950  -1.741   3.063
   53    HB3  ALA   7           3HB      ALA   7 -12.548  -3.415   3.453
   54    H    SER   8           H        SER   8 -11.534   0.382   3.344
   55    HA   SER   8           HA       SER   8  -9.857   1.033   0.968
   56    HB2  SER   8           2HB      SER   8 -12.069   2.491   2.455
   57    HB3  SER   8           1HB      SER   8 -11.247   3.128   1.036
   58    HG   SER   8           HG       SER   8 -13.187   2.012   0.500
   59    H    ALA   9           H        ALA   9  -7.993   2.207   1.230
   60    HA   ALA   9           HA       ALA   9  -6.239   3.379   2.248
   61    HB1  ALA   9           1HB      ALA   9  -8.486   4.598   3.875
   62    HB2  ALA   9           2HB      ALA   9  -8.126   5.056   2.211
   63    HB3  ALA   9           3HB      ALA   9  -6.935   5.337   3.479
   64    H    GLY  10           H        GLY  10  -6.829   0.778   3.372
   65    HA2  GLY  10           2HA      GLY  10  -5.724   1.184   6.102
   66    HA3  GLY  10           1HA      GLY  10  -7.153   0.164   5.923
   67    H    GLY  11           H        GLY  11  -6.962  -1.817   4.711
   68    HA2  GLY  11           2HA      GLY  11  -4.584  -3.312   5.165
   69    HA3  GLY  11           1HA      GLY  11  -5.885  -3.802   4.080
   70    H    ALA  12           H        ALA  12  -5.790  -1.772   2.171
   71    HA   ALA  12           HA       ALA  12  -3.706  -2.606   0.408
   72    HB1  ALA  12           1HB      ALA  12  -5.840  -1.593  -0.290
   73    HB2  ALA  12           2HB      ALA  12  -4.484  -0.670  -0.938
   74    HB3  ALA  12           3HB      ALA  12  -5.371  -0.068   0.463
   75    H    VAL  13           H        VAL  13  -3.973   0.294   2.496
   76    HA   VAL  13           HA       VAL  13  -1.508   1.545   1.708
   77    HB   VAL  13           HB       VAL  13  -3.124   1.629   4.286
   78   HG11  VAL  13          1HG1      VAL  13  -1.035   2.517   4.917
   79   HG12  VAL  13          2HG1      VAL  13  -1.949   3.944   4.434
   80   HG13  VAL  13          3HG1      VAL  13  -0.761   3.244   3.334
   81   HG21  VAL  13          3HG2      VAL  13  -4.339   2.377   2.259
   82   HG22  VAL  13          1HG2      VAL  13  -3.025   3.494   1.888
   83   HG23  VAL  13          2HG2      VAL  13  -4.005   3.734   3.333
   84    H    PHE  14           H        PHE  14  -2.307  -0.808   4.274
   85    HA   PHE  14           HA       PHE  14   0.248  -0.928   5.550
   86    HB2  PHE  14           2HB      PHE  14  -2.098  -1.870   6.186
   87    HB3  PHE  14           1HB      PHE  14  -1.622  -3.272   5.228
   88    HD1  PHE  14           1HD      PHE  14  -0.900  -1.282   8.251
   89    HD2  PHE  14           2HD      PHE  14   0.181  -4.743   5.946
   90    HE1  PHE  14           1HE      PHE  14   0.436  -2.133  10.156
   91    HE2  PHE  14           2HE      PHE  14   1.518  -5.595   7.854
   92    HZ   PHE  14           HZ       PHE  14   1.645  -4.290   9.960
   93    H    VAL  15           H        VAL  15  -1.076  -2.734   2.752
   94    HA   VAL  15           HA       VAL  15   1.090  -4.584   2.419
   95    HB   VAL  15           HB       VAL  15  -0.841  -3.326   0.432
   96   HG11  VAL  15          1HG1      VAL  15   0.871  -4.265  -0.908
   97   HG12  VAL  15          2HG1      VAL  15  -0.350  -5.536  -0.817
   98   HG13  VAL  15          3HG1      VAL  15   1.097  -5.630   0.187
   99   HG21  VAL  15          3HG2      VAL  15  -1.338  -5.028   2.579
  100   HG22  VAL  15          1HG2      VAL  15  -1.211  -6.131   1.208
  101   HG23  VAL  15          2HG2      VAL  15  -2.382  -4.813   1.176
  102    H    GLY  16           H        GLY  16   0.520  -1.345   0.979
  103    HA2  GLY  16           2HA      GLY  16   2.991  -1.271  -0.510
  104    HA3  GLY  16           1HA      GLY  16   1.992   0.130  -0.112
  105    H    LEU  17           H        LEU  17   2.035  -0.216   2.744
  106    HA   LEU  17           HA       LEU  17   4.400   1.219   3.482
  107    HB2  LEU  17           2HB      LEU  17   2.210   1.257   4.653
  108    HB3  LEU  17           1HB      LEU  17   2.458  -0.414   5.152
  109    HG   LEU  17           HG       LEU  17   4.776   1.170   5.857
  110   HD11  LEU  17          1HD1      LEU  17   3.719   2.646   7.514
  111   HD12  LEU  17          2HD1      LEU  17   2.122   2.126   6.978
  112   HD13  LEU  17          3HD1      LEU  17   3.161   3.047   5.890
  113   HD21  LEU  17          3HD2      LEU  17   4.121  -0.988   6.869
  114   HD22  LEU  17          1HD2      LEU  17   2.659  -0.243   7.516
  115   HD23  LEU  17          2HD2      LEU  17   4.242   0.270   8.098
  116    H    VAL  18           H        VAL  18   3.517  -2.239   3.916
  117    HA   VAL  18           HA       VAL  18   5.887  -3.060   5.306
  118    HB   VAL  18           HB       VAL  18   3.925  -4.488   3.479
  119   HG11  VAL  18          1HG1      VAL  18   5.781  -5.934   3.389
  120   HG12  VAL  18          2HG1      VAL  18   4.861  -6.558   4.758
  121   HG13  VAL  18          3HG1      VAL  18   6.280  -5.548   5.036
  122   HG21  VAL  18          3HG2      VAL  18   4.233  -4.796   6.466
  123   HG22  VAL  18          1HG2      VAL  18   2.827  -5.147   5.461
  124   HG23  VAL  18          2HG2      VAL  18   3.279  -3.475   5.792
  125    H    LEU  19           H        LEU  19   5.122  -2.889   1.830
  126    HA   LEU  19           HA       LEU  19   7.530  -4.055   0.795
  127    HB2  LEU  19           2HB      LEU  19   5.336  -3.639  -0.371
  128    HB3  LEU  19           1HB      LEU  19   5.735  -1.924  -0.408
  129    HG   LEU  19           HG       LEU  19   7.969  -3.454  -1.414
  130   HD11  LEU  19          1HD1      LEU  19   6.915  -4.407  -3.412
  131   HD12  LEU  19          2HD1      LEU  19   5.328  -3.895  -2.839
  132   HD13  LEU  19          3HD1      LEU  19   6.225  -5.135  -1.962
  133   HD21  LEU  19          3HD2      LEU  19   6.088  -1.666  -2.972
  134   HD22  LEU  19          1HD2      LEU  19   7.819  -1.901  -3.213
  135   HD23  LEU  19          2HD2      LEU  19   7.238  -1.013  -1.807
  136    H    LEU  20           H        LEU  20   6.687  -0.713   1.700
  137    HA   LEU  20           HA       LEU  20   9.047   0.561   0.646
  138    HB2  LEU  20           2HB      LEU  20   6.736   1.487   1.441
  139    HB3  LEU  20           1HB      LEU  20   7.477   1.510   3.040
  140    HG   LEU  20           HG       LEU  20   9.430   2.776   1.894
  141   HD11  LEU  20          1HD1      LEU  20   8.790   2.381  -0.421
  142   HD12  LEU  20          2HD1      LEU  20   8.668   4.109  -0.087
  143   HD13  LEU  20          3HD1      LEU  20   7.211   3.118  -0.147
  144   HD21  LEU  20          3HD2      LEU  20   7.841   3.809   3.481
  145   HD22  LEU  20          1HD2      LEU  20   6.698   4.078   2.164
  146   HD23  LEU  20          2HD2      LEU  20   8.243   4.926   2.178
  147    H    THR  21           H        THR  21   8.215  -0.627   3.931
  148    HA   THR  21           HA       THR  21  10.685   0.114   5.197
  149    HB   THR  21           HB       THR  21   8.794  -2.178   5.849
  150    HG1  THR  21           1HG      THR  21   7.422  -0.650   6.243
  151   HG21  THR  21          3HG2      THR  21   9.760  -2.279   7.920
  152   HG22  THR  21          1HG2      THR  21  10.144  -0.558   7.942
  153   HG23  THR  21          2HG2      THR  21  11.163  -1.678   7.037
  154    H    LEU  22           H        LEU  22   9.643  -2.912   3.581
  155    HA   LEU  22           HA       LEU  22  12.012  -4.443   4.118
  156    HB2  LEU  22           2HB      LEU  22   9.589  -4.978   3.103
  157    HB3  LEU  22           1HB      LEU  22  10.468  -4.813   1.583
  158    HG   LEU  22           HG       LEU  22  12.226  -6.381   2.786
  159   HD11  LEU  22          1HD1      LEU  22   9.672  -7.300   4.117
  160   HD12  LEU  22          2HD1      LEU  22  10.827  -6.250   4.936
  161   HD13  LEU  22          3HD1      LEU  22  11.317  -7.861   4.413
  162   HD21  LEU  22          3HD2      LEU  22  10.994  -8.350   1.864
  163   HD22  LEU  22          1HD2      LEU  22  11.009  -6.984   0.747
  164   HD23  LEU  22          2HD2      LEU  22   9.560  -7.339   1.688
  165    H    SER  23           H        SER  23  11.187  -2.165   1.498
  166    HA   SER  23           HA       SER  23  14.011  -2.372   0.497
  167    HB2  SER  23           2HB      SER  23  11.673  -3.031  -0.807
  168    HB3  SER  23           1HB      SER  23  11.902  -1.364  -1.316
  169    HG   SER  23           HG       SER  23  13.747  -3.527  -1.512
  170    HA   PRO  24           HA       PRO  24  13.202   1.953   1.953
  171    HB2  PRO  24           2HB      PRO  24  15.500   2.240   3.405
  172    HB3  PRO  24           1HB      PRO  24  14.018   1.524   4.069
  173    HG2  PRO  24           2HG      PRO  24  16.507   0.214   3.184
  174    HG3  PRO  24           1HG      PRO  24  15.362  -0.261   4.445
  175    HD2  PRO  24           2HD      PRO  24  15.540  -1.380   1.907
  176    HD3  PRO  24           1HD      PRO  24  14.167  -1.540   3.022
  177    H    HIS  25           H        HIS  25  13.586   2.161  -0.447
  178    HA   HIS  25           HA       HIS  25  14.685   3.105  -2.284
  179    HB2  HIS  25           2HB      HIS  25  15.937   4.360   0.136
  180    HB3  HIS  25           1HB      HIS  25  16.619   4.712  -1.448
  181    HD1  HIS  25           1HD      HIS  25  13.426   5.075   0.540
  182    HD2  HIS  25           2HD      HIS  25  15.031   6.368  -3.085
  183    HE1  HIS  25           1HE      HIS  25  11.843   6.835  -0.357
  184    H    TYR  26           H        TYR  26  15.782   0.489  -0.983
  185    HA   TYR  26           HA       TYR  26  17.971   0.092  -2.823
  186    HB2  TYR  26           2HB      TYR  26  19.777   0.506  -1.498
  187    HB3  TYR  26           1HB      TYR  26  18.660   1.458  -0.537
  188    HD1  TYR  26           2HD      TYR  26  17.696   0.518   1.561
  189    HD2  TYR  26           1HD      TYR  26  20.637  -1.611  -0.730
  190    HE1  TYR  26           2HE      TYR  26  18.125  -0.975   3.495
  191    HE2  TYR  26           1HE      TYR  26  21.066  -3.102   1.201
  192    HH   TYR  26           HH       TYR  26  20.625  -2.624   4.021
  193    H    LYS  27           H        LYS  27  18.469  -2.140  -3.005
  194    HA   LYS  27           HA       LYS  27  16.904  -3.987  -1.232
  195    HB2  LYS  27           2HB      LYS  27  16.358  -5.269  -3.216
  196    HB3  LYS  27           1HB      LYS  27  15.936  -3.586  -3.505
  197    HG2  LYS  27           2HG      LYS  27  17.299  -3.516  -5.298
  198    HG3  LYS  27           1HG      LYS  27  18.671  -4.032  -4.316
  199    HD2  LYS  27           2HD      LYS  27  17.568  -6.407  -4.515
  200    HD3  LYS  27           1HD      LYS  27  16.758  -5.708  -5.917
  201    HE2  LYS  27           2HE      LYS  27  19.570  -5.013  -5.983
  202    HE3  LYS  27           1HE      LYS  27  19.382  -6.769  -5.829
  203    HZ1  LYS  27           3HZ      LYS  27  19.267  -6.051  -8.156
  204    HZ2  LYS  27           1HZ      LYS  27  17.936  -5.067  -7.795
  205    HZ3  LYS  27           2HZ      LYS  27  17.807  -6.757  -7.649
  Start of MODEL    4
    1    H1   MET   1           1HT      MET   1  -8.111 -13.968   8.231
    2    H2   MET   1           2HT      MET   1  -7.047 -14.596   7.068
    3    H3   MET   1           3HT      MET   1  -8.362 -15.525   7.612
    4    HA   MET   1           HA       MET   1  -8.504 -13.031   5.982
    5    HB2  MET   1           2HB      MET   1  -8.513 -15.955   5.494
    6    HB3  MET   1           1HB      MET   1  -9.761 -15.054   4.635
    7    HG2  MET   1           2HG      MET   1  -8.001 -14.891   3.131
    8    HG3  MET   1           1HG      MET   1  -7.767 -13.419   4.069
    9    HE1  MET   1           2HE      MET   1  -5.265 -13.972   2.634
   10    HE2  MET   1           3HE      MET   1  -4.117 -13.899   3.967
   11    HE3  MET   1           1HE      MET   1  -5.534 -12.836   3.952
   12    H    ASP   2           H        ASP   2 -10.788 -12.572   5.297
   13    HA   ASP   2           HA       ASP   2 -12.990 -13.791   6.800
   14    HB2  ASP   2           2HB      ASP   2 -11.593 -12.089   8.261
   15    HB3  ASP   2           1HB      ASP   2 -12.529 -10.885   7.377
   16    H    ARG   3           H        ARG   3 -12.268 -10.599   5.262
   17    HA   ARG   3           HA       ARG   3 -14.723 -10.976   3.566
   18    HB2  ARG   3           2HB      ARG   3 -13.449  -8.636   4.943
   19    HB3  ARG   3           1HB      ARG   3 -14.418  -8.357   3.499
   20    HG2  ARG   3           2HG      ARG   3 -16.364  -8.794   4.573
   21    HG3  ARG   3           1HG      ARG   3 -15.688 -10.183   5.425
   22    HD2  ARG   3           2HD      ARG   3 -14.976  -7.341   6.204
   23    HD3  ARG   3           1HD      ARG   3 -16.363  -8.197   6.905
   24    HE   ARG   3           HE       ARG   3 -14.553 -10.065   7.362
   25   HH11  ARG   3          1HH2      ARG   3 -14.862  -8.269   9.632
   26   HH12  ARG   3          2HH2      ARG   3 -13.277  -7.612   9.861
   27   HH21  ARG   3          1HH1      ARG   3 -12.163  -8.530   6.691
   28   HH22  ARG   3          2HH1      ARG   3 -11.737  -7.757   8.182
   29    H    GLU   4           H        GLU   4 -11.602  -9.206   3.500
   30    HA   GLU   4           HA       GLU   4 -10.074  -8.778   1.782
   31    HB2  GLU   4           2HB      GLU   4 -11.348 -11.350   0.819
   32    HB3  GLU   4           1HB      GLU   4  -9.965 -10.608   0.022
   33    HG2  GLU   4           2HG      GLU   4  -8.555 -11.443   1.562
   34    HG3  GLU   4           1HG      GLU   4  -9.501 -10.743   2.875
   35    H    MET   5           H        MET   5 -12.956  -7.734   1.582
   36    HA   MET   5           HA       MET   5 -12.687  -6.511  -1.045
   37    HB2  MET   5           2HB      MET   5 -14.780  -7.466  -1.980
   38    HB3  MET   5           1HB      MET   5 -13.546  -8.690  -1.712
   39    HG2  MET   5           2HG      MET   5 -14.761  -8.973   0.619
   40    HG3  MET   5           1HG      MET   5 -16.115  -8.229  -0.231
   41    HE1  MET   5           3HE      MET   5 -17.529  -9.270  -1.974
   42    HE2  MET   5           1HE      MET   5 -17.812  -9.992  -0.380
   43    HE3  MET   5           2HE      MET   5 -17.787 -11.004  -1.820
   44    H    ALA   6           H        ALA   6 -14.953  -7.156   1.660
   45    HA   ALA   6           HA       ALA   6 -16.733  -4.983   1.302
   46    HB1  ALA   6           1HB      ALA   6 -17.152  -6.805   2.835
   47    HB2  ALA   6           2HB      ALA   6 -17.100  -5.313   3.773
   48    HB3  ALA   6           3HB      ALA   6 -15.715  -6.404   3.777
   49    H    ALA   7           H        ALA   7 -13.724  -5.074   3.278
   50    HA   ALA   7           HA       ALA   7 -13.881  -2.105   3.581
   51    HB1  ALA   7           1HB      ALA   7 -13.665  -3.557   5.585
   52    HB2  ALA   7           2HB      ALA   7 -12.277  -2.486   5.395
   53    HB3  ALA   7           3HB      ALA   7 -12.144  -4.185   4.946
   54    H    SER   8           H        SER   8 -13.171  -1.620   1.431
   55    HA   SER   8           HA       SER   8 -10.508  -2.550   0.534
   56    HB2  SER   8           2HB      SER   8 -11.158  -1.147  -1.478
   57    HB3  SER   8           1HB      SER   8 -12.275  -2.448  -1.092
   58    HG   SER   8           HG       SER   8 -12.524   0.339  -0.699
   59    H    ALA   9           H        ALA   9  -8.977  -0.824  -0.312
   60    HA   ALA   9           HA       ALA   9  -7.645   1.075  -0.073
   61    HB1  ALA   9           1HB      ALA   9  -9.741   2.444   1.555
   62    HB2  ALA   9           2HB      ALA   9 -10.114   2.032  -0.119
   63    HB3  ALA   9           3HB      ALA   9  -8.741   3.074   0.247
   64    H    GLY  10           H        GLY  10  -8.512  -0.843   2.554
   65    HA2  GLY  10           2HA      GLY  10  -6.925   0.776   4.493
   66    HA3  GLY  10           1HA      GLY  10  -7.979  -0.575   4.917
   67    H    GLY  11           H        GLY  11  -7.294  -2.703   3.722
   68    HA2  GLY  11           2HA      GLY  11  -4.779  -3.552   4.691
   69    HA3  GLY  11           1HA      GLY  11  -5.711  -4.406   3.463
   70    H    ALA  12           H        ALA  12  -5.673  -2.342   1.457
   71    HA   ALA  12           HA       ALA  12  -3.261  -2.901   0.057
   72    HB1  ALA  12           1HB      ALA  12  -5.177  -0.557  -0.171
   73    HB2  ALA  12           2HB      ALA  12  -5.372  -2.125  -0.956
   74    HB3  ALA  12           3HB      ALA  12  -4.037  -1.067  -1.417
   75    H    VAL  13           H        VAL  13  -4.141  -0.042   2.033
   76    HA   VAL  13           HA       VAL  13  -1.774   1.500   1.589
   77    HB   VAL  13           HB       VAL  13  -3.746   1.310   3.893
   78   HG11  VAL  13          1HG1      VAL  13  -1.949   2.365   4.954
   79   HG12  VAL  13          2HG1      VAL  13  -2.831   3.737   4.285
   80   HG13  VAL  13          3HG1      VAL  13  -1.391   3.132   3.467
   81   HG21  VAL  13          3HG2      VAL  13  -3.423   3.420   1.738
   82   HG22  VAL  13          1HG2      VAL  13  -4.755   3.258   2.883
   83   HG23  VAL  13          2HG2      VAL  13  -4.540   2.061   1.607
   84    H    PHE  14           H        PHE  14  -2.534  -1.015   4.012
   85    HA   PHE  14           HA       PHE  14  -0.069  -0.803   5.502
   86    HB2  PHE  14           2HB      PHE  14  -2.315  -1.898   6.124
   87    HB3  PHE  14           1HB      PHE  14  -1.789  -3.270   5.152
   88    HD1  PHE  14           2HD      PHE  14  -1.088  -1.263   8.180
   89    HD2  PHE  14           1HD      PHE  14   0.014  -4.722   5.883
   90    HE1  PHE  14           2HE      PHE  14   0.271  -2.092  10.080
   91    HE2  PHE  14           1HE      PHE  14   1.373  -5.550   7.784
   92    HZ   PHE  14           HZ       PHE  14   1.502  -4.236   9.882
   93    H    VAL  15           H        VAL  15  -1.083  -2.844   2.737
   94    HA   VAL  15           HA       VAL  15   1.236  -4.508   2.567
   95    HB   VAL  15           HB       VAL  15  -0.729  -3.474   0.491
   96   HG11  VAL  15          1HG1      VAL  15   1.352  -4.246  -0.610
   97   HG12  VAL  15          2HG1      VAL  15   0.008  -5.342  -0.930
   98   HG13  VAL  15          3HG1      VAL  15   1.235  -5.779   0.258
   99   HG21  VAL  15          3HG2      VAL  15  -1.298  -5.055   2.574
  100   HG22  VAL  15          1HG2      VAL  15  -0.647  -6.290   1.497
  101   HG23  VAL  15          2HG2      VAL  15  -2.029  -5.320   0.994
  102    H    GLY  16           H        GLY  16   0.552  -1.298   1.141
  103    HA2  GLY  16           2HA      GLY  16   2.979  -1.090  -0.384
  104    HA3  GLY  16           1HA      GLY  16   1.963   0.266   0.110
  105    H    LEU  17           H        LEU  17   2.122  -0.131   2.941
  106    HA   LEU  17           HA       LEU  17   4.566   1.255   3.565
  107    HB2  LEU  17           2HB      LEU  17   2.221   1.105   4.741
  108    HB3  LEU  17           1HB      LEU  17   2.928  -0.280   5.571
  109    HG   LEU  17           HG       LEU  17   4.891   1.245   6.165
  110   HD11  LEU  17          1HD1      LEU  17   2.895   3.314   5.194
  111   HD12  LEU  17          2HD1      LEU  17   4.511   3.023   4.552
  112   HD13  LEU  17          3HD1      LEU  17   4.314   3.689   6.173
  113   HD21  LEU  17          3HD2      LEU  17   3.599   2.351   8.012
  114   HD22  LEU  17          1HD2      LEU  17   3.222   0.639   7.832
  115   HD23  LEU  17          2HD2      LEU  17   2.107   1.856   7.213
  116    H    VAL  18           H        VAL  18   3.575  -2.162   3.962
  117    HA   VAL  18           HA       VAL  18   5.916  -3.084   5.350
  118    HB   VAL  18           HB       VAL  18   3.987  -4.478   3.450
  119   HG11  VAL  18          1HG1      VAL  18   5.781  -5.731   5.549
  120   HG12  VAL  18          2HG1      VAL  18   6.154  -5.714   3.826
  121   HG13  VAL  18          3HG1      VAL  18   4.728  -6.569   4.410
  122   HG21  VAL  18          3HG2      VAL  18   3.818  -5.024   6.333
  123   HG22  VAL  18          1HG2      VAL  18   2.538  -4.619   5.190
  124   HG23  VAL  18          2HG2      VAL  18   3.493  -3.338   5.931
  125    H    LEU  19           H        LEU  19   5.147  -2.809   1.874
  126    HA   LEU  19           HA       LEU  19   7.565  -4.021   0.874
  127    HB2  LEU  19           2HB      LEU  19   5.257  -3.421  -0.231
  128    HB3  LEU  19           1HB      LEU  19   6.023  -1.865  -0.555
  129    HG   LEU  19           HG       LEU  19   7.983  -3.249  -1.522
  130   HD11  LEU  19          1HD1      LEU  19   5.767  -5.320  -1.462
  131   HD12  LEU  19          2HD1      LEU  19   7.345  -5.436  -0.683
  132   HD13  LEU  19          3HD1      LEU  19   7.227  -5.462  -2.441
  133   HD21  LEU  19          3HD2      LEU  19   5.255  -3.137  -2.846
  134   HD22  LEU  19          1HD2      LEU  19   6.746  -3.519  -3.706
  135   HD23  LEU  19          2HD2      LEU  19   6.541  -1.936  -2.959
  136    H    LEU  20           H        LEU  20   6.682  -0.651   1.663
  137    HA   LEU  20           HA       LEU  20   8.997   0.676   0.649
  138    HB2  LEU  20           2HB      LEU  20   6.804   1.641   1.506
  139    HB3  LEU  20           1HB      LEU  20   7.410   1.370   3.139
  140    HG   LEU  20           HG       LEU  20   9.340   2.756   1.408
  141   HD11  LEU  20          1HD1      LEU  20   6.733   4.134   2.124
  142   HD12  LEU  20          2HD1      LEU  20   7.250   3.710   0.491
  143   HD13  LEU  20          3HD1      LEU  20   8.150   4.909   1.418
  144   HD21  LEU  20          3HD2      LEU  20   8.076   3.533   4.057
  145   HD22  LEU  20          1HD2      LEU  20   9.597   4.128   3.393
  146   HD23  LEU  20          2HD2      LEU  20   9.459   2.447   3.910
  147    H    THR  21           H        THR  21   8.361  -0.837   3.828
  148    HA   THR  21           HA       THR  21  10.899  -0.136   5.033
  149    HB   THR  21           HB       THR  21   8.969  -2.414   5.622
  150    HG1  THR  21           1HG      THR  21   7.711  -0.914   6.346
  151   HG21  THR  21          3HG2      THR  21  11.028  -1.015   7.352
  152   HG22  THR  21          1HG2      THR  21  11.104  -2.683   6.784
  153   HG23  THR  21          2HG2      THR  21   9.857  -2.198   7.933
  154    H    LEU  22           H        LEU  22   9.796  -2.809   2.996
  155    HA   LEU  22           HA       LEU  22  12.041  -4.585   3.408
  156    HB2  LEU  22           2HB      LEU  22   9.620  -4.897   2.420
  157    HB3  LEU  22           1HB      LEU  22  10.390  -4.460   0.899
  158    HG   LEU  22           HG       LEU  22  12.145  -6.263   1.478
  159   HD11  LEU  22          1HD1      LEU  22  11.731  -6.765   3.743
  160   HD12  LEU  22          2HD1      LEU  22  10.975  -8.111   2.891
  161   HD13  LEU  22          3HD1      LEU  22   9.982  -6.794   3.512
  162   HD21  LEU  22          3HD2      LEU  22  10.617  -8.070   0.628
  163   HD22  LEU  22          1HD2      LEU  22  10.519  -6.578  -0.307
  164   HD23  LEU  22          2HD2      LEU  22   9.257  -6.972   0.861
  165    H    SER  23           H        SER  23  11.411  -1.904   1.168
  166    HA   SER  23           HA       SER  23  12.769  -0.766  -0.353
  167    HB2  SER  23           2HB      SER  23  14.996  -2.096   1.216
  168    HB3  SER  23           1HB      SER  23  15.114  -0.621   0.267
  169    HG   SER  23           HG       SER  23  14.165  -1.027   2.801
  170    HA   PRO  24           HA       PRO  24  13.486  -4.794  -2.687
  171    HB2  PRO  24           2HB      PRO  24  11.437  -4.539  -4.476
  172    HB3  PRO  24           1HB      PRO  24  11.252  -5.345  -2.903
  173    HG2  PRO  24           2HG      PRO  24  10.460  -2.600  -3.718
  174    HG3  PRO  24           1HG      PRO  24   9.619  -3.757  -2.674
  175    HD2  PRO  24           2HD      PRO  24  11.044  -1.648  -1.719
  176    HD3  PRO  24           1HD      PRO  24  10.818  -3.166  -0.825
  177    H    HIS  25           H        HIS  25  14.785  -4.730  -4.510
  178    HA   HIS  25           HA       HIS  25  15.702  -2.246  -5.594
  179    HB2  HIS  25           2HB      HIS  25  17.027  -3.643  -7.064
  180    HB3  HIS  25           1HB      HIS  25  16.957  -4.408  -5.484
  181    HD1  HIS  25           1HD      HIS  25  15.721  -4.773  -9.018
  182    HD2  HIS  25           2HD      HIS  25  15.543  -6.883  -5.426
  183    HE1  HIS  25           1HE      HIS  25  14.816  -7.070  -9.579
  184    H    TYR  26           H        TYR  26  13.122  -4.422  -6.656
  185    HA   TYR  26           HA       TYR  26  12.634  -2.649  -9.019
  186    HB2  TYR  26           2HB      TYR  26  11.813  -4.549 -10.139
  187    HB3  TYR  26           1HB      TYR  26  13.158  -5.193  -9.210
  188    HD1  TYR  26           1HD      TYR  26  12.742  -6.585  -7.193
  189    HD2  TYR  26           2HD      TYR  26   9.517  -5.093  -9.608
  190    HE1  TYR  26           1HE      TYR  26  11.189  -8.182  -6.108
  191    HE2  TYR  26           2HE      TYR  26   7.966  -6.690  -8.522
  192    HH   TYR  26           HH       TYR  26   8.089  -7.945  -5.997
  193    H    LYS  27           H        LYS  27  10.477  -1.897  -9.359
  194    HA   LYS  27           HA       LYS  27   8.281  -2.576  -7.576
  195    HB2  LYS  27           2HB      LYS  27   8.170  -0.433  -6.403
  196    HB3  LYS  27           1HB      LYS  27   9.727  -1.197  -6.103
  197    HG2  LYS  27           2HG      LYS  27  10.462   0.237  -8.216
  198    HG3  LYS  27           1HG      LYS  27   9.084   1.226  -7.744
  199    HD2  LYS  27           2HD      LYS  27  10.267   2.151  -6.076
  200    HD3  LYS  27           1HD      LYS  27  10.591   0.563  -5.387
  201    HE2  LYS  27           2HE      LYS  27  12.172   1.574  -7.759
  202    HE3  LYS  27           1HE      LYS  27  12.646   1.972  -6.096
  203    HZ1  LYS  27           3HZ      LYS  27  12.167  -0.776  -7.123
  204    HZ2  LYS  27           1HZ      LYS  27  12.637  -0.379  -5.544
  205    HZ3  LYS  27           2HZ      LYS  27  13.693  -0.091  -6.845
  Start of MODEL    5
    1    H1   MET   1           1HT      MET   1 -20.021   2.165   2.913
    2    H2   MET   1           2HT      MET   1 -18.923   0.987   3.464
    3    H3   MET   1           3HT      MET   1 -20.392   0.521   2.748
    4    HA   MET   1           HA       MET   1 -19.640   1.590   0.631
    5    HB2  MET   1           2HB      MET   1 -17.292   2.000   2.471
    6    HB3  MET   1           1HB      MET   1 -17.023   1.861   0.738
    7    HG2  MET   1           2HG      MET   1 -17.366   4.120   0.797
    8    HG3  MET   1           1HG      MET   1 -19.061   3.643   0.735
    9    HE1  MET   1           2HE      MET   1 -16.378   5.551   2.556
   10    HE2  MET   1           3HE      MET   1 -16.079   3.945   3.213
   11    HE3  MET   1           1HE      MET   1 -16.646   5.249   4.269
   12    H    ASP   2           H        ASP   2 -17.840   0.364  -0.749
   13    HA   ASP   2           HA       ASP   2 -17.908  -2.518   0.076
   14    HB2  ASP   2           2HB      ASP   2 -17.945  -1.039  -2.558
   15    HB3  ASP   2           1HB      ASP   2 -17.582  -2.762  -2.478
   16    H    ARG   3           H        ARG   3 -15.789  -0.463   0.841
   17    HA   ARG   3           HA       ARG   3 -13.450  -2.093   0.121
   18    HB2  ARG   3           2HB      ARG   3 -12.254  -0.212  -0.923
   19    HB3  ARG   3           1HB      ARG   3 -13.741  -0.557  -1.796
   20    HG2  ARG   3           2HG      ARG   3 -14.444   1.558  -1.482
   21    HG3  ARG   3           1HG      ARG   3 -14.321   1.364   0.266
   22    HD2  ARG   3           2HD      ARG   3 -11.683   1.659  -0.367
   23    HD3  ARG   3           1HD      ARG   3 -12.435   2.668  -1.618
   24    HE   ARG   3           HE       ARG   3 -13.804   3.581   0.473
   25   HH11  ARG   3          1HH1      ARG   3 -11.851   2.124   2.292
   26   HH12  ARG   3          2HH1      ARG   3 -10.740   3.390   2.698
   27   HH21  ARG   3          1HH2      ARG   3 -11.797   5.473   0.091
   28   HH22  ARG   3          2HH2      ARG   3 -10.711   5.316   1.428
   29    H    GLU   4           H        GLU   4 -14.402  -1.929   2.638
   30    HA   GLU   4           HA       GLU   4 -12.688   0.109   4.035
   31    HB2  GLU   4           2HB      GLU   4 -15.395  -1.091   4.582
   32    HB3  GLU   4           1HB      GLU   4 -14.453  -0.368   5.886
   33    HG2  GLU   4           2HG      GLU   4 -14.406   1.763   4.805
   34    HG3  GLU   4           1HG      GLU   4 -15.028   1.091   3.298
   35    H    MET   5           H        MET   5 -11.704  -2.474   3.155
   36    HA   MET   5           HA       MET   5 -10.602  -3.487   5.656
   37    HB2  MET   5           2HB      MET   5 -13.047  -4.591   4.614
   38    HB3  MET   5           1HB      MET   5 -11.780  -5.808   4.483
   39    HG2  MET   5           2HG      MET   5 -12.354  -4.247   7.015
   40    HG3  MET   5           1HG      MET   5 -13.010  -5.848   6.678
   41    HE1  MET   5           3HE      MET   5 -11.461  -6.354   9.292
   42    HE2  MET   5           1HE      MET   5 -11.372  -4.619   8.950
   43    HE3  MET   5           2HE      MET   5  -9.909  -5.524   9.323
   44    H    ALA   6           H        ALA   6 -11.315  -4.804   2.390
   45    HA   ALA   6           HA       ALA   6  -8.740  -6.028   2.011
   46    HB1  ALA   6           1HB      ALA   6 -10.967  -6.522   0.877
   47    HB2  ALA   6           2HB      ALA   6  -9.564  -6.472  -0.190
   48    HB3  ALA   6           3HB      ALA   6 -10.672  -5.101  -0.126
   49    H    ALA   7           H        ALA   7  -9.965  -2.781   1.245
   50    HA   ALA   7           HA       ALA   7  -7.203  -1.891   0.663
   51    HB1  ALA   7           1HB      ALA   7  -7.856  -0.965  -1.515
   52    HB2  ALA   7           2HB      ALA   7  -9.507  -1.544  -1.288
   53    HB3  ALA   7           3HB      ALA   7  -8.186  -2.697  -1.486
   54    H    SER   8           H        SER   8  -7.458  -0.661   2.580
   55    HA   SER   8           HA       SER   8  -8.825   1.916   2.226
   56    HB2  SER   8           2HB      SER   8 -10.625   0.447   3.001
   57    HB3  SER   8           1HB      SER   8  -9.648  -0.089   4.356
   58    HG   SER   8           HG       SER   8  -9.991   1.789   5.344
   59    H    ALA   9           H        ALA   9  -8.040   0.401   5.351
   60    HA   ALA   9           HA       ALA   9  -5.819   2.384   5.696
   61    HB1  ALA   9           1HB      ALA   9  -7.856   2.545   7.132
   62    HB2  ALA   9           2HB      ALA   9  -6.392   2.234   8.065
   63    HB3  ALA   9           3HB      ALA   9  -7.523   0.921   7.735
   64    H    GLY  10           H        GLY  10  -6.762  -1.020   6.277
   65    HA2  GLY  10           2HA      GLY  10  -3.869  -1.679   6.630
   66    HA3  GLY  10           1HA      GLY  10  -5.146  -2.512   7.508
   67    H    GLY  11           H        GLY  11  -6.002  -1.765   4.258
   68    HA2  GLY  11           2HA      GLY  11  -5.591  -4.620   3.512
   69    HA3  GLY  11           1HA      GLY  11  -6.812  -3.555   2.818
   70    H    ALA  12           H        ALA  12  -5.537  -1.364   1.990
   71    HA   ALA  12           HA       ALA  12  -3.583  -2.400  -0.018
   72    HB1  ALA  12           1HB      ALA  12  -5.625  -1.330  -0.849
   73    HB2  ALA  12           2HB      ALA  12  -4.230  -0.322  -1.231
   74    HB3  ALA  12           3HB      ALA  12  -5.286   0.111   0.112
   75    H    VAL  13           H        VAL  13  -4.087   0.375   2.195
   76    HA   VAL  13           HA       VAL  13  -1.584   1.673   1.803
   77    HB   VAL  13           HB       VAL  13  -3.439   1.515   4.200
   78   HG11  VAL  13          1HG1      VAL  13  -1.048   3.259   3.611
   79   HG12  VAL  13          2HG1      VAL  13  -1.433   2.385   5.092
   80   HG13  VAL  13          3HG1      VAL  13  -2.351   3.825   4.655
   81   HG21  VAL  13          3HG2      VAL  13  -3.188   3.416   1.849
   82   HG22  VAL  13          1HG2      VAL  13  -4.132   3.787   3.291
   83   HG23  VAL  13          2HG2      VAL  13  -4.579   2.418   2.274
   84    H    PHE  14           H        PHE  14  -2.483  -0.895   4.149
   85    HA   PHE  14           HA       PHE  14   0.005  -0.950   5.574
   86    HB2  PHE  14           2HB      PHE  14  -2.230  -1.969   6.189
   87    HB3  PHE  14           1HB      PHE  14  -1.881  -3.261   5.044
   88    HD1  PHE  14           1HD      PHE  14  -0.715  -1.598   8.159
   89    HD2  PHE  14           2HD      PHE  14  -0.337  -5.011   5.578
   90    HE1  PHE  14           1HE      PHE  14   0.646  -2.751   9.882
   91    HE2  PHE  14           2HE      PHE  14   1.023  -6.163   7.300
   92    HZ   PHE  14           HZ       PHE  14   1.516  -5.033   9.453
   93    H    VAL  15           H        VAL  15  -1.106  -2.875   2.759
   94    HA   VAL  15           HA       VAL  15   1.189  -4.540   2.467
   95    HB   VAL  15           HB       VAL  15  -0.872  -3.446   0.526
   96   HG11  VAL  15          1HG1      VAL  15   0.996  -4.053  -0.858
   97   HG12  VAL  15          2HG1      VAL  15  -0.146  -5.394  -0.935
   98   HG13  VAL  15          3HG1      VAL  15   1.293  -5.519   0.076
   99   HG21  VAL  15          3HG2      VAL  15  -0.516  -6.192   1.772
  100   HG22  VAL  15          1HG2      VAL  15  -1.862  -5.665   0.764
  101   HG23  VAL  15          2HG2      VAL  15  -1.634  -4.964   2.365
  102    H    GLY  16           H        GLY  16   0.500  -1.303   1.080
  103    HA2  GLY  16           2HA      GLY  16   2.913  -1.109  -0.467
  104    HA3  GLY  16           1HA      GLY  16   1.907   0.250   0.030
  105    H    LEU  17           H        LEU  17   2.124  -0.229   2.889
  106    HA   LEU  17           HA       LEU  17   4.593   1.178   3.439
  107    HB2  LEU  17           2HB      LEU  17   2.142   0.682   4.696
  108    HB3  LEU  17           1HB      LEU  17   3.320  -0.123   5.724
  109    HG   LEU  17           HG       LEU  17   3.036   2.166   6.485
  110   HD11  LEU  17          1HD1      LEU  17   5.357   1.095   6.400
  111   HD12  LEU  17          2HD1      LEU  17   5.310   2.852   6.546
  112   HD13  LEU  17          3HD1      LEU  17   5.659   2.105   4.987
  113   HD21  LEU  17          3HD2      LEU  17   4.006   3.112   3.780
  114   HD22  LEU  17          1HD2      LEU  17   3.327   4.078   5.089
  115   HD23  LEU  17          2HD2      LEU  17   2.292   2.984   4.171
  116    H    VAL  18           H        VAL  18   3.593  -2.234   3.787
  117    HA   VAL  18           HA       VAL  18   5.860  -3.166   5.284
  118    HB   VAL  18           HB       VAL  18   3.953  -4.465   3.307
  119   HG11  VAL  18          1HG1      VAL  18   4.747  -6.625   4.440
  120   HG12  VAL  18          2HG1      VAL  18   6.137  -5.697   5.002
  121   HG13  VAL  18          3HG1      VAL  18   5.854  -5.903   3.273
  122   HG21  VAL  18          3HG2      VAL  18   3.969  -5.182   6.181
  123   HG22  VAL  18          1HG2      VAL  18   2.607  -4.854   5.109
  124   HG23  VAL  18          2HG2      VAL  18   3.498  -3.518   5.834
  125    H    LEU  19           H        LEU  19   5.274  -3.153   1.734
  126    HA   LEU  19           HA       LEU  19   7.871  -4.156   1.003
  127    HB2  LEU  19           2HB      LEU  19   5.462  -3.435  -0.255
  128    HB3  LEU  19           1HB      LEU  19   6.665  -2.350  -0.946
  129    HG   LEU  19           HG       LEU  19   6.547  -4.368  -2.294
  130   HD11  LEU  19          1HD1      LEU  19   9.061  -4.587  -0.627
  131   HD12  LEU  19          2HD1      LEU  19   8.798  -3.292  -1.793
  132   HD13  LEU  19          3HD1      LEU  19   8.858  -4.968  -2.336
  133   HD21  LEU  19          3HD2      LEU  19   7.378  -5.957   0.144
  134   HD22  LEU  19          1HD2      LEU  19   6.846  -6.569  -1.421
  135   HD23  LEU  19          2HD2      LEU  19   5.691  -5.788  -0.342
  136    H    LEU  20           H        LEU  20   6.651  -0.905   1.698
  137    HA   LEU  20           HA       LEU  20   8.811   0.661   0.658
  138    HB2  LEU  20           2HB      LEU  20   6.403   1.045   2.041
  139    HB3  LEU  20           1HB      LEU  20   7.631   1.644   3.152
  140    HG   LEU  20           HG       LEU  20   7.528   2.452   0.238
  141   HD11  LEU  20          1HD1      LEU  20   5.447   3.178   1.245
  142   HD12  LEU  20          2HD1      LEU  20   6.514   4.577   1.113
  143   HD13  LEU  20          3HD1      LEU  20   6.297   3.778   2.670
  144   HD21  LEU  20          3HD2      LEU  20   9.639   2.683   1.764
  145   HD22  LEU  20          1HD2      LEU  20   8.729   3.969   2.556
  146   HD23  LEU  20          2HD2      LEU  20   9.117   4.090   0.841
  147    H    THR  21           H        THR  21   8.240  -0.730   3.901
  148    HA   THR  21           HA       THR  21  10.711   0.164   5.095
  149    HB   THR  21           HB       THR  21   8.891  -2.176   5.783
  150    HG1  THR  21           1HG      THR  21   7.558  -0.546   6.005
  151   HG21  THR  21          3HG2      THR  21  10.642  -2.503   7.237
  152   HG22  THR  21          1HG2      THR  21   9.765  -1.276   8.152
  153   HG23  THR  21          2HG2      THR  21  11.156  -0.818   7.169
  154    H    LEU  22           H        LEU  22   9.878  -2.581   3.060
  155    HA   LEU  22           HA       LEU  22  11.980  -4.393   3.696
  156    HB2  LEU  22           2HB      LEU  22   9.826  -4.543   2.207
  157    HB3  LEU  22           1HB      LEU  22  10.895  -4.003   0.915
  158    HG   LEU  22           HG       LEU  22  11.796  -6.265   2.660
  159   HD11  LEU  22          1HD1      LEU  22   9.433  -6.769   2.018
  160   HD12  LEU  22          2HD1      LEU  22  10.593  -7.880   1.290
  161   HD13  LEU  22          3HD1      LEU  22   9.888  -6.583   0.324
  162   HD21  LEU  22          3HD2      LEU  22  13.416  -5.642   1.064
  163   HD22  LEU  22          1HD2      LEU  22  12.204  -5.308  -0.172
  164   HD23  LEU  22          2HD2      LEU  22  12.581  -6.974   0.264
  165    H    SER  23           H        SER  23  11.865  -1.998   0.986
  166    HA   SER  23           HA       SER  23  14.819  -1.668   1.242
  167    HB2  SER  23           2HB      SER  23  13.291  -2.653  -1.173
  168    HB3  SER  23           1HB      SER  23  14.909  -1.978  -1.297
  169    HG   SER  23           HG       SER  23  14.505  -4.402  -0.906
  170    HA   PRO  24           HA       PRO  24  12.625   2.289   0.217
  171    HB2  PRO  24           2HB      PRO  24  13.312   3.678   2.466
  172    HB3  PRO  24           1HB      PRO  24  11.880   2.637   2.375
  173    HG2  PRO  24           2HG      PRO  24  14.438   2.188   3.745
  174    HG3  PRO  24           1HG      PRO  24  12.835   1.524   4.085
  175    HD2  PRO  24           2HD      PRO  24  14.971   0.226   2.780
  176    HD3  PRO  24           1HD      PRO  24  13.301  -0.356   2.950
  177    H    HIS  25           H        HIS  25  14.635   1.960  -1.298
  178    HA   HIS  25           HA       HIS  25  16.634   2.749  -2.250
  179    HB2  HIS  25           2HB      HIS  25  15.466   5.074  -0.721
  180    HB3  HIS  25           1HB      HIS  25  16.950   5.266  -1.650
  181    HD1  HIS  25           1HD      HIS  25  16.692   5.625  -4.133
  182    HD2  HIS  25           2HD      HIS  25  13.205   4.135  -2.397
  183    HE1  HIS  25           1HE      HIS  25  14.925   5.644  -5.944
  184    H    TYR  26           H        TYR  26  16.898   1.320   0.342
  185    HA   TYR  26           HA       TYR  26  19.658   2.073   0.988
  186    HB2  TYR  26           2HB      TYR  26  18.553   3.679   2.359
  187    HB3  TYR  26           1HB      TYR  26  17.309   2.531   2.839
  188    HD1  TYR  26           1HD      TYR  26  20.904   3.410   3.216
  189    HD2  TYR  26           2HD      TYR  26  17.633   1.037   4.680
  190    HE1  TYR  26           1HE      TYR  26  22.251   2.771   5.196
  191    HE2  TYR  26           2HE      TYR  26  18.983   0.401   6.659
  192    HH   TYR  26           HH       TYR  26  21.870   0.343   6.968
  193    H    LYS  27           H        LYS  27  20.677   0.433   2.329
  194    HA   LYS  27           HA       LYS  27  19.115  -2.095   2.671
  195    HB2  LYS  27           2HB      LYS  27  21.219  -3.286   1.973
  196    HB3  LYS  27           1HB      LYS  27  20.486  -2.327   0.699
  197    HG2  LYS  27           2HG      LYS  27  22.539  -1.416   0.411
  198    HG3  LYS  27           1HG      LYS  27  22.238  -0.530   1.900
  199    HD2  LYS  27           2HD      LYS  27  24.185  -1.553   2.532
  200    HD3  LYS  27           1HD      LYS  27  23.073  -2.849   2.974
  201    HE2  LYS  27           2HE      LYS  27  23.583  -4.115   1.043
  202    HE3  LYS  27           1HE      LYS  27  24.273  -2.716   0.198
  203    HZ1  LYS  27           3HZ      LYS  27  25.970  -4.228   1.166
  204    HZ2  LYS  27           1HZ      LYS  27  25.393  -3.844   2.711
  205    HZ3  LYS  27           2HZ      LYS  27  26.079  -2.633   1.734
  Start of MODEL    6
    1    H1   MET   1           1HT      MET   1 -20.038  -4.262   7.843
    2    H2   MET   1           2HT      MET   1 -19.034  -4.051   9.196
    3    H3   MET   1           3HT      MET   1 -20.362  -5.108   9.278
    4    HA   MET   1           HA       MET   1 -18.412  -6.453   9.047
    5    HB2  MET   1           2HB      MET   1 -20.315  -6.089   6.759
    6    HB3  MET   1           1HB      MET   1 -18.972  -7.209   6.545
    7    HG2  MET   1           2HG      MET   1 -19.641  -8.469   8.518
    8    HG3  MET   1           1HG      MET   1 -20.918  -7.303   8.869
    9    HE1  MET   1           2HE      MET   1 -23.036  -6.933   7.489
   10    HE2  MET   1           3HE      MET   1 -23.117  -8.229   8.679
   11    HE3  MET   1           1HE      MET   1 -23.858  -8.436   7.083
   12    H    ASP   2           H        ASP   2 -16.260  -5.981   8.837
   13    HA   ASP   2           HA       ASP   2 -15.293  -4.736   6.296
   14    HB2  ASP   2           2HB      ASP   2 -14.637  -3.896   9.140
   15    HB3  ASP   2           1HB      ASP   2 -13.828  -3.272   7.705
   16    H    ARG   3           H        ARG   3 -14.083  -6.437   5.506
   17    HA   ARG   3           HA       ARG   3 -11.663  -7.289   6.899
   18    HB2  ARG   3           2HB      ARG   3 -14.158  -8.789   7.155
   19    HB3  ARG   3           1HB      ARG   3 -12.883  -9.774   6.441
   20    HG2  ARG   3           2HG      ARG   3 -11.489  -8.578   8.445
   21    HG3  ARG   3           1HG      ARG   3 -13.092  -8.647   9.176
   22    HD2  ARG   3           2HD      ARG   3 -12.932 -11.160   8.119
   23    HD3  ARG   3           1HD      ARG   3 -11.231 -10.859   8.524
   24    HE   ARG   3           HE       ARG   3 -11.933 -10.375  10.845
   25   HH11  ARG   3          1HH1      ARG   3 -13.083 -13.115   9.766
   26   HH12  ARG   3          2HH1      ARG   3 -14.621 -13.108  10.559
   27   HH21  ARG   3          1HH2      ARG   3 -14.437  -9.734  11.427
   28   HH22  ARG   3          2HH2      ARG   3 -15.397 -11.171  11.509
   29    H    GLU   4           H        GLU   4 -10.213  -8.311   5.451
   30    HA   GLU   4           HA       GLU   4  -9.239  -8.812   3.382
   31    HB2  GLU   4           2HB      GLU   4 -12.028  -9.951   3.190
   32    HB3  GLU   4           1HB      GLU   4 -10.859 -10.166   1.890
   33    HG2  GLU   4           2HG      GLU   4  -9.880 -11.843   3.019
   34    HG3  GLU   4           1HG      GLU   4  -9.545 -10.759   4.367
   35    H    MET   5           H        MET   5 -10.679  -6.151   3.695
   36    HA   MET   5           HA       MET   5 -10.391  -5.216   0.964
   37    HB2  MET   5           2HB      MET   5 -12.847  -6.376   1.595
   38    HB3  MET   5           1HB      MET   5 -13.145  -4.651   1.814
   39    HG2  MET   5           2HG      MET   5 -11.857  -4.459  -0.493
   40    HG3  MET   5           1HG      MET   5 -12.370  -6.138  -0.669
   41    HE1  MET   5           3HE      MET   5 -14.179  -3.682  -2.838
   42    HE2  MET   5           1HE      MET   5 -14.727  -5.366  -2.875
   43    HE3  MET   5           2HE      MET   5 -13.018  -4.995  -2.677
   44    H    ALA   6           H        ALA   6 -12.346  -4.344   3.864
   45    HA   ALA   6           HA       ALA   6 -12.457  -2.348   5.103
   46    HB1  ALA   6           1HB      ALA   6  -9.485  -2.227   4.566
   47    HB2  ALA   6           2HB      ALA   6 -10.185  -3.498   5.568
   48    HB3  ALA   6           3HB      ALA   6 -10.350  -1.809   6.046
   49    H    ALA   7           H        ALA   7 -13.476  -1.674   2.847
   50    HA   ALA   7           HA       ALA   7 -13.920   0.080   1.367
   51    HB1  ALA   7           1HB      ALA   7 -13.329   1.288   3.559
   52    HB2  ALA   7           2HB      ALA   7 -13.236   2.232   2.072
   53    HB3  ALA   7           3HB      ALA   7 -11.762   1.611   2.814
   54    H    SER   8           H        SER   8 -11.547  -1.862   0.922
   55    HA   SER   8           HA       SER   8  -9.816  -2.197  -0.622
   56    HB2  SER   8           2HB      SER   8 -11.887  -0.450  -1.854
   57    HB3  SER   8           1HB      SER   8 -10.358  -0.559  -2.716
   58    HG   SER   8           HG       SER   8 -12.072  -2.679  -1.895
   59    H    ALA   9           H        ALA   9  -9.200  -0.315   1.491
   60    HA   ALA   9           HA       ALA   9  -7.047   1.228   0.145
   61    HB1  ALA   9           1HB      ALA   9  -9.079   2.654   0.224
   62    HB2  ALA   9           2HB      ALA   9  -7.765   3.311   1.202
   63    HB3  ALA   9           3HB      ALA   9  -9.110   2.477   1.979
   64    H    GLY  10           H        GLY  10  -8.587   0.480   3.325
   65    HA2  GLY  10           2HA      GLY  10  -6.418   1.148   5.005
   66    HA3  GLY  10           1HA      GLY  10  -7.609  -0.093   5.383
   67    H    GLY  11           H        GLY  11  -7.198  -2.173   3.883
   68    HA2  GLY  11           2HA      GLY  11  -4.741  -3.349   4.729
   69    HA3  GLY  11           1HA      GLY  11  -5.819  -4.028   3.509
   70    H    ALA  12           H        ALA  12  -5.669  -1.799   1.661
   71    HA   ALA  12           HA       ALA  12  -3.406  -2.519   0.082
   72    HB1  ALA  12           1HB      ALA  12  -5.193  -0.067   0.110
   73    HB2  ALA  12           2HB      ALA  12  -5.413  -1.527  -0.856
   74    HB3  ALA  12           3HB      ALA  12  -4.061  -0.444  -1.189
   75    H    VAL  13           H        VAL  13  -3.930   0.404   2.121
   76    HA   VAL  13           HA       VAL  13  -1.382   1.622   1.664
   77    HB   VAL  13           HB       VAL  13  -3.361   1.703   3.965
   78   HG11  VAL  13          1HG1      VAL  13  -0.769   3.188   3.567
   79   HG12  VAL  13          2HG1      VAL  13  -1.411   2.456   5.037
   80   HG13  VAL  13          3HG1      VAL  13  -2.111   3.953   4.421
   81   HG21  VAL  13          3HG2      VAL  13  -2.755   3.943   2.055
   82   HG22  VAL  13          1HG2      VAL  13  -4.253   3.585   2.913
   83   HG23  VAL  13          2HG2      VAL  13  -3.782   2.615   1.518
   84    H    PHE  14           H        PHE  14  -2.428  -0.790   4.078
   85    HA   PHE  14           HA       PHE  14  -0.027  -0.888   5.640
   86    HB2  PHE  14           2HB      PHE  14  -2.217  -1.806   6.304
   87    HB3  PHE  14           1HB      PHE  14  -2.122  -2.994   5.006
   88    HD1  PHE  14           1HD      PHE  14  -0.294  -1.813   8.058
   89    HD2  PHE  14           2HD      PHE  14  -1.102  -5.072   5.378
   90    HE1  PHE  14           1HE      PHE  14   0.961  -3.349   9.545
   91    HE2  PHE  14           2HE      PHE  14   0.154  -6.607   6.866
   92    HZ   PHE  14           HZ       PHE  14   1.185  -5.746   8.950
   93    H    VAL  15           H        VAL  15  -1.076  -2.827   2.810
   94    HA   VAL  15           HA       VAL  15   1.208  -4.545   2.641
   95    HB   VAL  15           HB       VAL  15  -0.773  -3.500   0.585
   96   HG11  VAL  15          1HG1      VAL  15  -0.080  -5.462  -0.790
   97   HG12  VAL  15          2HG1      VAL  15   1.228  -5.773   0.352
   98   HG13  VAL  15          3HG1      VAL  15   1.221  -4.286  -0.598
   99   HG21  VAL  15          3HG2      VAL  15  -1.475  -4.964   2.620
  100   HG22  VAL  15          1HG2      VAL  15  -0.632  -6.268   1.784
  101   HG23  VAL  15          2HG2      VAL  15  -2.004  -5.470   1.016
  102    H    GLY  16           H        GLY  16   0.552  -1.352   1.156
  103    HA2  GLY  16           2HA      GLY  16   2.944  -1.178  -0.404
  104    HA3  GLY  16           1HA      GLY  16   1.983   0.199   0.135
  105    H    LEU  17           H        LEU  17   2.216  -0.227   2.952
  106    HA   LEU  17           HA       LEU  17   4.705   1.091   3.535
  107    HB2  LEU  17           2HB      LEU  17   2.543   1.182   4.832
  108    HB3  LEU  17           1HB      LEU  17   2.870  -0.457   5.393
  109    HG   LEU  17           HG       LEU  17   5.182   1.287   5.767
  110   HD11  LEU  17          1HD1      LEU  17   4.240   2.698   7.519
  111   HD12  LEU  17          2HD1      LEU  17   2.642   1.997   7.267
  112   HD13  LEU  17          3HD1      LEU  17   3.376   2.993   6.010
  113   HD21  LEU  17          3HD2      LEU  17   4.760  -0.953   6.826
  114   HD22  LEU  17          1HD2      LEU  17   3.448  -0.223   7.752
  115   HD23  LEU  17          2HD2      LEU  17   5.108   0.316   8.000
  116    H    VAL  18           H        VAL  18   3.658  -2.320   3.875
  117    HA   VAL  18           HA       VAL  18   6.033  -3.300   5.162
  118    HB   VAL  18           HB       VAL  18   3.892  -4.547   3.406
  119   HG11  VAL  18          1HG1      VAL  18   4.709  -6.744   4.321
  120   HG12  VAL  18          2HG1      VAL  18   6.140  -5.907   4.923
  121   HG13  VAL  18          3HG1      VAL  18   5.829  -5.988   3.189
  122   HG21  VAL  18          3HG2      VAL  18   3.107  -5.451   5.568
  123   HG22  VAL  18          1HG2      VAL  18   3.183  -3.690   5.612
  124   HG23  VAL  18          2HG2      VAL  18   4.444  -4.647   6.390
  125    H    LEU  19           H        LEU  19   5.205  -2.759   1.748
  126    HA   LEU  19           HA       LEU  19   7.573  -4.061   0.663
  127    HB2  LEU  19           2HB      LEU  19   5.170  -3.243  -0.314
  128    HB3  LEU  19           1HB      LEU  19   6.169  -1.886  -0.820
  129    HG   LEU  19           HG       LEU  19   6.042  -3.629  -2.566
  130   HD11  LEU  19          1HD1      LEU  19   8.143  -2.217  -2.136
  131   HD12  LEU  19          2HD1      LEU  19   8.351  -3.676  -3.103
  132   HD13  LEU  19          3HD1      LEU  19   8.830  -3.668  -1.407
  133   HD21  LEU  19          3HD2      LEU  19   7.593  -5.427  -0.691
  134   HD22  LEU  19          1HD2      LEU  19   6.856  -5.842  -2.237
  135   HD23  LEU  19          2HD2      LEU  19   5.839  -5.518  -0.834
  136    H    LEU  20           H        LEU  20   6.658  -0.702   1.475
  137    HA   LEU  20           HA       LEU  20   9.127   0.514   0.564
  138    HB2  LEU  20           2HB      LEU  20   6.704   1.455   1.115
  139    HB3  LEU  20           1HB      LEU  20   7.399   1.682   2.719
  140    HG   LEU  20           HG       LEU  20   9.366   2.839   1.518
  141   HD11  LEU  20          1HD1      LEU  20   8.968   2.196  -0.757
  142   HD12  LEU  20          2HD1      LEU  20   8.603   3.919  -0.662
  143   HD13  LEU  20          3HD1      LEU  20   7.291   2.739  -0.688
  144   HD21  LEU  20          3HD2      LEU  20   7.810   4.129   2.836
  145   HD22  LEU  20          1HD2      LEU  20   6.570   4.015   1.587
  146   HD23  LEU  20          2HD2      LEU  20   8.020   4.977   1.306
  147    H    THR  21           H        THR  21   7.989  -0.720   3.727
  148    HA   THR  21           HA       THR  21  10.202   0.258   5.278
  149    HB   THR  21           HB       THR  21   7.825  -0.755   5.882
  150    HG1  THR  21           1HG      THR  21   8.913   0.093   7.512
  151   HG21  THR  21          3HG2      THR  21   7.758  -3.005   6.521
  152   HG22  THR  21          1HG2      THR  21   9.515  -3.150   6.552
  153   HG23  THR  21          2HG2      THR  21   8.665  -3.064   5.012
  154    H    LEU  22           H        LEU  22   9.920  -2.507   3.135
  155    HA   LEU  22           HA       LEU  22  12.162  -4.021   4.206
  156    HB2  LEU  22           2HB      LEU  22  10.129  -4.247   2.183
  157    HB3  LEU  22           1HB      LEU  22  11.695  -4.591   1.452
  158    HG   LEU  22           HG       LEU  22  12.012  -6.022   3.687
  159   HD11  LEU  22          1HD1      LEU  22   9.779  -5.323   4.569
  160   HD12  LEU  22          2HD1      LEU  22   9.920  -7.070   4.377
  161   HD13  LEU  22          3HD1      LEU  22   9.019  -6.123   3.193
  162   HD21  LEU  22          3HD2      LEU  22  11.051  -7.980   2.392
  163   HD22  LEU  22          1HD2      LEU  22  12.198  -6.995   1.485
  164   HD23  LEU  22          2HD2      LEU  22  10.466  -6.819   1.201
  165    H    SER  23           H        SER  23  11.825  -1.376   1.896
  166    HA   SER  23           HA       SER  23  13.391  -0.065   0.779
  167    HB2  SER  23           2HB      SER  23  14.529  -0.868   3.215
  168    HB3  SER  23           1HB      SER  23  15.790  -1.151   2.021
  169    HG   SER  23           HG       SER  23  15.850   0.954   1.587
  170    HA   PRO  24           HA       PRO  24  14.608  -3.684  -1.857
  171    HB2  PRO  24           2HB      PRO  24  12.753  -3.363  -3.835
  172    HB3  PRO  24           1HB      PRO  24  12.451  -4.317  -2.370
  173    HG2  PRO  24           2HG      PRO  24  11.431  -1.671  -3.123
  174    HG3  PRO  24           1HG      PRO  24  10.749  -2.880  -2.029
  175    HD2  PRO  24           2HD      PRO  24  12.141  -0.533  -1.317
  176    HD3  PRO  24           1HD      PRO  24  11.621  -1.846  -0.241
  177    H    HIS  25           H        HIS  25  16.520  -2.765  -2.652
  178    HA   HIS  25           HA       HIS  25  16.264  -0.772  -4.876
  179    HB2  HIS  25           2HB      HIS  25  16.898   0.112  -2.517
  180    HB3  HIS  25           1HB      HIS  25  18.455  -0.657  -2.805
  181    HD1  HIS  25           1HD      HIS  25  18.605   2.301  -2.563
  182    HD2  HIS  25           2HD      HIS  25  17.739   0.483  -6.215
  183    HE1  HIS  25           1HE      HIS  25  19.195   3.984  -4.360
  184    H    TYR  26           H        TYR  26  18.626  -2.920  -3.201
  185    HA   TYR  26           HA       TYR  26  20.315  -4.313  -4.027
  186    HB2  TYR  26           2HB      TYR  26  18.067  -5.017  -5.230
  187    HB3  TYR  26           1HB      TYR  26  18.866  -4.369  -6.661
  188    HD1  TYR  26           1HD      TYR  26  20.917  -5.393  -7.541
  189    HD2  TYR  26           2HD      TYR  26  18.916  -7.007  -4.099
  190    HE1  TYR  26           1HE      TYR  26  22.242  -7.478  -7.747
  191    HE2  TYR  26           2HE      TYR  26  20.242  -9.092  -4.307
  192    HH   TYR  26           HH       TYR  26  21.601 -10.169  -6.755
  193    H    LYS  27           H        LYS  27  21.653  -2.269  -3.962
  194    HA   LYS  27           HA       LYS  27  22.462  -1.369  -6.707
  195    HB2  LYS  27           2HB      LYS  27  22.067  -0.016  -4.078
  196    HB3  LYS  27           1HB      LYS  27  23.370   0.583  -5.101
  197    HG2  LYS  27           2HG      LYS  27  20.665   0.104  -6.313
  198    HG3  LYS  27           1HG      LYS  27  20.938   1.563  -5.364
  199    HD2  LYS  27           2HD      LYS  27  21.707   2.434  -7.317
  200    HD3  LYS  27           1HD      LYS  27  23.177   1.534  -6.944
  201    HE2  LYS  27           2HE      LYS  27  22.320  -0.401  -8.247
  202    HE3  LYS  27           1HE      LYS  27  20.870   0.534  -8.659
  203    HZ1  LYS  27           3HZ      LYS  27  22.609   0.724 -10.367
  204    HZ2  LYS  27           1HZ      LYS  27  23.662   1.398  -9.223
  205    HZ3  LYS  27           2HZ      LYS  27  22.241   2.224  -9.661
  Start of MODEL    7
    1    H1   MET   1           1HT      MET   1 -22.269  -3.794  -2.428
    2    H2   MET   1           2HT      MET   1 -23.356  -4.914  -3.097
    3    H3   MET   1           3HT      MET   1 -23.072  -3.429  -3.875
    4    HA   MET   1           HA       MET   1 -21.179  -5.712  -3.589
    5    HB2  MET   1           2HB      MET   1 -23.140  -5.459  -5.347
    6    HB3  MET   1           1HB      MET   1 -22.036  -4.315  -6.113
    7    HG2  MET   1           2HG      MET   1 -21.115  -7.076  -5.314
    8    HG3  MET   1           1HG      MET   1 -21.907  -6.790  -6.862
    9    HE1  MET   1           2HE      MET   1 -21.445  -4.630  -8.064
   10    HE2  MET   1           3HE      MET   1 -20.412  -5.643  -9.065
   11    HE3  MET   1           1HE      MET   1 -19.830  -4.073  -8.487
   12    H    ASP   2           H        ASP   2 -19.151  -4.953  -3.128
   13    HA   ASP   2           HA       ASP   2 -18.251  -2.392  -4.406
   14    HB2  ASP   2           2HB      ASP   2 -17.908  -3.385  -1.564
   15    HB3  ASP   2           1HB      ASP   2 -17.025  -2.010  -2.224
   16    H    ARG   3           H        ARG   3 -16.914  -5.156  -2.523
   17    HA   ARG   3           HA       ARG   3 -15.074  -6.542  -2.862
   18    HB2  ARG   3           2HB      ARG   3 -16.216  -5.990  -5.453
   19    HB3  ARG   3           1HB      ARG   3 -14.465  -6.104  -5.609
   20    HG2  ARG   3           2HG      ARG   3 -14.853  -8.339  -5.708
   21    HG3  ARG   3           1HG      ARG   3 -14.960  -8.217  -3.953
   22    HD2  ARG   3           2HD      ARG   3 -17.373  -8.053  -4.032
   23    HD3  ARG   3           1HD      ARG   3 -17.355  -7.915  -5.801
   24    HE   ARG   3           HE       ARG   3 -16.745 -10.391  -4.267
   25   HH11  ARG   3          1HH2      ARG   3 -18.895 -10.421  -6.285
   26   HH12  ARG   3          2HH2      ARG   3 -18.115 -11.082  -7.681
   27   HH21  ARG   3          1HH1      ARG   3 -14.899 -10.498  -6.479
   28   HH22  ARG   3          2HH1      ARG   3 -15.833 -11.125  -7.793
   29    H    GLU   4           H        GLU   4 -14.139  -4.095  -5.311
   30    HA   GLU   4           HA       GLU   4 -11.486  -3.786  -4.204
   31    HB2  GLU   4           2HB      GLU   4 -13.177  -2.266  -6.208
   32    HB3  GLU   4           1HB      GLU   4 -11.521  -1.788  -5.831
   33    HG2  GLU   4           2HG      GLU   4 -10.624  -3.829  -6.644
   34    HG3  GLU   4           1HG      GLU   4 -12.200  -4.617  -6.642
   35    H    MET   5           H        MET   5 -14.459  -1.807  -4.032
   36    HA   MET   5           HA       MET   5 -13.317   0.319  -2.425
   37    HB2  MET   5           2HB      MET   5 -16.025  -0.599  -3.317
   38    HB3  MET   5           1HB      MET   5 -15.940   0.567  -1.999
   39    HG2  MET   5           2HG      MET   5 -15.933   2.050  -3.751
   40    HG3  MET   5           1HG      MET   5 -14.200   1.738  -3.683
   41    HE1  MET   5           3HE      MET   5 -17.210   1.853  -6.114
   42    HE2  MET   5           1HE      MET   5 -17.534   0.592  -4.911
   43    HE3  MET   5           2HE      MET   5 -17.328   0.165  -6.605
   44    H    ALA   6           H        ALA   6 -14.676  -2.838  -1.651
   45    HA   ALA   6           HA       ALA   6 -15.015  -2.183   1.216
   46    HB1  ALA   6           1HB      ALA   6 -16.017  -4.388   1.303
   47    HB2  ALA   6           2HB      ALA   6 -15.380  -4.782  -0.294
   48    HB3  ALA   6           3HB      ALA   6 -16.629  -3.548  -0.122
   49    H    ALA   7           H        ALA   7 -12.559  -3.596  -0.845
   50    HA   ALA   7           HA       ALA   7 -11.177  -4.763   1.544
   51    HB1  ALA   7           1HB      ALA   7  -9.965  -6.086  -0.214
   52    HB2  ALA   7           2HB      ALA   7 -10.995  -5.328  -1.427
   53    HB3  ALA   7           3HB      ALA   7 -11.706  -6.366  -0.191
   54    H    SER   8           H        SER   8 -10.545  -2.825  -1.436
   55    HA   SER   8           HA       SER   8  -7.805  -2.207  -0.633
   56    HB2  SER   8           2HB      SER   8  -8.914  -2.348  -2.993
   57    HB3  SER   8           1HB      SER   8  -9.436  -0.700  -2.673
   58    HG   SER   8           HG       SER   8  -7.436  -0.642  -3.679
   59    H    ALA   9           H        ALA   9  -8.248  -1.328   1.527
   60    HA   ALA   9           HA       ALA   9  -8.825   1.590   1.457
   61    HB1  ALA   9           1HB      ALA   9 -10.296  -0.527   3.037
   62    HB2  ALA   9           2HB      ALA   9 -10.970   0.719   1.986
   63    HB3  ALA   9           3HB      ALA   9 -10.281   1.162   3.548
   64    H    GLY  10           H        GLY  10  -8.303  -0.955   3.960
   65    HA2  GLY  10           2HA      GLY  10  -6.117   0.739   5.090
   66    HA3  GLY  10           1HA      GLY  10  -7.038  -0.455   6.002
   67    H    GLY  11           H        GLY  11  -6.910  -2.692   4.409
   68    HA2  GLY  11           2HA      GLY  11  -4.391  -3.828   4.987
   69    HA3  GLY  11           1HA      GLY  11  -5.544  -4.501   3.837
   70    H    ALA  12           H        ALA  12  -5.592  -2.571   1.851
   71    HA   ALA  12           HA       ALA  12  -3.280  -3.139   0.282
   72    HB1  ALA  12           1HB      ALA  12  -5.202  -0.799   0.066
   73    HB2  ALA  12           2HB      ALA  12  -5.534  -2.424  -0.533
   74    HB3  ALA  12           3HB      ALA  12  -4.225  -1.475  -1.237
   75    H    VAL  13           H        VAL  13  -4.108  -0.216   2.187
   76    HA   VAL  13           HA       VAL  13  -1.790   1.339   1.529
   77    HB   VAL  13           HB       VAL  13  -3.572   1.255   3.995
   78   HG11  VAL  13          1HG1      VAL  13  -1.603   3.381   3.084
   79   HG12  VAL  13          2HG1      VAL  13  -1.472   2.397   4.542
   80   HG13  VAL  13          3HG1      VAL  13  -2.771   3.580   4.390
   81   HG21  VAL  13          3HG2      VAL  13  -3.573   3.065   1.556
   82   HG22  VAL  13          1HG2      VAL  13  -4.685   3.174   2.919
   83   HG23  VAL  13          2HG2      VAL  13  -4.726   1.767   1.858
   84    H    PHE  14           H        PHE  14  -2.394  -1.085   4.073
   85    HA   PHE  14           HA       PHE  14   0.081  -0.809   5.502
   86    HB2  PHE  14           2HB      PHE  14  -2.166  -2.042   6.033
   87    HB3  PHE  14           1HB      PHE  14  -1.440  -3.390   5.160
   88    HD1  PHE  14           1HD      PHE  14  -1.078  -1.147   8.092
   89    HD2  PHE  14           2HD      PHE  14   0.372  -4.663   6.094
   90    HE1  PHE  14           1HE      PHE  14   0.230  -1.754  10.108
   91    HE2  PHE  14           2HE      PHE  14   1.680  -5.270   8.113
   92    HZ   PHE  14           HZ       PHE  14   1.609  -3.815  10.119
   93    H    VAL  15           H        VAL  15  -0.883  -2.902   2.761
   94    HA   VAL  15           HA       VAL  15   1.512  -4.439   2.521
   95    HB   VAL  15           HB       VAL  15  -0.546  -3.492   0.493
   96   HG11  VAL  15          1HG1      VAL  15   1.426  -5.783   0.218
   97   HG12  VAL  15          2HG1      VAL  15   1.587  -4.226  -0.599
   98   HG13  VAL  15          3HG1      VAL  15   0.222  -5.278  -0.969
   99   HG21  VAL  15          3HG2      VAL  15  -0.452  -6.315   1.351
  100   HG22  VAL  15          1HG2      VAL  15  -1.836  -5.238   1.172
  101   HG23  VAL  15          2HG2      VAL  15  -0.859  -5.182   2.639
  102    H    GLY  16           H        GLY  16   0.618  -1.246   1.183
  103    HA2  GLY  16           2HA      GLY  16   2.958  -0.868  -0.434
  104    HA3  GLY  16           1HA      GLY  16   1.920   0.425   0.172
  105    H    LEU  17           H        LEU  17   2.183  -0.014   2.943
  106    HA   LEU  17           HA       LEU  17   4.697   1.312   3.517
  107    HB2  LEU  17           2HB      LEU  17   2.269   0.386   4.935
  108    HB3  LEU  17           1HB      LEU  17   3.726   0.405   5.927
  109    HG   LEU  17           HG       LEU  17   4.084   2.784   4.871
  110   HD11  LEU  17          1HD1      LEU  17   1.067   2.581   4.729
  111   HD12  LEU  17          2HD1      LEU  17   2.102   2.433   3.309
  112   HD13  LEU  17          3HD1      LEU  17   2.084   3.934   4.234
  113   HD21  LEU  17          3HD2      LEU  17   1.923   2.270   6.943
  114   HD22  LEU  17          1HD2      LEU  17   2.833   3.769   6.746
  115   HD23  LEU  17          2HD2      LEU  17   3.655   2.300   7.271
  116    H    VAL  18           H        VAL  18   3.510  -2.037   3.986
  117    HA   VAL  18           HA       VAL  18   5.794  -3.086   5.367
  118    HB   VAL  18           HB       VAL  18   3.694  -4.275   3.518
  119   HG11  VAL  18          1HG1      VAL  18   5.926  -5.659   5.023
  120   HG12  VAL  18          2HG1      VAL  18   5.505  -5.815   3.318
  121   HG13  VAL  18          3HG1      VAL  18   4.446  -6.496   4.551
  122   HG21  VAL  18          3HG2      VAL  18   4.073  -4.731   6.481
  123   HG22  VAL  18          1HG2      VAL  18   2.619  -4.973   5.511
  124   HG23  VAL  18          2HG2      VAL  18   3.173  -3.340   5.876
  125    H    LEU  19           H        LEU  19   5.009  -2.892   1.880
  126    HA   LEU  19           HA       LEU  19   7.420  -4.116   0.891
  127    HB2  LEU  19           2HB      LEU  19   5.167  -3.607  -0.266
  128    HB3  LEU  19           1HB      LEU  19   5.784  -1.969  -0.478
  129    HG   LEU  19           HG       LEU  19   7.899  -3.227  -1.456
  130   HD11  LEU  19          1HD1      LEU  19   7.322  -5.493  -1.083
  131   HD12  LEU  19          2HD1      LEU  19   6.977  -5.238  -2.794
  132   HD13  LEU  19          3HD1      LEU  19   5.660  -5.248  -1.622
  133   HD21  LEU  19          3HD2      LEU  19   5.381  -3.168  -3.132
  134   HD22  LEU  19          1HD2      LEU  19   7.036  -2.826  -3.637
  135   HD23  LEU  19          2HD2      LEU  19   6.178  -1.686  -2.602
  136    H    LEU  20           H        LEU  20   6.549  -0.738   1.665
  137    HA   LEU  20           HA       LEU  20   8.878   0.562   0.639
  138    HB2  LEU  20           2HB      LEU  20   6.525   1.232   1.996
  139    HB3  LEU  20           1HB      LEU  20   7.799   1.705   3.113
  140    HG   LEU  20           HG       LEU  20   7.299   3.584   1.670
  141   HD11  LEU  20          1HD1      LEU  20   9.477   4.096   0.885
  142   HD12  LEU  20          2HD1      LEU  20   9.851   2.402   0.565
  143   HD13  LEU  20          3HD1      LEU  20   9.733   2.981   2.227
  144   HD21  LEU  20          3HD2      LEU  20   7.141   3.482  -0.659
  145   HD22  LEU  20          1HD2      LEU  20   6.454   1.927  -0.186
  146   HD23  LEU  20          2HD2      LEU  20   8.118   2.017  -0.764
  147    H    THR  21           H        THR  21   8.221  -0.868   3.856
  148    HA   THR  21           HA       THR  21  10.712  -0.130   5.093
  149    HB   THR  21           HB       THR  21   8.851  -2.483   5.598
  150    HG1  THR  21           1HG      THR  21   7.561  -0.928   6.153
  151   HG21  THR  21          3HG2      THR  21  10.784  -1.094   7.475
  152   HG22  THR  21          1HG2      THR  21  11.080  -2.655   6.709
  153   HG23  THR  21          2HG2      THR  21   9.755  -2.474   7.857
  154    H    LEU  22           H        LEU  22   9.721  -2.932   3.130
  155    HA   LEU  22           HA       LEU  22  12.137  -4.484   3.510
  156    HB2  LEU  22           2HB      LEU  22   9.672  -4.519   1.870
  157    HB3  LEU  22           1HB      LEU  22  11.062  -5.275   1.100
  158    HG   LEU  22           HG       LEU  22   9.789  -6.934   2.371
  159   HD11  LEU  22          1HD1      LEU  22  12.403  -6.839   2.313
  160   HD12  LEU  22          2HD1      LEU  22  11.605  -7.968   3.406
  161   HD13  LEU  22          3HD1      LEU  22  12.250  -6.450   4.027
  162   HD21  LEU  22          3HD2      LEU  22   9.650  -6.755   4.846
  163   HD22  LEU  22          1HD2      LEU  22   8.789  -5.442   4.046
  164   HD23  LEU  22          2HD2      LEU  22  10.374  -5.150   4.760
  165    H    SER  23           H        SER  23  10.999  -2.364   0.841
  166    HA   SER  23           HA       SER  23  13.860  -1.973   0.044
  167    HB2  SER  23           2HB      SER  23  13.005  -2.022  -2.330
  168    HB3  SER  23           1HB      SER  23  12.862  -3.556  -1.487
  169    HG   SER  23           HG       SER  23  10.848  -1.609  -1.995
  170    HA   PRO  24           HA       PRO  24  11.881   2.106   0.828
  171    HB2  PRO  24           2HB      PRO  24  14.172   3.328   1.677
  172    HB3  PRO  24           1HB      PRO  24  13.130   2.367   2.746
  173    HG2  PRO  24           2HG      PRO  24  15.665   1.592   1.391
  174    HG3  PRO  24           1HG      PRO  24  15.104   1.232   3.034
  175    HD2  PRO  24           2HD      PRO  24  14.974  -0.576   1.033
  176    HD3  PRO  24           1HD      PRO  24  13.786  -0.517   2.356
  177    H    HIS  25           H        HIS  25  11.896   3.881  -0.570
  178    HA   HIS  25           HA       HIS  25  13.875   3.816  -2.824
  179    HB2  HIS  25           2HB      HIS  25  10.935   4.378  -2.569
  180    HB3  HIS  25           1HB      HIS  25  11.832   5.149  -3.877
  181    HD1  HIS  25           1HD      HIS  25  13.150   3.488  -5.523
  182    HD2  HIS  25           2HD      HIS  25  10.373   1.673  -2.996
  183    HE1  HIS  25           1HE      HIS  25  12.723   1.176  -6.468
  184    H    TYR  26           H        TYR  26  14.819   5.102  -0.636
  185    HA   TYR  26           HA       TYR  26  14.226   8.018  -0.949
  186    HB2  TYR  26           2HB      TYR  26  15.507   6.300   1.187
  187    HB3  TYR  26           1HB      TYR  26  15.605   8.057   1.226
  188    HD1  TYR  26           2HD      TYR  26  13.578   9.435   1.533
  189    HD2  TYR  26           1HD      TYR  26  13.405   5.142   1.584
  190    HE1  TYR  26           2HE      TYR  26  11.315   9.538   2.537
  191    HE2  TYR  26           1HE      TYR  26  11.142   5.245   2.589
  192    HH   TYR  26           HH       TYR  26   9.913   7.715   4.107
  193    H    LYS  27           H        LYS  27  16.227   9.456  -0.779
  194    HA   LYS  27           HA       LYS  27  18.722   8.225  -1.850
  195    HB2  LYS  27           2HB      LYS  27  17.016   9.055  -3.638
  196    HB3  LYS  27           1HB      LYS  27  17.512  10.671  -3.136
  197    HG2  LYS  27           2HG      LYS  27  19.817   8.938  -3.544
  198    HG3  LYS  27           1HG      LYS  27  18.819   9.030  -4.994
  199    HD2  LYS  27           2HD      LYS  27  20.186  10.881  -5.294
  200    HD3  LYS  27           1HD      LYS  27  18.815  11.617  -4.464
  201    HE2  LYS  27           2HE      LYS  27  19.982  11.881  -2.470
  202    HE3  LYS  27           1HE      LYS  27  21.065  10.516  -2.800
  203    HZ1  LYS  27           3HZ      LYS  27  21.053  13.078  -4.313
  204    HZ2  LYS  27           1HZ      LYS  27  22.110  11.775  -4.559
  205    HZ3  LYS  27           2HZ      LYS  27  22.178  12.662  -3.112
  Start of MODEL    8
    1    H1   MET   1           1HT      MET   1 -11.249   6.809 -12.332
    2    H2   MET   1           2HT      MET   1 -12.677   6.956 -11.423
    3    H3   MET   1           3HT      MET   1 -12.412   5.579 -12.380
    4    HA   MET   1           HA       MET   1 -10.768   4.734 -10.966
    5    HB2  MET   1           2HB      MET   1  -9.626   6.101  -9.355
    6    HB3  MET   1           1HB      MET   1  -9.694   7.031 -10.847
    7    HG2  MET   1           2HG      MET   1 -11.883   8.044  -9.835
    8    HG3  MET   1           1HG      MET   1 -11.267   7.420  -8.306
    9    HE1  MET   1           2HE      MET   1  -8.273   9.301  -7.386
   10    HE2  MET   1           3HE      MET   1  -9.099   7.746  -7.404
   11    HE3  MET   1           1HE      MET   1  -9.917   9.184  -6.768
   12    H    ASP   2           H        ASP   2 -10.984   4.173  -8.529
   13    HA   ASP   2           HA       ASP   2 -13.893   4.089  -7.849
   14    HB2  ASP   2           2HB      ASP   2 -11.536   2.418  -6.912
   15    HB3  ASP   2           1HB      ASP   2 -13.236   2.095  -6.571
   16    H    ARG   3           H        ARG   3 -13.763   3.567  -5.124
   17    HA   ARG   3           HA       ARG   3 -12.045   5.505  -3.751
   18    HB2  ARG   3           2HB      ARG   3 -14.017   6.716  -4.969
   19    HB3  ARG   3           1HB      ARG   3 -15.012   6.051  -3.674
   20    HG2  ARG   3           2HG      ARG   3 -14.028   7.361  -2.050
   21    HG3  ARG   3           1HG      ARG   3 -12.480   7.427  -2.891
   22    HD2  ARG   3           2HD      ARG   3 -13.296   9.615  -3.189
   23    HD3  ARG   3           1HD      ARG   3 -13.828   8.823  -4.684
   24    HE   ARG   3           HE       ARG   3 -15.639   8.959  -2.303
   25   HH11  ARG   3          1HH1      ARG   3 -16.523   7.548  -4.793
   26   HH12  ARG   3          2HH1      ARG   3 -17.436   8.770  -5.608
   27   HH21  ARG   3          1HH2      ARG   3 -16.121  11.378  -3.706
   28   HH22  ARG   3          2HH2      ARG   3 -17.208  10.960  -4.986
   29    H    GLU   4           H        GLU   4 -11.729   4.767  -1.706
   30    HA   GLU   4           HA       GLU   4 -11.887   3.463   0.228
   31    HB2  GLU   4           2HB      GLU   4 -14.585   4.598  -0.331
   32    HB3  GLU   4           1HB      GLU   4 -14.464   3.394   0.952
   33    HG2  GLU   4           2HG      GLU   4 -12.911   4.686   2.187
   34    HG3  GLU   4           1HG      GLU   4 -12.555   5.727   0.809
   35    H    MET   5           H        MET   5 -11.586   1.885  -1.956
   36    HA   MET   5           HA       MET   5 -12.624  -0.675  -1.106
   37    HB2  MET   5           2HB      MET   5 -14.055  -1.122  -3.075
   38    HB3  MET   5           1HB      MET   5 -14.665   0.223  -2.123
   39    HG2  MET   5           2HG      MET   5 -14.764   1.315  -4.109
   40    HG3  MET   5           1HG      MET   5 -13.024   1.509  -3.925
   41    HE1  MET   5           3HE      MET   5 -15.483   1.080  -6.029
   42    HE2  MET   5           1HE      MET   5 -15.864  -0.651  -5.972
   43    HE3  MET   5           2HE      MET   5 -15.021   0.027  -7.361
   44    H    ALA   6           H        ALA   6 -11.115   1.215  -3.721
   45    HA   ALA   6           HA       ALA   6  -9.910  -0.970  -5.143
   46    HB1  ALA   6           1HB      ALA   6  -9.443   2.004  -4.896
   47    HB2  ALA   6           2HB      ALA   6 -10.170   1.118  -6.235
   48    HB3  ALA   6           3HB      ALA   6  -8.435   1.003  -5.941
   49    H    ALA   7           H        ALA   7  -8.315   1.430  -2.952
   50    HA   ALA   7           HA       ALA   7  -6.699  -0.691  -1.698
   51    HB1  ALA   7           1HB      ALA   7  -4.597   0.645  -2.571
   52    HB2  ALA   7           2HB      ALA   7  -5.709   1.133  -3.850
   53    HB3  ALA   7           3HB      ALA   7  -5.366  -0.576  -3.585
   54    H    SER   8           H        SER   8  -8.463   1.600  -0.786
   55    HA   SER   8           HA       SER   8  -6.432   2.959   0.955
   56    HB2  SER   8           2HB      SER   8  -7.881   4.980   0.772
   57    HB3  SER   8           1HB      SER   8  -7.244   4.467  -0.785
   58    HG   SER   8           HG       SER   8  -9.771   4.792  -0.075
   59    H    ALA   9           H        ALA   9  -7.968   0.549   1.581
   60    HA   ALA   9           HA       ALA   9  -9.983   1.503   3.555
   61    HB1  ALA   9           1HB      ALA   9 -10.592  -0.293   2.006
   62    HB2  ALA   9           2HB      ALA   9 -10.531  -0.922   3.653
   63    HB3  ALA   9           3HB      ALA   9  -9.205  -1.245   2.538
   64    H    GLY  10           H        GLY  10  -6.703   1.220   3.630
   65    HA2  GLY  10           2HA      GLY  10  -5.457   1.390   5.694
   66    HA3  GLY  10           1HA      GLY  10  -6.709   0.442   6.502
   67    H    GLY  11           H        GLY  11  -6.927  -1.633   4.526
   68    HA2  GLY  11           2HA      GLY  11  -4.710  -3.326   5.331
   69    HA3  GLY  11           1HA      GLY  11  -6.005  -3.777   4.219
   70    H    ALA  12           H        ALA  12  -5.803  -1.988   2.183
   71    HA   ALA  12           HA       ALA  12  -3.578  -2.928   0.632
   72    HB1  ALA  12           1HB      ALA  12  -5.560  -2.200  -0.471
   73    HB2  ALA  12           2HB      ALA  12  -4.346  -0.983  -0.867
   74    HB3  ALA  12           3HB      ALA  12  -5.551  -0.652   0.376
   75    H    VAL  13           H        VAL  13  -4.106   0.123   2.427
   76    HA   VAL  13           HA       VAL  13  -1.718   1.486   1.620
   77    HB   VAL  13           HB       VAL  13  -3.343   1.595   4.192
   78   HG11  VAL  13          1HG1      VAL  13  -2.389   3.932   4.337
   79   HG12  VAL  13          2HG1      VAL  13  -1.258   3.484   3.060
   80   HG13  VAL  13          3HG1      VAL  13  -1.212   2.647   4.613
   81   HG21  VAL  13          3HG2      VAL  13  -3.420   3.343   1.708
   82   HG22  VAL  13          1HG2      VAL  13  -4.446   3.512   3.131
   83   HG23  VAL  13          2HG2      VAL  13  -4.604   2.096   2.095
   84    H    PHE  14           H        PHE  14  -2.371  -0.819   4.262
   85    HA   PHE  14           HA       PHE  14   0.195  -0.684   5.553
   86    HB2  PHE  14           2HB      PHE  14  -2.040  -1.669   6.348
   87    HB3  PHE  14           1HB      PHE  14  -1.644  -3.084   5.374
   88    HD1  PHE  14           1HD      PHE  14  -0.668  -1.057   8.308
   89    HD2  PHE  14           2HD      PHE  14   0.135  -4.601   6.017
   90    HE1  PHE  14           1HE      PHE  14   0.765  -1.919  10.141
   91    HE2  PHE  14           2HE      PHE  14   1.567  -5.462   7.850
   92    HZ   PHE  14           HZ       PHE  14   1.882  -4.121   9.912
   93    H    VAL  15           H        VAL  15  -1.067  -2.746   2.911
   94    HA   VAL  15           HA       VAL  15   1.159  -4.515   2.634
   95    HB   VAL  15           HB       VAL  15  -0.807  -3.407   0.594
   96   HG11  VAL  15          1HG1      VAL  15   0.959  -4.390  -0.665
   97   HG12  VAL  15          2HG1      VAL  15  -0.292  -5.629  -0.571
   98   HG13  VAL  15          3HG1      VAL  15   1.127  -5.729   0.471
   99   HG21  VAL  15          3HG2      VAL  15  -2.329  -4.831   1.466
  100   HG22  VAL  15          1HG2      VAL  15  -1.235  -5.049   2.830
  101   HG23  VAL  15          2HG2      VAL  15  -1.177  -6.164   1.466
  102    H    GLY  16           H        GLY  16   0.492  -1.344   1.102
  103    HA2  GLY  16           2HA      GLY  16   2.869  -1.239  -0.497
  104    HA3  GLY  16           1HA      GLY  16   1.913   0.160  -0.007
  105    H    LEU  17           H        LEU  17   2.168  -0.236   2.846
  106    HA   LEU  17           HA       LEU  17   4.663   1.120   3.341
  107    HB2  LEU  17           2HB      LEU  17   2.368   1.042   4.630
  108    HB3  LEU  17           1HB      LEU  17   3.101  -0.332   5.460
  109    HG   LEU  17           HG       LEU  17   5.155   1.280   5.739
  110   HD11  LEU  17          1HD1      LEU  17   4.645   3.611   5.784
  111   HD12  LEU  17          2HD1      LEU  17   2.918   3.311   5.595
  112   HD13  LEU  17          3HD1      LEU  17   4.017   3.016   4.247
  113   HD21  LEU  17          3HD2      LEU  17   3.955   2.273   7.810
  114   HD22  LEU  17          1HD2      LEU  17   4.050   0.516   7.689
  115   HD23  LEU  17          2HD2      LEU  17   2.553   1.350   7.273
  116    H    VAL  18           H        VAL  18   3.633  -2.284   3.766
  117    HA   VAL  18           HA       VAL  18   5.962  -3.240   5.135
  118    HB   VAL  18           HB       VAL  18   3.912  -4.491   3.278
  119   HG11  VAL  18          1HG1      VAL  18   6.226  -5.802   4.726
  120   HG12  VAL  18          2HG1      VAL  18   5.789  -5.944   3.023
  121   HG13  VAL  18          3HG1      VAL  18   4.779  -6.696   4.256
  122   HG21  VAL  18          3HG2      VAL  18   4.396  -4.721   6.268
  123   HG22  VAL  18          1HG2      VAL  18   3.071  -5.463   5.374
  124   HG23  VAL  18          2HG2      VAL  18   3.165  -3.709   5.516
  125    H    LEU  19           H        LEU  19   5.231  -2.860   1.670
  126    HA   LEU  19           HA       LEU  19   7.649  -4.038   0.631
  127    HB2  LEU  19           2HB      LEU  19   5.333  -2.469  -0.298
  128    HB3  LEU  19           1HB      LEU  19   6.804  -2.157  -1.215
  129    HG   LEU  19           HG       LEU  19   6.998  -4.803  -1.185
  130   HD11  LEU  19          1HD1      LEU  19   4.747  -5.841  -1.336
  131   HD12  LEU  19          2HD1      LEU  19   4.020  -4.301  -0.874
  132   HD13  LEU  19          3HD1      LEU  19   5.052  -5.167   0.265
  133   HD21  LEU  19          3HD2      LEU  19   6.840  -3.542  -3.241
  134   HD22  LEU  19          1HD2      LEU  19   5.144  -3.164  -2.941
  135   HD23  LEU  19          2HD2      LEU  19   5.626  -4.818  -3.316
  136    H    LEU  20           H        LEU  20   6.757  -0.713   1.565
  137    HA   LEU  20           HA       LEU  20   9.231   0.525   0.678
  138    HB2  LEU  20           2HB      LEU  20   6.766   1.409   1.325
  139    HB3  LEU  20           1HB      LEU  20   7.579   1.705   2.862
  140    HG   LEU  20           HG       LEU  20   9.446   2.779   1.359
  141   HD11  LEU  20          1HD1      LEU  20   8.599   3.774  -0.698
  142   HD12  LEU  20          2HD1      LEU  20   7.004   3.075  -0.417
  143   HD13  LEU  20          3HD1      LEU  20   8.376   2.027  -0.773
  144   HD21  LEU  20          3HD2      LEU  20   6.801   3.892   2.229
  145   HD22  LEU  20          1HD2      LEU  20   7.866   4.918   1.268
  146   HD23  LEU  20          2HD2      LEU  20   8.421   4.272   2.810
  147    H    THR  21           H        THR  21   8.054  -0.759   3.800
  148    HA   THR  21           HA       THR  21  10.272   0.125   5.413
  149    HB   THR  21           HB       THR  21   8.300  -2.171   5.671
  150    HG1  THR  21           1HG      THR  21   7.163  -0.368   5.891
  151   HG21  THR  21          3HG2      THR  21  10.446  -1.172   7.515
  152   HG22  THR  21          1HG2      THR  21   9.935  -2.828   7.189
  153   HG23  THR  21          2HG2      THR  21   8.936  -1.777   8.192
  154    H    LEU  22           H        LEU  22   9.893  -2.587   3.195
  155    HA   LEU  22           HA       LEU  22  11.951  -4.317   4.171
  156    HB2  LEU  22           2HB      LEU  22  10.045  -4.601   2.410
  157    HB3  LEU  22           1HB      LEU  22  11.211  -3.947   1.269
  158    HG   LEU  22           HG       LEU  22  11.128  -6.464   1.380
  159   HD11  LEU  22          1HD1      LEU  22  13.851  -5.577   2.270
  160   HD12  LEU  22          2HD1      LEU  22  13.176  -4.937   0.772
  161   HD13  LEU  22          3HD1      LEU  22  13.400  -6.675   0.966
  162   HD21  LEU  22          3HD2      LEU  22  12.566  -6.119   4.025
  163   HD22  LEU  22          1HD2      LEU  22  12.036  -7.623   3.272
  164   HD23  LEU  22          2HD2      LEU  22  10.846  -6.493   3.916
  165    H    SER  23           H        SER  23  12.091  -1.997   1.433
  166    HA   SER  23           HA       SER  23  13.820  -0.692   0.576
  167    HB2  SER  23           2HB      SER  23  14.198  -0.783   3.356
  168    HB3  SER  23           1HB      SER  23  15.786  -1.100   2.667
  169    HG   SER  23           HG       SER  23  14.092   1.132   2.390
  170    HA   PRO  24           HA       PRO  24  16.474  -3.568  -1.451
  171    HB2  PRO  24           2HB      PRO  24  18.284  -1.847  -2.556
  172    HB3  PRO  24           1HB      PRO  24  16.621  -2.016  -3.157
  173    HG2  PRO  24           2HG      PRO  24  17.787   0.077  -1.400
  174    HG3  PRO  24           1HG      PRO  24  16.607   0.230  -2.712
  175    HD2  PRO  24           2HD      PRO  24  15.921   0.258  -0.086
  176    HD3  PRO  24           1HD      PRO  24  14.842  -0.318  -1.376
  177    H    HIS  25           H        HIS  25  18.639  -4.474  -1.304
  178    HA   HIS  25           HA       HIS  25  20.558  -5.167  -0.146
  179    HB2  HIS  25           2HB      HIS  25  20.917  -2.658  -0.983
  180    HB3  HIS  25           1HB      HIS  25  20.979  -2.340   0.750
  181    HD1  HIS  25           1HD      HIS  25  22.632  -4.252   2.047
  182    HD2  HIS  25           2HD      HIS  25  23.406  -3.331  -1.945
  183    HE1  HIS  25           1HE      HIS  25  25.017  -4.970   1.596
  184    H    TYR  26           H        TYR  26  18.321  -5.675   1.345
  185    HA   TYR  26           HA       TYR  26  18.903  -4.678   4.097
  186    HB2  TYR  26           2HB      TYR  26  16.642  -4.868   4.515
  187    HB3  TYR  26           1HB      TYR  26  16.617  -4.535   2.794
  188    HD1  TYR  26           1HD      TYR  26  16.600  -6.655   1.209
  189    HD2  TYR  26           2HD      TYR  26  15.534  -6.728   5.370
  190    HE1  TYR  26           1HE      TYR  26  15.345  -8.761   0.851
  191    HE2  TYR  26           2HE      TYR  26  14.279  -8.838   5.011
  192    HH   TYR  26           HH       TYR  26  13.120  -9.881   2.500
  193    H    LYS  27           H        LYS  27  19.128  -7.569   2.158
  194    HA   LYS  27           HA       LYS  27  20.152  -9.044   4.510
  195    HB2  LYS  27           2HB      LYS  27  17.535  -9.273   3.933
  196    HB3  LYS  27           1HB      LYS  27  18.162 -10.473   2.807
  197    HG2  LYS  27           2HG      LYS  27  17.638 -11.579   4.908
  198    HG3  LYS  27           1HG      LYS  27  19.386 -11.556   4.695
  199    HD2  LYS  27           2HD      LYS  27  18.955 -10.938   6.975
  200    HD3  LYS  27           1HD      LYS  27  19.440  -9.469   6.134
  201    HE2  LYS  27           2HE      LYS  27  16.931  -9.019   5.778
  202    HE3  LYS  27           1HE      LYS  27  16.650 -10.291   6.984
  203    HZ1  LYS  27           3HZ      LYS  27  18.148  -9.120   8.503
  204    HZ2  LYS  27           1HZ      LYS  27  16.831  -8.146   8.066
  205    HZ3  LYS  27           2HZ      LYS  27  18.352  -7.879   7.355
  Start of MODEL    9
    1    H1   MET   1           1HT      MET   1  -8.907   3.582 -16.730
    2    H2   MET   1           2HT      MET   1  -9.564   2.017 -16.804
    3    H3   MET   1           3HT      MET   1  -7.898   2.234 -16.558
    4    HA   MET   1           HA       MET   1  -8.414   3.371 -14.413
    5    HB2  MET   1           2HB      MET   1 -10.897   3.534 -15.557
    6    HB3  MET   1           1HB      MET   1 -11.121   2.159 -14.477
    7    HG2  MET   1           2HG      MET   1  -9.971   3.683 -12.693
    8    HG3  MET   1           1HG      MET   1 -10.397   4.998 -13.789
    9    HE1  MET   1           2HE      MET   1 -12.627   5.647 -14.536
   10    HE2  MET   1           3HE      MET   1 -12.345   6.362 -12.952
   11    HE3  MET   1           1HE      MET   1 -13.933   5.688 -13.357
   12    H    ASP   2           H        ASP   2  -7.255   1.922 -13.207
   13    HA   ASP   2           HA       ASP   2  -8.214  -0.916 -13.039
   14    HB2  ASP   2           2HB      ASP   2  -5.390   0.144 -13.390
   15    HB3  ASP   2           1HB      ASP   2  -5.787  -1.545 -13.079
   16    H    ARG   3           H        ARG   3  -7.577  -1.988 -11.012
   17    HA   ARG   3           HA       ARG   3  -7.734  -0.250  -8.676
   18    HB2  ARG   3           2HB      ARG   3  -7.545  -3.193  -9.242
   19    HB3  ARG   3           1HB      ARG   3  -7.270  -2.624  -7.596
   20    HG2  ARG   3           2HG      ARG   3  -9.462  -1.373  -7.755
   21    HG3  ARG   3           1HG      ARG   3  -9.754  -2.206  -9.282
   22    HD2  ARG   3           2HD      ARG   3  -9.183  -3.670  -6.680
   23    HD3  ARG   3           1HD      ARG   3 -10.820  -3.334  -7.276
   24    HE   ARG   3           HE       ARG   3  -8.843  -5.121  -8.603
   25   HH11  ARG   3          1HH2      ARG   3 -11.497  -6.157  -7.756
   26   HH12  ARG   3          2HH2      ARG   3 -12.416  -6.101  -9.221
   27   HH21  ARG   3          1HH1      ARG   3 -10.200  -3.933 -10.821
   28   HH22  ARG   3          2HH1      ARG   3 -11.674  -4.829 -10.976
   29    H    GLU   4           H        GLU   4  -5.210  -2.502  -9.866
   30    HA   GLU   4           HA       GLU   4  -2.919  -2.672  -9.425
   31    HB2  GLU   4           2HB      GLU   4  -3.411   0.311  -9.452
   32    HB3  GLU   4           1HB      GLU   4  -1.805  -0.412  -9.506
   33    HG2  GLU   4           2HG      GLU   4  -3.919  -1.258 -11.482
   34    HG3  GLU   4           1HG      GLU   4  -2.970   0.200 -11.759
   35    H    MET   5           H        MET   5  -4.560  -2.904  -7.029
   36    HA   MET   5           HA       MET   5  -4.392  -2.918  -4.691
   37    HB2  MET   5           2HB      MET   5  -1.555  -2.897  -5.704
   38    HB3  MET   5           1HB      MET   5  -1.898  -2.979  -3.978
   39    HG2  MET   5           2HG      MET   5  -3.231  -5.004  -4.300
   40    HG3  MET   5           1HG      MET   5  -2.999  -4.905  -6.046
   41    HE1  MET   5           3HE      MET   5  -2.406  -7.539  -4.889
   42    HE2  MET   5           1HE      MET   5  -0.785  -7.919  -5.497
   43    HE3  MET   5           2HE      MET   5  -1.953  -7.106  -6.535
   44    H    ALA   6           H        ALA   6  -5.122  -0.399  -5.530
   45    HA   ALA   6           HA       ALA   6  -3.346   1.629  -4.306
   46    HB1  ALA   6           1HB      ALA   6  -4.715   1.813  -6.483
   47    HB2  ALA   6           2HB      ALA   6  -4.792   3.180  -5.372
   48    HB3  ALA   6           3HB      ALA   6  -6.120   2.020  -5.435
   49    H    ALA   7           H        ALA   7  -6.591   0.217  -3.714
   50    HA   ALA   7           HA       ALA   7  -6.580   1.516  -1.003
   51    HB1  ALA   7           1HB      ALA   7  -8.357   2.414  -2.279
   52    HB2  ALA   7           2HB      ALA   7  -9.125   1.169  -1.294
   53    HB3  ALA   7           3HB      ALA   7  -8.753   0.848  -2.988
   54    H    SER   8           H        SER   8  -8.044  -1.329  -2.652
   55    HA   SER   8           HA       SER   8  -8.501  -3.501  -1.888
   56    HB2  SER   8           2HB      SER   8  -5.877  -3.022  -0.447
   57    HB3  SER   8           1HB      SER   8  -6.551  -4.580  -0.896
   58    HG   SER   8           HG       SER   8  -4.916  -3.338  -2.325
   59    H    ALA   9           H        ALA   9  -9.823  -1.508  -0.361
   60    HA   ALA   9           HA       ALA   9 -10.925  -1.133   1.656
   61    HB1  ALA   9           1HB      ALA   9 -10.379  -4.102   1.900
   62    HB2  ALA   9           2HB      ALA   9 -11.701  -3.382   0.980
   63    HB3  ALA   9           3HB      ALA   9 -11.654  -3.216   2.734
   64    H    GLY  10           H        GLY  10  -8.530  -0.112   2.049
   65    HA2  GLY  10           2HA      GLY  10  -7.080   0.545   3.770
   66    HA3  GLY  10           1HA      GLY  10  -7.995  -0.489   4.861
   67    H    GLY  11           H        GLY  11  -6.789  -2.129   2.072
   68    HA2  GLY  11           2HA      GLY  11  -4.722  -3.444   3.762
   69    HA3  GLY  11           1HA      GLY  11  -5.479  -4.156   2.338
   70    H    ALA  12           H        ALA  12  -5.179  -1.655   0.741
   71    HA   ALA  12           HA       ALA  12  -2.616  -2.187  -0.450
   72    HB1  ALA  12           1HB      ALA  12  -4.518   0.165  -0.612
   73    HB2  ALA  12           2HB      ALA  12  -4.457  -1.225  -1.697
   74    HB3  ALA  12           3HB      ALA  12  -3.135  -0.056  -1.681
   75    H    VAL  13           H        VAL  13  -3.687   0.329   1.851
   76    HA   VAL  13           HA       VAL  13  -1.259   1.863   1.886
   77    HB   VAL  13           HB       VAL  13  -3.461   1.413   3.936
   78   HG11  VAL  13          1HG1      VAL  13  -1.440   2.283   5.046
   79   HG12  VAL  13          2HG1      VAL  13  -2.686   3.528   4.964
   80   HG13  VAL  13          3HG1      VAL  13  -1.325   3.568   3.844
   81   HG21  VAL  13          3HG2      VAL  13  -4.212   2.407   1.807
   82   HG22  VAL  13          1HG2      VAL  13  -2.951   3.634   1.927
   83   HG23  VAL  13          2HG2      VAL  13  -4.268   3.605   3.098
   84    H    PHE  14           H        PHE  14  -2.407  -0.826   3.969
   85    HA   PHE  14           HA       PHE  14  -0.063  -0.962   5.637
   86    HB2  PHE  14           2HB      PHE  14  -2.364  -1.913   6.082
   87    HB3  PHE  14           1HB      PHE  14  -2.013  -3.168   4.894
   88    HD1  PHE  14           2HD      PHE  14  -0.940  -1.725   8.150
   89    HD2  PHE  14           1HD      PHE  14  -0.590  -5.020   5.415
   90    HE1  PHE  14           2HE      PHE  14   0.270  -3.031   9.876
   91    HE2  PHE  14           1HE      PHE  14   0.619  -6.325   7.142
   92    HZ   PHE  14           HZ       PHE  14   1.049  -5.330   9.372
   93    H    VAL  15           H        VAL  15  -1.064  -2.903   2.784
   94    HA   VAL  15           HA       VAL  15   1.261  -4.549   2.593
   95    HB   VAL  15           HB       VAL  15  -0.799  -3.534   0.616
   96   HG11  VAL  15          1HG1      VAL  15   1.184  -4.020  -0.714
   97   HG12  VAL  15          2HG1      VAL  15   0.017  -5.322  -0.932
   98   HG13  VAL  15          3HG1      VAL  15   1.411  -5.555   0.123
   99   HG21  VAL  15          3HG2      VAL  15  -1.352  -5.174   2.505
  100   HG22  VAL  15          1HG2      VAL  15  -0.325  -6.333   1.661
  101   HG23  VAL  15          2HG2      VAL  15  -1.770  -5.698   0.875
  102    H    GLY  16           H        GLY  16   0.580  -1.303   1.256
  103    HA2  GLY  16           2HA      GLY  16   2.939  -1.040  -0.333
  104    HA3  GLY  16           1HA      GLY  16   1.998   0.305   0.317
  105    H    LEU  17           H        LEU  17   2.268  -0.169   3.071
  106    HA   LEU  17           HA       LEU  17   4.806   1.015   3.679
  107    HB2  LEU  17           2HB      LEU  17   2.394   0.110   5.044
  108    HB3  LEU  17           1HB      LEU  17   3.830  -0.261   5.993
  109    HG   LEU  17           HG       LEU  17   4.462   2.250   5.256
  110   HD11  LEU  17          1HD1      LEU  17   1.437   2.257   5.497
  111   HD12  LEU  17          2HD1      LEU  17   2.324   2.497   3.992
  112   HD13  LEU  17          3HD1      LEU  17   2.478   3.667   5.301
  113   HD21  LEU  17          3HD2      LEU  17   3.421   2.957   7.460
  114   HD22  LEU  17          1HD2      LEU  17   4.443   1.523   7.557
  115   HD23  LEU  17          2HD2      LEU  17   2.686   1.356   7.549
  116    H    VAL  18           H        VAL  18   3.658  -2.378   3.959
  117    HA   VAL  18           HA       VAL  18   6.006  -3.487   5.157
  118    HB   VAL  18           HB       VAL  18   3.964  -4.658   3.232
  119   HG11  VAL  18          1HG1      VAL  18   6.161  -5.960   3.524
  120   HG12  VAL  18          2HG1      VAL  18   4.672  -6.829   3.887
  121   HG13  VAL  18          3HG1      VAL  18   5.665  -6.198   5.200
  122   HG21  VAL  18          3HG2      VAL  18   2.556  -4.776   4.996
  123   HG22  VAL  18          1HG2      VAL  18   3.667  -3.710   5.856
  124   HG23  VAL  18          2HG2      VAL  18   3.808  -5.459   6.032
  125    H    LEU  19           H        LEU  19   5.152  -2.924   1.744
  126    HA   LEU  19           HA       LEU  19   7.535  -4.138   0.612
  127    HB2  LEU  19           2HB      LEU  19   5.232  -3.707  -0.429
  128    HB3  LEU  19           1HB      LEU  19   5.735  -2.028  -0.605
  129    HG   LEU  19           HG       LEU  19   7.631  -4.101  -1.603
  130   HD11  LEU  19          1HD1      LEU  19   5.104  -3.345  -3.103
  131   HD12  LEU  19          2HD1      LEU  19   5.410  -4.920  -2.370
  132   HD13  LEU  19          3HD1      LEU  19   6.413  -4.361  -3.707
  133   HD21  LEU  19          3HD2      LEU  19   6.633  -1.565  -2.925
  134   HD22  LEU  19          1HD2      LEU  19   8.157  -2.408  -3.200
  135   HD23  LEU  19          2HD2      LEU  19   7.892  -1.538  -1.690
  136    H    LEU  20           H        LEU  20   6.614  -0.809   1.508
  137    HA   LEU  20           HA       LEU  20   9.041   0.424   0.440
  138    HB2  LEU  20           2HB      LEU  20   6.485   1.192   1.352
  139    HB3  LEU  20           1HB      LEU  20   7.626   1.968   2.445
  140    HG   LEU  20           HG       LEU  20   7.904   2.082  -0.569
  141   HD11  LEU  20          1HD1      LEU  20   6.543   4.025   1.322
  142   HD12  LEU  20          2HD1      LEU  20   5.776   3.110   0.024
  143   HD13  LEU  20          3HD1      LEU  20   6.941   4.378  -0.360
  144   HD21  LEU  20          3HD2      LEU  20   9.022   3.832   1.650
  145   HD22  LEU  20          1HD2      LEU  20   9.381   3.971  -0.070
  146   HD23  LEU  20          2HD2      LEU  20   9.925   2.557   0.833
  147    H    THR  21           H        THR  21   7.931  -0.606   3.674
  148    HA   THR  21           HA       THR  21  10.193   0.513   5.111
  149    HB   THR  21           HB       THR  21   8.180  -1.624   5.868
  150    HG1  THR  21           1HG      THR  21   6.989   0.128   5.524
  151   HG21  THR  21          3HG2      THR  21   8.770  -0.338   8.168
  152   HG22  THR  21          1HG2      THR  21  10.328  -0.206   7.349
  153   HG23  THR  21          2HG2      THR  21   9.615  -1.792   7.638
  154    H    LEU  22           H        LEU  22  10.109  -2.183   3.027
  155    HA   LEU  22           HA       LEU  22  11.579  -4.159   4.396
  156    HB2  LEU  22           2HB      LEU  22  11.775  -5.149   2.318
  157    HB3  LEU  22           1HB      LEU  22  10.413  -4.081   2.072
  158    HG   LEU  22           HG       LEU  22  11.760  -3.897   0.137
  159   HD11  LEU  22          1HD1      LEU  22  12.998  -1.505   1.281
  160   HD12  LEU  22          2HD1      LEU  22  11.278  -1.644   1.631
  161   HD13  LEU  22          3HD1      LEU  22  11.841  -1.667  -0.035
  162   HD21  LEU  22          3HD2      LEU  22  13.847  -4.721   1.697
  163   HD22  LEU  22          1HD2      LEU  22  14.284  -3.040   1.389
  164   HD23  LEU  22          2HD2      LEU  22  14.004  -4.141   0.041
  165    H    SER  23           H        SER  23  12.736  -1.042   3.371
  166    HA   SER  23           HA       SER  23  15.497  -1.520   2.951
  167    HB2  SER  23           2HB      SER  23  14.587   0.907   4.445
  168    HB3  SER  23           1HB      SER  23  15.677   0.785   3.074
  169    HG   SER  23           HG       SER  23  12.993   1.199   3.148
  170    HA   PRO  24           HA       PRO  24  16.633  -2.813   7.085
  171    HB2  PRO  24           2HB      PRO  24  19.344  -2.790   6.729
  172    HB3  PRO  24           1HB      PRO  24  18.298  -4.087   6.113
  173    HG2  PRO  24           2HG      PRO  24  19.455  -1.754   4.668
  174    HG3  PRO  24           1HG      PRO  24  19.282  -3.437   4.141
  175    HD2  PRO  24           2HD      PRO  24  17.603  -1.485   3.330
  176    HD3  PRO  24           1HD      PRO  24  17.084  -3.173   3.543
  177    H    HIS  25           H        HIS  25  17.733  -1.821   8.940
  178    HA   HIS  25           HA       HIS  25  18.033   1.143   8.663
  179    HB2  HIS  25           2HB      HIS  25  17.300  -0.733  10.925
  180    HB3  HIS  25           1HB      HIS  25  17.688   0.963  11.210
  181    HD1  HIS  25           1HD      HIS  25  15.192  -1.213   9.372
  182    HD2  HIS  25           2HD      HIS  25  15.654   2.771  10.507
  183    HE1  HIS  25           1HE      HIS  25  13.000  -0.062   8.847
  184    H    TYR  26           H        TYR  26  20.232  -0.176   7.755
  185    HA   TYR  26           HA       TYR  26  22.197  -0.446   9.962
  186    HB2  TYR  26           2HB      TYR  26  23.476  -1.626   8.396
  187    HB3  TYR  26           1HB      TYR  26  21.839  -1.982   7.866
  188    HD1  TYR  26           1HD      TYR  26  20.903  -0.879   5.841
  189    HD2  TYR  26           2HD      TYR  26  24.960  -0.219   7.101
  190    HE1  TYR  26           1HE      TYR  26  21.438   0.091   3.623
  191    HE2  TYR  26           2HE      TYR  26  25.491   0.748   4.885
  192    HH   TYR  26           HH       TYR  26  24.099   1.924   3.015
  193    H    LYS  27           H        LYS  27  24.386   0.642   9.574
  194    HA   LYS  27           HA       LYS  27  24.025   3.404   8.450
  195    HB2  LYS  27           2HB      LYS  27  25.368   2.374  10.959
  196    HB3  LYS  27           1HB      LYS  27  25.694   3.983  10.317
  197    HG2  LYS  27           2HG      LYS  27  23.915   4.630  11.570
  198    HG3  LYS  27           1HG      LYS  27  22.948   3.928  10.275
  199    HD2  LYS  27           2HD      LYS  27  22.062   2.825  12.115
  200    HD3  LYS  27           1HD      LYS  27  23.317   1.687  11.627
  201    HE2  LYS  27           2HE      LYS  27  24.879   2.845  13.262
  202    HE3  LYS  27           1HE      LYS  27  23.466   3.731  13.867
  203    HZ1  LYS  27           3HZ      LYS  27  23.760   0.773  13.735
  204    HZ2  LYS  27           1HZ      LYS  27  22.342   1.581  14.196
  205    HZ3  LYS  27           2HZ      LYS  27  23.745   1.723  15.143
  Start of MODEL   10
    1    H1   MET   1           1HT      MET   1   2.814 -21.162   4.047
    2    H2   MET   1           2HT      MET   1   1.328 -20.757   4.763
    3    H3   MET   1           3HT      MET   1   2.753 -20.730   5.685
    4    HA   MET   1           HA       MET   1   2.242 -18.476   5.193
    5    HB2  MET   1           2HB      MET   1   4.496 -19.892   3.868
    6    HB3  MET   1           1HB      MET   1   4.219 -18.234   3.339
    7    HG2  MET   1           2HG      MET   1   4.305 -18.906   6.275
    8    HG3  MET   1           1HG      MET   1   5.792 -18.625   5.371
    9    HE1  MET   1           2HE      MET   1   6.008 -15.198   6.698
   10    HE2  MET   1           3HE      MET   1   6.850 -16.359   5.679
   11    HE3  MET   1           1HE      MET   1   6.158 -16.870   7.229
   12    H    ASP   2           H        ASP   2   0.401 -17.778   4.167
   13    HA   ASP   2           HA       ASP   2   0.436 -17.545   1.226
   14    HB2  ASP   2           2HB      ASP   2  -1.920 -18.600   1.180
   15    HB3  ASP   2           1HB      ASP   2  -0.546 -19.686   1.343
   16    H    ARG   3           H        ARG   3  -1.563 -17.059   4.172
   17    HA   ARG   3           HA       ARG   3  -2.857 -15.260   4.894
   18    HB2  ARG   3           2HB      ARG   3  -0.958 -13.897   2.966
   19    HB3  ARG   3           1HB      ARG   3  -2.097 -13.010   3.973
   20    HG2  ARG   3           2HG      ARG   3  -1.002 -13.541   5.939
   21    HG3  ARG   3           1HG      ARG   3  -0.333 -15.039   5.288
   22    HD2  ARG   3           2HD      ARG   3   1.238 -13.766   3.889
   23    HD3  ARG   3           1HD      ARG   3   0.556 -12.241   4.494
   24    HE   ARG   3           HE       ARG   3   1.868 -14.253   6.288
   25   HH11  ARG   3          1HH2      ARG   3   0.266 -12.163   7.654
   26   HH12  ARG   3          2HH2      ARG   3   1.430 -10.918   7.952
   27   HH21  ARG   3          1HH1      ARG   3   3.730 -12.176   5.651
   28   HH22  ARG   3          2HH1      ARG   3   3.414 -10.924   6.802
   29    H    GLU   4           H        GLU   4  -4.523 -16.583   3.594
   30    HA   GLU   4           HA       GLU   4  -5.460 -15.823   1.006
   31    HB2  GLU   4           2HB      GLU   4  -6.804 -16.995   3.456
   32    HB3  GLU   4           1HB      GLU   4  -7.617 -16.854   1.898
   33    HG2  GLU   4           2HG      GLU   4  -6.237 -18.437   0.882
   34    HG3  GLU   4           1HG      GLU   4  -4.922 -18.180   2.028
   35    H    MET   5           H        MET   5  -6.138 -14.458   4.224
   36    HA   MET   5           HA       MET   5  -7.732 -12.273   2.926
   37    HB2  MET   5           2HB      MET   5  -8.016 -13.774   5.532
   38    HB3  MET   5           1HB      MET   5  -8.734 -12.176   5.332
   39    HG2  MET   5           2HG      MET   5 -10.333 -12.927   3.884
   40    HG3  MET   5           1HG      MET   5  -9.250 -14.098   3.129
   41    HE1  MET   5           3HE      MET   5  -9.556 -17.277   4.946
   42    HE2  MET   5           1HE      MET   5  -8.199 -16.136   4.946
   43    HE3  MET   5           2HE      MET   5  -9.153 -16.378   3.488
   44    H    ALA   6           H        ALA   6  -6.173 -12.739   6.128
   45    HA   ALA   6           HA       ALA   6  -4.890 -11.242   7.427
   46    HB1  ALA   6           1HB      ALA   6  -3.430 -11.055   4.780
   47    HB2  ALA   6           2HB      ALA   6  -3.392 -12.486   5.810
   48    HB3  ALA   6           3HB      ALA   6  -2.731 -10.960   6.395
   49    H    ALA   7           H        ALA   7  -7.094  -9.818   6.692
   50    HA   ALA   7           HA       ALA   7  -7.921  -7.640   6.495
   51    HB1  ALA   7           1HB      ALA   7  -5.023  -6.764   6.547
   52    HB2  ALA   7           2HB      ALA   7  -5.884  -7.274   8.000
   53    HB3  ALA   7           3HB      ALA   7  -6.436  -5.864   7.096
   54    H    SER   8           H        SER   8  -8.753  -7.666   4.424
   55    HA   SER   8           HA       SER   8  -6.939  -7.252   2.100
   56    HB2  SER   8           2HB      SER   8  -9.933  -7.739   2.168
   57    HB3  SER   8           1HB      SER   8  -8.849  -7.952   0.798
   58    HG   SER   8           HG       SER   8  -7.834  -9.636   1.966
   59    H    ALA   9           H        ALA   9  -9.948  -5.811   3.451
   60    HA   ALA   9           HA       ALA   9 -10.043  -3.518   1.741
   61    HB1  ALA   9           1HB      ALA   9 -11.451  -2.604   3.651
   62    HB2  ALA   9           2HB      ALA   9 -11.013  -4.048   4.568
   63    HB3  ALA   9           3HB      ALA   9 -11.945  -4.198   3.077
   64    H    GLY  10           H        GLY  10  -8.679  -3.912   5.038
   65    HA2  GLY  10           2HA      GLY  10  -7.228  -1.330   4.725
   66    HA3  GLY  10           1HA      GLY  10  -7.467  -2.190   6.246
   67    H    GLY  11           H        GLY  11  -6.422  -3.812   3.281
   68    HA2  GLY  11           2HA      GLY  11  -3.849  -4.474   4.626
   69    HA3  GLY  11           1HA      GLY  11  -4.618  -5.444   3.373
   70    H    ALA  12           H        ALA  12  -5.197  -3.495   1.450
   71    HA   ALA  12           HA       ALA  12  -2.850  -3.279  -0.070
   72    HB1  ALA  12           1HB      ALA  12  -4.127  -1.754  -1.433
   73    HB2  ALA  12           2HB      ALA  12  -5.155  -1.316  -0.069
   74    HB3  ALA  12           3HB      ALA  12  -5.255  -2.934  -0.765
   75    H    VAL  13           H        VAL  13  -4.245  -0.732   2.049
   76    HA   VAL  13           HA       VAL  13  -2.227   1.253   1.596
   77    HB   VAL  13           HB       VAL  13  -3.943   0.711   4.054
   78   HG11  VAL  13          1HG1      VAL  13  -3.655   3.078   4.547
   79   HG12  VAL  13          2HG1      VAL  13  -2.701   3.304   3.081
   80   HG13  VAL  13          3HG1      VAL  13  -2.066   2.328   4.406
   81   HG21  VAL  13          3HG2      VAL  13  -5.379   2.531   2.947
   82   HG22  VAL  13          1HG2      VAL  13  -5.425   0.939   2.192
   83   HG23  VAL  13          2HG2      VAL  13  -4.451   2.225   1.480
   84    H    PHE  14           H        PHE  14  -2.504  -1.312   4.077
   85    HA   PHE  14           HA       PHE  14  -0.042  -0.663   5.452
   86    HB2  PHE  14           2HB      PHE  14  -2.164  -2.081   6.116
   87    HB3  PHE  14           1HB      PHE  14  -1.264  -3.409   5.383
   88    HD1  PHE  14           2HD      PHE  14  -1.209  -0.841   8.059
   89    HD2  PHE  14           1HD      PHE  14   0.708  -4.319   6.422
   90    HE1  PHE  14           2HE      PHE  14   0.170  -1.045  10.108
   91    HE2  PHE  14           1HE      PHE  14   2.087  -4.522   8.472
   92    HZ   PHE  14           HZ       PHE  14   1.819  -2.886  10.315
   93    H    VAL  15           H        VAL  15  -0.865  -2.947   2.830
   94    HA   VAL  15           HA       VAL  15   1.601  -4.357   2.651
   95    HB   VAL  15           HB       VAL  15  -0.557  -3.608   0.659
   96   HG11  VAL  15          1HG1      VAL  15   0.483  -5.561  -0.693
   97   HG12  VAL  15          2HG1      VAL  15   1.946  -5.246   0.241
   98   HG13  VAL  15          3HG1      VAL  15   1.270  -3.985  -0.790
   99   HG21  VAL  15          3HG2      VAL  15  -1.549  -5.574   1.270
  100   HG22  VAL  15          1HG2      VAL  15  -0.590  -5.376   2.736
  101   HG23  VAL  15          2HG2      VAL  15  -0.009  -6.417   1.438
  102    H    GLY  16           H        GLY  16   0.596  -1.251   1.160
  103    HA2  GLY  16           2HA      GLY  16   2.923  -0.847  -0.447
  104    HA3  GLY  16           1HA      GLY  16   1.878   0.442   0.156
  105    H    LEU  17           H        LEU  17   2.162   0.144   2.905
  106    HA   LEU  17           HA       LEU  17   4.673   1.467   3.431
  107    HB2  LEU  17           2HB      LEU  17   2.249   1.191   4.686
  108    HB3  LEU  17           1HB      LEU  17   3.259   0.137   5.673
  109    HG   LEU  17           HG       LEU  17   4.169   2.919   4.937
  110   HD11  LEU  17          1HD1      LEU  17   2.541   2.123   7.371
  111   HD12  LEU  17          2HD1      LEU  17   1.951   3.101   6.028
  112   HD13  LEU  17          3HD1      LEU  17   3.238   3.713   7.065
  113   HD21  LEU  17          3HD2      LEU  17   5.414   2.611   7.117
  114   HD22  LEU  17          1HD2      LEU  17   5.884   1.472   5.856
  115   HD23  LEU  17          2HD2      LEU  17   4.816   0.953   7.160
  116    H    VAL  18           H        VAL  18   3.515  -1.879   4.001
  117    HA   VAL  18           HA       VAL  18   5.826  -2.886   5.352
  118    HB   VAL  18           HB       VAL  18   3.692  -4.126   3.587
  119   HG11  VAL  18          1HG1      VAL  18   5.411  -5.721   3.354
  120   HG12  VAL  18          2HG1      VAL  18   4.515  -6.305   4.755
  121   HG13  VAL  18          3HG1      VAL  18   6.031  -5.430   4.981
  122   HG21  VAL  18          3HG2      VAL  18   2.706  -4.816   5.644
  123   HG22  VAL  18          1HG2      VAL  18   3.199  -3.145   5.911
  124   HG23  VAL  18          2HG2      VAL  18   4.174  -4.466   6.555
  125    H    LEU  19           H        LEU  19   5.044  -2.690   1.863
  126    HA   LEU  19           HA       LEU  19   7.379  -4.035   0.873
  127    HB2  LEU  19           2HB      LEU  19   5.072  -3.002  -0.171
  128    HB3  LEU  19           1HB      LEU  19   6.245  -1.802  -0.714
  129    HG   LEU  19           HG       LEU  19   6.816  -4.739  -1.056
  130   HD11  LEU  19          1HD1      LEU  19   5.212  -2.977  -2.936
  131   HD12  LEU  19          2HD1      LEU  19   4.602  -4.378  -2.055
  132   HD13  LEU  19          3HD1      LEU  19   5.814  -4.590  -3.317
  133   HD21  LEU  19          3HD2      LEU  19   7.665  -2.163  -2.410
  134   HD22  LEU  19          1HD2      LEU  19   8.029  -3.755  -3.076
  135   HD23  LEU  19          2HD2      LEU  19   8.676  -3.288  -1.504
  136    H    LEU  20           H        LEU  20   6.738  -0.604   1.630
  137    HA   LEU  20           HA       LEU  20   9.160   0.541   0.648
  138    HB2  LEU  20           2HB      LEU  20   7.055   1.696   1.415
  139    HB3  LEU  20           1HB      LEU  20   7.525   1.341   3.076
  140    HG   LEU  20           HG       LEU  20   9.728   2.555   1.615
  141   HD11  LEU  20          1HD1      LEU  20   7.248   4.269   1.920
  142   HD12  LEU  20          2HD1      LEU  20   7.757   3.567   0.383
  143   HD13  LEU  20          3HD1      LEU  20   8.793   4.733   1.207
  144   HD21  LEU  20          3HD2      LEU  20   9.845   3.925   3.573
  145   HD22  LEU  20          1HD2      LEU  20   9.306   2.342   4.136
  146   HD23  LEU  20          2HD2      LEU  20   8.143   3.655   3.951
  147    H    THR  21           H        THR  21   8.396  -1.036   3.754
  148    HA   THR  21           HA       THR  21  11.025  -0.462   4.930
  149    HB   THR  21           HB       THR  21   8.862  -2.404   5.807
  150    HG1  THR  21           1HG      THR  21   9.129   0.392   6.184
  151   HG21  THR  21          3HG2      THR  21  11.305  -2.224   6.846
  152   HG22  THR  21          1HG2      THR  21   9.886  -2.452   7.868
  153   HG23  THR  21          2HG2      THR  21  10.588  -0.846   7.679
  154    H    LEU  22           H        LEU  22   9.325  -3.345   3.640
  155    HA   LEU  22           HA       LEU  22  11.410  -5.253   4.043
  156    HB2  LEU  22           2HB      LEU  22   8.860  -5.364   3.239
  157    HB3  LEU  22           1HB      LEU  22   9.622  -5.411   1.650
  158    HG   LEU  22           HG       LEU  22  11.148  -7.253   2.733
  159   HD11  LEU  22          1HD1      LEU  22   9.968  -6.713   5.010
  160   HD12  LEU  22          2HD1      LEU  22  10.302  -8.394   4.594
  161   HD13  LEU  22          3HD1      LEU  22   8.678  -7.739   4.382
  162   HD21  LEU  22          3HD2      LEU  22   9.495  -8.971   2.052
  163   HD22  LEU  22          1HD2      LEU  22   9.551  -7.643   0.895
  164   HD23  LEU  22          2HD2      LEU  22   8.227  -7.746   2.056
  165    H    SER  23           H        SER  23  10.719  -3.129   1.235
  166    HA   SER  23           HA       SER  23  13.378  -3.903   0.081
  167    HB2  SER  23           2HB      SER  23  10.713  -3.102  -1.062
  168    HB3  SER  23           1HB      SER  23  12.176  -2.850  -2.006
  169    HG   SER  23           HG       SER  23  12.262  -4.935  -2.331
  170    HA   PRO  24           HA       PRO  24  13.884   0.461   1.448
  171    HB2  PRO  24           2HB      PRO  24  16.521   0.227   2.130
  172    HB3  PRO  24           1HB      PRO  24  15.197  -0.206   3.231
  173    HG2  PRO  24           2HG      PRO  24  16.944  -1.960   1.602
  174    HG3  PRO  24           1HG      PRO  24  16.255  -2.224   3.212
  175    HD2  PRO  24           2HD      PRO  24  15.277  -3.345   0.907
  176    HD3  PRO  24           1HD      PRO  24  14.327  -3.088   2.387
  177    H    HIS  25           H        HIS  25  13.640   1.083  -0.796
  178    HA   HIS  25           HA       HIS  25  16.223   1.279  -2.321
  179    HB2  HIS  25           2HB      HIS  25  14.055  -0.288  -2.934
  180    HB3  HIS  25           1HB      HIS  25  13.694   1.178  -3.843
  181    HD1  HIS  25           1HD      HIS  25  16.318  -1.519  -3.506
  182    HD2  HIS  25           2HD      HIS  25  15.387   1.655  -6.045
  183    HE1  HIS  25           1HE      HIS  25  17.841  -1.740  -5.516
  184    H    TYR  26           H        TYR  26  14.902   3.293  -0.509
  185    HA   TYR  26           HA       TYR  26  14.078   5.382  -2.484
  186    HB2  TYR  26           2HB      TYR  26  13.650   4.926   0.474
  187    HB3  TYR  26           1HB      TYR  26  13.361   6.507  -0.252
  188    HD1  TYR  26           1HD      TYR  26  11.625   6.801  -1.996
  189    HD2  TYR  26           2HD      TYR  26  12.190   3.043   0.013
  190    HE1  TYR  26           1HE      TYR  26   9.417   6.029  -2.815
  191    HE2  TYR  26           2HE      TYR  26   9.982   2.274  -0.808
  192    HH   TYR  26           HH       TYR  26   7.651   4.185  -1.873
  193    H    LYS  27           H        LYS  27  16.247   5.854  -3.174
  194    HA   LYS  27           HA       LYS  27  17.646   7.802  -1.493
  195    HB2  LYS  27           2HB      LYS  27  19.776   6.479  -1.496
  196    HB3  LYS  27           1HB      LYS  27  18.497   5.743  -0.540
  197    HG2  LYS  27           2HG      LYS  27  18.635   3.865  -1.765
  198    HG3  LYS  27           1HG      LYS  27  18.269   4.772  -3.231
  199    HD2  LYS  27           2HD      LYS  27  21.043   5.025  -2.184
  200    HD3  LYS  27           1HD      LYS  27  20.601   3.461  -2.864
  201    HE2  LYS  27           2HE      LYS  27  21.124   4.406  -4.874
  202    HE3  LYS  27           1HE      LYS  27  19.556   5.222  -4.732
  203    HZ1  LYS  27           3HZ      LYS  27  20.697   6.984  -3.435
  204    HZ2  LYS  27           1HZ      LYS  27  21.228   6.881  -5.038
  205    HZ3  LYS  27           2HZ      LYS  27  22.185   6.242  -3.789
  Start of MODEL   11
    1    H1   MET   1           1HT      MET   1  -6.789   1.342  10.022
    2    H2   MET   1           2HT      MET   1  -7.662   0.168  10.884
    3    H3   MET   1           3HT      MET   1  -7.029   1.523  11.690
    4    HA   MET   1           HA       MET   1  -9.235   1.508   9.683
    5    HB2  MET   1           2HB      MET   1  -8.950   1.645  12.656
    6    HB3  MET   1           1HB      MET   1 -10.207   2.639  11.924
    7    HG2  MET   1           2HG      MET   1  -9.912  -0.290  11.245
    8    HG3  MET   1           1HG      MET   1 -10.875   0.253  12.618
    9    HE1  MET   1           2HE      MET   1 -12.759  -1.234  11.138
   10    HE2  MET   1           3HE      MET   1 -11.542  -1.373   9.872
   11    HE3  MET   1           1HE      MET   1 -13.174  -0.800   9.483
   12    H    ASP   2           H        ASP   2  -8.975   3.286   8.372
   13    HA   ASP   2           HA       ASP   2  -8.120   5.870   9.635
   14    HB2  ASP   2           2HB      ASP   2  -7.252   4.654   6.991
   15    HB3  ASP   2           1HB      ASP   2  -6.813   6.268   7.546
   16    H    ARG   3           H        ARG   3  -9.786   7.289   9.403
   17    HA   ARG   3           HA       ARG   3 -11.942   6.906   7.471
   18    HB2  ARG   3           2HB      ARG   3 -11.231   8.818   9.662
   19    HB3  ARG   3           1HB      ARG   3 -12.471   9.296   8.503
   20    HG2  ARG   3           2HG      ARG   3 -13.920   7.592   9.126
   21    HG3  ARG   3           1HG      ARG   3 -12.619   6.562   9.724
   22    HD2  ARG   3           2HD      ARG   3 -12.276   8.425  11.523
   23    HD3  ARG   3           1HD      ARG   3 -13.926   8.916  11.082
   24    HE   ARG   3           HE       ARG   3 -13.183   6.229  12.153
   25   HH11  ARG   3          1HH2      ARG   3 -14.922   8.071  13.731
   26   HH12  ARG   3          2HH2      ARG   3 -16.511   7.500  13.355
   27   HH21  ARG   3          1HH1      ARG   3 -15.476   5.705  10.552
   28   HH22  ARG   3          2HH1      ARG   3 -16.828   6.147  11.537
   29    H    GLU   4           H        GLU   4  -9.078   9.004   7.655
   30    HA   GLU   4           HA       GLU   4  -9.721  10.953   5.707
   31    HB2  GLU   4           2HB      GLU   4  -7.148   9.608   6.554
   32    HB3  GLU   4           1HB      GLU   4  -7.165  10.921   5.377
   33    HG2  GLU   4           2HG      GLU   4  -8.456  11.165   8.104
   34    HG3  GLU   4           1HG      GLU   4  -6.780  11.619   7.801
   35    H    MET   5           H        MET   5  -8.276   7.703   5.236
   36    HA   MET   5           HA       MET   5  -8.341   8.031   2.297
   37    HB2  MET   5           2HB      MET   5  -7.410   5.890   4.226
   38    HB3  MET   5           1HB      MET   5  -7.414   5.634   2.483
   39    HG2  MET   5           2HG      MET   5  -5.374   6.601   2.460
   40    HG3  MET   5           1HG      MET   5  -6.199   8.125   2.780
   41    HE1  MET   5           3HE      MET   5  -4.009   5.244   4.150
   42    HE2  MET   5           1HE      MET   5  -5.628   4.848   4.755
   43    HE3  MET   5           2HE      MET   5  -4.342   5.276   5.878
   44    H    ALA   6           H        ALA   6  -9.426   5.268   4.311
   45    HA   ALA   6           HA       ALA   6 -11.337   3.923   4.208
   46    HB1  ALA   6           1HB      ALA   6 -12.152   6.300   4.804
   47    HB2  ALA   6           2HB      ALA   6 -13.355   5.136   4.250
   48    HB3  ALA   6           3HB      ALA   6 -12.743   6.364   3.143
   49    H    ALA   7           H        ALA   7  -9.693   4.492   1.557
   50    HA   ALA   7           HA       ALA   7 -11.752   3.320  -0.283
   51    HB1  ALA   7           1HB      ALA   7 -11.204   5.747  -0.643
   52    HB2  ALA   7           2HB      ALA   7 -10.862   4.722  -2.035
   53    HB3  ALA   7           3HB      ALA   7  -9.545   5.263  -0.995
   54    H    SER   8           H        SER   8  -8.883   2.605   1.294
   55    HA   SER   8           HA       SER   8  -7.751   1.055  -1.001
   56    HB2  SER   8           2HB      SER   8  -6.620   1.888   1.689
   57    HB3  SER   8           1HB      SER   8  -5.736   1.002   0.455
   58    HG   SER   8           HG       SER   8  -6.762   3.649   0.384
   59    H    ALA   9           H        ALA   9 -10.159   0.175   0.492
   60    HA   ALA   9           HA       ALA   9 -11.065  -1.737   1.485
   61    HB1  ALA   9           1HB      ALA   9  -8.506  -3.083   0.640
   62    HB2  ALA   9           2HB      ALA   9  -9.684  -2.516  -0.545
   63    HB3  ALA   9           3HB      ALA   9 -10.144  -3.735   0.643
   64    H    GLY  10           H        GLY  10  -8.990  -0.066   3.148
   65    HA2  GLY  10           2HA      GLY  10  -7.949  -0.195   5.237
   66    HA3  GLY  10           1HA      GLY  10  -9.182  -1.398   5.603
   67    H    GLY  11           H        GLY  11  -6.507  -1.584   3.239
   68    HA2  GLY  11           2HA      GLY  11  -4.918  -3.387   4.879
   69    HA3  GLY  11           1HA      GLY  11  -5.811  -4.246   3.625
   70    H    ALA  12           H        ALA  12  -5.666  -2.546   1.468
   71    HA   ALA  12           HA       ALA  12  -3.207  -3.048   0.230
   72    HB1  ALA  12           1HB      ALA  12  -5.235  -2.323  -0.925
   73    HB2  ALA  12           2HB      ALA  12  -3.911  -1.227  -1.324
   74    HB3  ALA  12           3HB      ALA  12  -5.136  -0.740  -0.152
   75    H    VAL  13           H        VAL  13  -4.132  -0.081   2.009
   76    HA   VAL  13           HA       VAL  13  -1.793   1.470   1.590
   77    HB   VAL  13           HB       VAL  13  -3.867   1.249   3.781
   78   HG11  VAL  13          1HG1      VAL  13  -2.898   3.582   4.456
   79   HG12  VAL  13          2HG1      VAL  13  -1.412   2.995   3.712
   80   HG13  VAL  13          3HG1      VAL  13  -2.118   2.128   5.076
   81   HG21  VAL  13          3HG2      VAL  13  -3.328   3.647   2.061
   82   HG22  VAL  13          1HG2      VAL  13  -4.854   3.070   2.730
   83   HG23  VAL  13          2HG2      VAL  13  -4.134   2.252   1.345
   84    H    PHE  14           H        PHE  14  -2.476  -0.994   4.093
   85    HA   PHE  14           HA       PHE  14   0.012  -0.704   5.531
   86    HB2  PHE  14           2HB      PHE  14  -2.183  -1.772   6.276
   87    HB3  PHE  14           1HB      PHE  14  -1.743  -3.164   5.287
   88    HD1  PHE  14           1HD      PHE  14  -0.881  -1.186   8.284
   89    HD2  PHE  14           2HD      PHE  14   0.092  -4.635   5.915
   90    HE1  PHE  14           1HE      PHE  14   0.546  -2.045  10.120
   91    HE2  PHE  14           2HE      PHE  14   1.518  -5.494   7.753
   92    HZ   PHE  14           HZ       PHE  14   1.745  -4.199   9.857
   93    H    VAL  15           H        VAL  15  -1.038  -2.870   2.876
   94    HA   VAL  15           HA       VAL  15   1.302  -4.506   2.725
   95    HB   VAL  15           HB       VAL  15  -0.683  -3.590   0.610
   96   HG11  VAL  15          1HG1      VAL  15   1.338  -4.468  -0.466
   97   HG12  VAL  15          2HG1      VAL  15   0.021  -5.629  -0.626
   98   HG13  VAL  15          3HG1      VAL  15   1.291  -5.897   0.568
   99   HG21  VAL  15          3HG2      VAL  15  -1.902  -5.575   1.120
  100   HG22  VAL  15          1HG2      VAL  15  -1.489  -4.882   2.689
  101   HG23  VAL  15          2HG2      VAL  15  -0.569  -6.245   2.058
  102    H    GLY  16           H        GLY  16   0.528  -1.371   1.183
  103    HA2  GLY  16           2HA      GLY  16   2.904  -1.175  -0.414
  104    HA3  GLY  16           1HA      GLY  16   1.889   0.183   0.073
  105    H    LEU  17           H        LEU  17   2.150  -0.185   2.922
  106    HA   LEU  17           HA       LEU  17   4.582   1.273   3.443
  107    HB2  LEU  17           2HB      LEU  17   2.221   0.330   4.849
  108    HB3  LEU  17           1HB      LEU  17   3.660   0.101   5.838
  109    HG   LEU  17           HG       LEU  17   4.161   2.590   4.918
  110   HD11  LEU  17          1HD1      LEU  17   1.144   2.456   5.197
  111   HD12  LEU  17          2HD1      LEU  17   1.997   2.611   3.661
  112   HD13  LEU  17          3HD1      LEU  17   2.109   3.895   4.866
  113   HD21  LEU  17          3HD2      LEU  17   4.226   2.111   7.252
  114   HD22  LEU  17          1HD2      LEU  17   2.516   1.684   7.292
  115   HD23  LEU  17          2HD2      LEU  17   3.001   3.366   7.080
  116    H    VAL  18           H        VAL  18   3.683  -2.160   3.922
  117    HA   VAL  18           HA       VAL  18   6.097  -2.992   5.237
  118    HB   VAL  18           HB       VAL  18   4.069  -4.437   3.491
  119   HG11  VAL  18          1HG1      VAL  18   5.049  -6.451   4.893
  120   HG12  VAL  18          2HG1      VAL  18   6.487  -5.432   4.971
  121   HG13  VAL  18          3HG1      VAL  18   5.850  -5.940   3.407
  122   HG21  VAL  18          3HG2      VAL  18   4.470  -4.398   6.502
  123   HG22  VAL  18          1HG2      VAL  18   3.163  -5.197   5.630
  124   HG23  VAL  18          2HG2      VAL  18   3.265  -3.438   5.646
  125    H    LEU  19           H        LEU  19   5.193  -2.741   1.799
  126    HA   LEU  19           HA       LEU  19   7.548  -3.943   0.664
  127    HB2  LEU  19           2HB      LEU  19   5.326  -3.434  -0.438
  128    HB3  LEU  19           1HB      LEU  19   5.785  -1.733  -0.450
  129    HG   LEU  19           HG       LEU  19   7.830  -3.555  -1.560
  130   HD11  LEU  19          1HD1      LEU  19   5.324  -3.035  -3.174
  131   HD12  LEU  19          2HD1      LEU  19   5.600  -4.547  -2.310
  132   HD13  LEU  19          3HD1      LEU  19   6.695  -4.057  -3.601
  133   HD21  LEU  19          3HD2      LEU  19   8.011  -1.102  -1.654
  134   HD22  LEU  19          1HD2      LEU  19   6.482  -1.010  -2.531
  135   HD23  LEU  19          2HD2      LEU  19   7.888  -1.764  -3.284
  136    H    LEU  20           H        LEU  20   6.739  -0.599   1.609
  137    HA   LEU  20           HA       LEU  20   9.160   0.647   0.640
  138    HB2  LEU  20           2HB      LEU  20   6.849   1.625   1.305
  139    HB3  LEU  20           1HB      LEU  20   7.461   1.578   2.958
  140    HG   LEU  20           HG       LEU  20   9.326   2.769   0.997
  141   HD11  LEU  20          1HD1      LEU  20   8.115   4.904   0.875
  142   HD12  LEU  20          2HD1      LEU  20   6.757   4.199   1.751
  143   HD13  LEU  20          3HD1      LEU  20   7.163   3.617   0.136
  144   HD21  LEU  20          3HD2      LEU  20   8.234   3.882   3.595
  145   HD22  LEU  20          1HD2      LEU  20   9.774   4.252   2.819
  146   HD23  LEU  20          2HD2      LEU  20   9.515   2.669   3.552
  147    H    THR  21           H        THR  21   8.291  -1.014   3.644
  148    HA   THR  21           HA       THR  21  10.895  -0.281   4.903
  149    HB   THR  21           HB       THR  21   8.571  -1.840   6.081
  150    HG1  THR  21           1HG      THR  21   7.594   0.020   5.632
  151   HG21  THR  21          3HG2      THR  21   9.540  -0.583   8.159
  152   HG22  THR  21          1HG2      THR  21  10.982  -0.411   7.157
  153   HG23  THR  21          2HG2      THR  21  10.369  -2.016   7.554
  154    H    LEU  22           H        LEU  22  10.940  -2.092   2.628
  155    HA   LEU  22           HA       LEU  22  11.662  -4.676   3.965
  156    HB2  LEU  22           2HB      LEU  22   9.677  -4.801   2.522
  157    HB3  LEU  22           1HB      LEU  22  10.583  -4.110   1.183
  158    HG   LEU  22           HG       LEU  22  12.186  -6.232   1.912
  159   HD11  LEU  22          1HD1      LEU  22  10.649  -8.172   2.112
  160   HD12  LEU  22          2HD1      LEU  22   9.285  -7.062   2.228
  161   HD13  LEU  22          3HD1      LEU  22  10.516  -7.082   3.491
  162   HD21  LEU  22          3HD2      LEU  22  11.419  -7.247  -0.142
  163   HD22  LEU  22          1HD2      LEU  22  11.373  -5.499  -0.371
  164   HD23  LEU  22          2HD2      LEU  22   9.882  -6.386  -0.056
  165    H    SER  23           H        SER  23  12.389  -3.457   0.666
  166    HA   SER  23           HA       SER  23  15.174  -2.855   1.270
  167    HB2  SER  23           2HB      SER  23  15.986  -4.825  -0.189
  168    HB3  SER  23           1HB      SER  23  15.465  -5.193   1.445
  169    HG   SER  23           HG       SER  23  13.964  -5.465  -0.964
  170    HA   PRO  24           HA       PRO  24  14.405  -0.787  -2.595
  171    HB2  PRO  24           2HB      PRO  24  16.890   0.278  -2.982
  172    HB3  PRO  24           1HB      PRO  24  15.741   0.916  -1.790
  173    HG2  PRO  24           2HG      PRO  24  18.130  -0.775  -1.384
  174    HG3  PRO  24           1HG      PRO  24  17.437   0.476  -0.342
  175    HD2  PRO  24           2HD      PRO  24  17.158  -2.246   0.038
  176    HD3  PRO  24           1HD      PRO  24  16.103  -0.999   0.736
  177    H    HIS  25           H        HIS  25  14.117  -2.742  -3.859
  178    HA   HIS  25           HA       HIS  25  16.235  -4.430  -4.818
  179    HB2  HIS  25           2HB      HIS  25  13.469  -3.789  -5.882
  180    HB3  HIS  25           1HB      HIS  25  14.479  -5.090  -6.505
  181    HD1  HIS  25           1HD      HIS  25  11.833  -4.595  -4.206
  182    HD2  HIS  25           2HD      HIS  25  15.351  -6.828  -4.069
  183    HE1  HIS  25           1HE      HIS  25  11.500  -6.345  -2.410
  184    H    TYR  26           H        TYR  26  14.624  -1.593  -6.315
  185    HA   TYR  26           HA       TYR  26  17.023  -1.159  -8.011
  186    HB2  TYR  26           2HB      TYR  26  14.935  -2.634  -8.962
  187    HB3  TYR  26           1HB      TYR  26  14.431  -1.012  -9.440
  188    HD1  TYR  26           1HD      TYR  26  17.187  -3.496  -9.671
  189    HD2  TYR  26           2HD      TYR  26  15.551   0.178 -11.186
  190    HE1  TYR  26           1HE      TYR  26  18.814  -3.541 -11.542
  191    HE2  TYR  26           2HE      TYR  26  17.177   0.131 -13.056
  192    HH   TYR  26           HH       TYR  26  19.617  -1.003 -13.336
  193    H    LYS  27           H        LYS  27  17.005   1.002  -9.008
  194    HA   LYS  27           HA       LYS  27  15.310   2.957  -7.494
  195    HB2  LYS  27           2HB      LYS  27  17.851   2.860  -7.228
  196    HB3  LYS  27           1HB      LYS  27  17.955   3.428  -8.893
  197    HG2  LYS  27           2HG      LYS  27  18.001   5.459  -7.792
  198    HG3  LYS  27           1HG      LYS  27  16.260   5.277  -8.003
  199    HD2  LYS  27           2HD      LYS  27  16.132   4.233  -5.738
  200    HD3  LYS  27           1HD      LYS  27  17.854   4.555  -5.527
  201    HE2  LYS  27           2HE      LYS  27  17.459   6.974  -5.779
  202    HE3  LYS  27           1HE      LYS  27  15.729   6.673  -6.029
  203    HZ1  LYS  27           3HZ      LYS  27  17.284   5.886  -3.616
  204    HZ2  LYS  27           1HZ      LYS  27  15.636   5.575  -3.874
  205    HZ3  LYS  27           2HZ      LYS  27  16.182   7.175  -3.706
  Start of MODEL   12
    1    H1   MET   1           1HT      MET   1 -23.937  -5.900  -4.810
    2    H2   MET   1           2HT      MET   1 -24.210  -6.827  -3.414
    3    H3   MET   1           3HT      MET   1 -23.239  -7.435  -4.670
    4    HA   MET   1           HA       MET   1 -22.563  -4.995  -3.110
    5    HB2  MET   1           2HB      MET   1 -21.118  -6.419  -1.780
    6    HB3  MET   1           1HB      MET   1 -22.744  -7.087  -1.729
    7    HG2  MET   1           2HG      MET   1 -22.091  -8.692  -3.540
    8    HG3  MET   1           1HG      MET   1 -20.445  -8.062  -3.454
    9    HE1  MET   1           2HE      MET   1 -21.228 -11.712  -1.750
   10    HE2  MET   1           3HE      MET   1 -21.400 -10.881  -3.293
   11    HE3  MET   1           1HE      MET   1 -22.732 -10.878  -2.123
   12    H    ASP   2           H        ASP   2 -20.531  -4.133  -3.698
   13    HA   ASP   2           HA       ASP   2 -19.562  -4.898  -6.382
   14    HB2  ASP   2           2HB      ASP   2 -19.965  -2.528  -5.144
   15    HB3  ASP   2           1HB      ASP   2 -18.256  -2.764  -4.771
   16    H    ARG   3           H        ARG   3 -17.046  -4.756  -6.606
   17    HA   ARG   3           HA       ARG   3 -15.603  -6.066  -4.343
   18    HB2  ARG   3           2HB      ARG   3 -15.929  -7.078  -7.189
   19    HB3  ARG   3           1HB      ARG   3 -14.727  -7.713  -6.074
   20    HG2  ARG   3           2HG      ARG   3 -17.670  -7.649  -5.384
   21    HG3  ARG   3           1HG      ARG   3 -16.939  -9.000  -6.240
   22    HD2  ARG   3           2HD      ARG   3 -15.896  -9.784  -4.369
   23    HD3  ARG   3           1HD      ARG   3 -15.464  -8.158  -3.810
   24    HE   ARG   3           HE       ARG   3 -17.979  -7.949  -3.225
   25   HH11  ARG   3          1HH2      ARG   3 -18.818 -10.648  -4.083
   26   HH12  ARG   3          2HH2      ARG   3 -18.720 -11.573  -2.624
   27   HH21  ARG   3          1HH1      ARG   3 -16.715  -9.232  -0.988
   28   HH22  ARG   3          2HH1      ARG   3 -17.513 -10.761  -0.846
   29    H    GLU   4           H        GLU   4 -13.187  -6.482  -5.597
   30    HA   GLU   4           HA       GLU   4 -11.210  -5.435  -6.258
   31    HB2  GLU   4           2HB      GLU   4 -13.358  -4.362  -8.033
   32    HB3  GLU   4           1HB      GLU   4 -11.764  -3.618  -8.129
   33    HG2  GLU   4           2HG      GLU   4 -11.371  -5.314  -9.609
   34    HG3  GLU   4           1HG      GLU   4 -11.043  -6.228  -8.140
   35    H    MET   5           H        MET   5 -12.983  -4.081  -4.039
   36    HA   MET   5           HA       MET   5 -11.467  -1.493  -4.013
   37    HB2  MET   5           2HB      MET   5 -14.043  -1.552  -4.534
   38    HB3  MET   5           1HB      MET   5 -14.195  -1.797  -2.792
   39    HG2  MET   5           2HG      MET   5 -14.296   0.567  -3.123
   40    HG3  MET   5           1HG      MET   5 -12.677   0.236  -2.504
   41    HE1  MET   5           3HE      MET   5 -11.260   2.215  -3.417
   42    HE2  MET   5           1HE      MET   5 -12.926   2.811  -3.492
   43    HE3  MET   5           2HE      MET   5 -11.820   3.102  -4.831
   44    H    ALA   6           H        ALA   6 -13.063  -4.009  -2.046
   45    HA   ALA   6           HA       ALA   6 -12.470  -3.230   0.563
   46    HB1  ALA   6           1HB      ALA   6 -13.801  -5.124   0.268
   47    HB2  ALA   6           2HB      ALA   6 -12.289  -5.831   0.837
   48    HB3  ALA   6           3HB      ALA   6 -12.681  -5.854  -0.882
   49    H    ALA   7           H        ALA   7 -10.229  -4.811  -1.746
   50    HA   ALA   7           HA       ALA   7  -8.094  -4.976   0.292
   51    HB1  ALA   7           1HB      ALA   7  -6.866  -6.067  -1.551
   52    HB2  ALA   7           2HB      ALA   7  -8.161  -5.636  -2.667
   53    HB3  ALA   7           3HB      ALA   7  -8.470  -6.772  -1.354
   54    H    SER   8           H        SER   8  -8.656  -3.212  -2.796
   55    HA   SER   8           HA       SER   8  -6.179  -1.753  -2.745
   56    HB2  SER   8           2HB      SER   8  -7.519  -0.243  -4.353
   57    HB3  SER   8           1HB      SER   8  -7.301  -1.924  -4.809
   58    HG   SER   8           HG       SER   8  -9.458  -1.416  -5.059
   59    H    ALA   9           H        ALA   9  -9.379  -1.031  -1.330
   60    HA   ALA   9           HA       ALA   9  -8.419   1.634  -0.427
   61    HB1  ALA   9           1HB      ALA   9 -10.767   1.919   0.230
   62    HB2  ALA   9           2HB      ALA   9 -11.079   0.210  -0.079
   63    HB3  ALA   9           3HB      ALA   9 -10.682   1.291  -1.416
   64    H    GLY  10           H        GLY  10  -6.739   0.317   0.902
   65    HA2  GLY  10           2HA      GLY  10  -6.735   0.579   3.528
   66    HA3  GLY  10           1HA      GLY  10  -7.867  -0.769   3.435
   67    H    GLY  11           H        GLY  11  -6.985  -2.631   1.952
   68    HA2  GLY  11           2HA      GLY  11  -4.722  -3.809   3.153
   69    HA3  GLY  11           1HA      GLY  11  -5.402  -4.316   1.610
   70    H    ALA  12           H        ALA  12  -4.926  -2.018   0.061
   71    HA   ALA  12           HA       ALA  12  -2.228  -2.361  -0.800
   72    HB1  ALA  12           1HB      ALA  12  -3.876  -1.501  -2.300
   73    HB2  ALA  12           2HB      ALA  12  -2.751  -0.171  -2.024
   74    HB3  ALA  12           3HB      ALA  12  -4.306  -0.196  -1.193
   75    H    VAL  13           H        VAL  13  -3.666   0.033   1.424
   76    HA   VAL  13           HA       VAL  13  -1.344   1.719   1.687
   77    HB   VAL  13           HB       VAL  13  -3.693   1.156   3.538
   78   HG11  VAL  13          1HG1      VAL  13  -1.725   3.469   3.539
   79   HG12  VAL  13          2HG1      VAL  13  -1.814   2.199   4.759
   80   HG13  VAL  13          3HG1      VAL  13  -3.151   3.333   4.568
   81   HG21  VAL  13          3HG2      VAL  13  -4.512   3.339   2.581
   82   HG22  VAL  13          1HG2      VAL  13  -4.420   2.040   1.390
   83   HG23  VAL  13          2HG2      VAL  13  -3.172   3.286   1.436
   84    H    PHE  14           H        PHE  14  -2.545  -1.046   3.646
   85    HA   PHE  14           HA       PHE  14  -0.369  -1.025   5.545
   86    HB2  PHE  14           2HB      PHE  14  -2.625  -2.106   5.814
   87    HB3  PHE  14           1HB      PHE  14  -2.132  -3.330   4.645
   88    HD1  PHE  14           1HD      PHE  14  -1.331  -1.862   7.973
   89    HD2  PHE  14           2HD      PHE  14  -0.701  -5.136   5.264
   90    HE1  PHE  14           1HE      PHE  14  -0.190  -3.133   9.771
   91    HE2  PHE  14           2HE      PHE  14   0.440  -6.404   7.062
   92    HZ   PHE  14           HZ       PHE  14   0.696  -5.403   9.316
   93    H    VAL  15           H        VAL  15  -0.970  -3.014   2.613
   94    HA   VAL  15           HA       VAL  15   1.493  -4.493   2.695
   95    HB   VAL  15           HB       VAL  15  -0.433  -3.727   0.474
   96   HG11  VAL  15          1HG1      VAL  15   2.018  -5.489   0.419
   97   HG12  VAL  15          2HG1      VAL  15   1.538  -4.237  -0.726
   98   HG13  VAL  15          3HG1      VAL  15   0.667  -5.768  -0.680
   99   HG21  VAL  15          3HG2      VAL  15  -1.468  -5.778   0.884
  100   HG22  VAL  15          1HG2      VAL  15  -0.992  -5.305   2.513
  101   HG23  VAL  15          2HG2      VAL  15  -0.025  -6.477   1.619
  102    H    GLY  16           H        GLY  16   0.619  -1.366   1.220
  103    HA2  GLY  16           2HA      GLY  16   3.014  -0.917  -0.259
  104    HA3  GLY  16           1HA      GLY  16   1.936   0.349   0.334
  105    H    LEU  17           H        LEU  17   2.149  -0.197   3.123
  106    HA   LEU  17           HA       LEU  17   4.557   1.241   3.828
  107    HB2  LEU  17           2HB      LEU  17   2.313   1.183   5.010
  108    HB3  LEU  17           1HB      LEU  17   2.721  -0.437   5.572
  109    HG   LEU  17           HG       LEU  17   4.859   1.512   6.069
  110   HD11  LEU  17          1HD1      LEU  17   2.204   1.857   7.503
  111   HD12  LEU  17          2HD1      LEU  17   2.871   2.993   6.329
  112   HD13  LEU  17          3HD1      LEU  17   3.704   2.716   7.859
  113   HD21  LEU  17          3HD2      LEU  17   4.704  -0.790   7.029
  114   HD22  LEU  17          1HD2      LEU  17   3.251  -0.303   7.902
  115   HD23  LEU  17          2HD2      LEU  17   4.800   0.450   8.279
  116    H    VAL  18           H        VAL  18   3.595  -2.201   4.207
  117    HA   VAL  18           HA       VAL  18   6.020  -3.120   5.449
  118    HB   VAL  18           HB       VAL  18   3.936  -4.475   3.689
  119   HG11  VAL  18          1HG1      VAL  18   6.086  -5.754   3.751
  120   HG12  VAL  18          2HG1      VAL  18   4.758  -6.605   4.538
  121   HG13  VAL  18          3HG1      VAL  18   5.979  -5.785   5.511
  122   HG21  VAL  18          3HG2      VAL  18   2.904  -5.154   5.737
  123   HG22  VAL  18          1HG2      VAL  18   3.266  -3.439   5.935
  124   HG23  VAL  18          2HG2      VAL  18   4.300  -4.651   6.690
  125    H    LEU  19           H        LEU  19   4.998  -2.846   2.049
  126    HA   LEU  19           HA       LEU  19   7.335  -3.998   0.822
  127    HB2  LEU  19           2HB      LEU  19   5.084  -3.626  -0.218
  128    HB3  LEU  19           1HB      LEU  19   5.396  -1.892  -0.200
  129    HG   LEU  19           HG       LEU  19   7.609  -3.355  -1.415
  130   HD11  LEU  19          1HD1      LEU  19   4.950  -3.516  -2.859
  131   HD12  LEU  19          2HD1      LEU  19   5.656  -4.875  -1.985
  132   HD13  LEU  19          3HD1      LEU  19   6.496  -4.189  -3.375
  133   HD21  LEU  19          3HD2      LEU  19   7.300  -1.678  -3.152
  134   HD22  LEU  19          1HD2      LEU  19   7.103  -0.898  -1.583
  135   HD23  LEU  19          2HD2      LEU  19   5.684  -1.299  -2.553
  136    H    LEU  20           H        LEU  20   6.452  -0.657   1.736
  137    HA   LEU  20           HA       LEU  20   8.668   0.733   0.604
  138    HB2  LEU  20           2HB      LEU  20   6.398   1.293   2.127
  139    HB3  LEU  20           1HB      LEU  20   7.722   1.764   3.183
  140    HG   LEU  20           HG       LEU  20   8.578   2.807   0.808
  141   HD11  LEU  20          1HD1      LEU  20   5.577   2.642   0.766
  142   HD12  LEU  20          2HD1      LEU  20   6.725   2.431  -0.556
  143   HD13  LEU  20          3HD1      LEU  20   6.381   4.045   0.062
  144   HD21  LEU  20          3HD2      LEU  20   6.817   4.002   2.966
  145   HD22  LEU  20          1HD2      LEU  20   7.548   4.977   1.691
  146   HD23  LEU  20          2HD2      LEU  20   8.573   4.099   2.824
  147    H    THR  21           H        THR  21   8.327  -0.962   3.728
  148    HA   THR  21           HA       THR  21  10.904  -0.120   4.782
  149    HB   THR  21           HB       THR  21   9.096  -2.465   5.482
  150    HG1  THR  21           1HG      THR  21   7.872  -0.829   6.022
  151   HG21  THR  21          3HG2      THR  21  11.459  -2.564   6.370
  152   HG22  THR  21          1HG2      THR  21  10.212  -2.497   7.614
  153   HG23  THR  21          2HG2      THR  21  11.135  -1.051   7.215
  154    H    LEU  22           H        LEU  22   9.761  -2.871   2.837
  155    HA   LEU  22           HA       LEU  22  12.188  -4.443   3.065
  156    HB2  LEU  22           2HB      LEU  22   9.608  -4.495   1.644
  157    HB3  LEU  22           1HB      LEU  22  10.929  -5.181   0.705
  158    HG   LEU  22           HG       LEU  22   9.795  -6.900   2.062
  159   HD11  LEU  22          1HD1      LEU  22  12.552  -6.350   3.183
  160   HD12  LEU  22          2HD1      LEU  22  12.270  -7.004   1.569
  161   HD13  LEU  22          3HD1      LEU  22  11.763  -7.915   2.991
  162   HD21  LEU  22          3HD2      LEU  22   9.564  -6.788   4.377
  163   HD22  LEU  22          1HD2      LEU  22   9.356  -5.093   3.941
  164   HD23  LEU  22          2HD2      LEU  22  10.906  -5.660   4.562
  165    H    SER  23           H        SER  23  10.857  -2.684   0.228
  166    HA   SER  23           HA       SER  23  11.894  -1.626  -1.581
  167    HB2  SER  23           2HB      SER  23  13.755  -1.087   0.736
  168    HB3  SER  23           1HB      SER  23  14.009  -0.370  -0.850
  169    HG   SER  23           HG       SER  23  11.872  -0.030   0.975
  170    HA   PRO  24           HA       PRO  24  14.604  -5.167  -2.621
  171    HB2  PRO  24           2HB      PRO  24  13.635  -5.525  -5.149
  172    HB3  PRO  24           1HB      PRO  24  12.863  -6.212  -3.707
  173    HG2  PRO  24           2HG      PRO  24  12.090  -3.854  -5.317
  174    HG3  PRO  24           1HG      PRO  24  11.076  -5.022  -4.456
  175    HD2  PRO  24           2HD      PRO  24  11.676  -2.485  -3.557
  176    HD3  PRO  24           1HD      PRO  24  11.126  -3.827  -2.533
  177    H    HIS  25           H        HIS  25  16.315  -3.487  -2.540
  178    HA   HIS  25           HA       HIS  25  16.946  -2.177  -5.163
  179    HB2  HIS  25           2HB      HIS  25  16.710  -0.842  -3.024
  180    HB3  HIS  25           1HB      HIS  25  18.111  -1.707  -2.396
  181    HD1  HIS  25           1HD      HIS  25  20.389  -1.405  -3.812
  182    HD2  HIS  25           2HD      HIS  25  17.337   1.295  -4.702
  183    HE1  HIS  25           1HE      HIS  25  21.465   0.498  -5.087
  184    H    TYR  26           H        TYR  26  18.531  -3.940  -2.469
  185    HA   TYR  26           HA       TYR  26  20.823  -4.658  -4.212
  186    HB2  TYR  26           2HB      TYR  26  20.822  -3.844  -1.722
  187    HB3  TYR  26           1HB      TYR  26  20.371  -5.507  -1.351
  188    HD1  TYR  26           2HD      TYR  26  21.866  -7.398  -2.114
  189    HD2  TYR  26           1HD      TYR  26  23.061  -3.275  -2.323
  190    HE1  TYR  26           2HE      TYR  26  24.235  -8.094  -2.337
  191    HE2  TYR  26           1HE      TYR  26  25.429  -3.974  -2.547
  192    HH   TYR  26           HH       TYR  26  26.675  -6.541  -1.699
  193    H    LYS  27           H        LYS  27  18.256  -6.245  -2.293
  194    HA   LYS  27           HA       LYS  27  18.759  -8.797  -3.776
  195    HB2  LYS  27           2HB      LYS  27  17.781  -9.884  -1.821
  196    HB3  LYS  27           1HB      LYS  27  19.076  -8.808  -1.310
  197    HG2  LYS  27           2HG      LYS  27  17.529  -7.162  -0.523
  198    HG3  LYS  27           1HG      LYS  27  16.173  -7.946  -1.334
  199    HD2  LYS  27           2HD      LYS  27  16.926 -10.001   0.198
  200    HD3  LYS  27           1HD      LYS  27  17.554  -8.697   1.207
  201    HE2  LYS  27           2HE      LYS  27  15.269  -7.598   1.059
  202    HE3  LYS  27           1HE      LYS  27  14.684  -9.088   0.296
  203    HZ1  LYS  27           3HZ      LYS  27  15.986  -8.863   2.961
  204    HZ2  LYS  27           1HZ      LYS  27  15.587 -10.332   2.212
  205    HZ3  LYS  27           2HZ      LYS  27  14.360  -9.245   2.658
  Start of MODEL   13
    1    H1   MET   1           1HT      MET   1  -8.627   6.754  -6.794
    2    H2   MET   1           2HT      MET   1 -10.154   6.026  -6.963
    3    H3   MET   1           3HT      MET   1  -9.626   6.564  -5.441
    4    HA   MET   1           HA       MET   1  -9.751   8.855  -6.110
    5    HB2  MET   1           2HB      MET   1 -10.078   7.489  -8.774
    6    HB3  MET   1           1HB      MET   1 -10.711   9.119  -8.549
    7    HG2  MET   1           2HG      MET   1  -7.861   8.392  -7.839
    8    HG3  MET   1           1HG      MET   1  -8.318   8.948  -9.447
    9    HE1  MET   1           2HE      MET   1  -6.222  10.179  -7.418
   10    HE2  MET   1           3HE      MET   1  -6.482  11.913  -7.577
   11    HE3  MET   1           1HE      MET   1  -6.464  10.878  -9.015
   12    H    ASP   2           H        ASP   2 -11.489   9.089  -4.740
   13    HA   ASP   2           HA       ASP   2 -13.692   9.292  -4.013
   14    HB2  ASP   2           2HB      ASP   2 -13.735  10.042  -6.549
   15    HB3  ASP   2           1HB      ASP   2 -14.676   8.569  -6.758
   16    H    ARG   3           H        ARG   3 -14.253   6.752  -6.485
   17    HA   ARG   3           HA       ARG   3 -15.493   5.046  -4.421
   18    HB2  ARG   3           2HB      ARG   3 -16.079   3.646  -6.406
   19    HB3  ARG   3           1HB      ARG   3 -16.576   5.322  -6.592
   20    HG2  ARG   3           2HG      ARG   3 -13.890   4.984  -7.620
   21    HG3  ARG   3           1HG      ARG   3 -14.966   3.795  -8.351
   22    HD2  ARG   3           2HD      ARG   3 -16.556   5.996  -8.507
   23    HD3  ARG   3           1HD      ARG   3 -14.957   6.754  -8.640
   24    HE   ARG   3           HE       ARG   3 -14.476   5.151 -10.514
   25   HH11  ARG   3          1HH1      ARG   3 -16.940   7.036 -10.995
   26   HH12  ARG   3          2HH1      ARG   3 -17.992   5.940 -11.824
   27   HH21  ARG   3          1HH2      ARG   3 -16.166   3.110 -10.930
   28   HH22  ARG   3          2HH2      ARG   3 -17.550   3.699 -11.785
   29    H    GLU   4           H        GLU   4 -13.213   5.041  -3.402
   30    HA   GLU   4           HA       GLU   4 -11.920   2.458  -3.999
   31    HB2  GLU   4           2HB      GLU   4 -10.858   3.974  -5.579
   32    HB3  GLU   4           1HB      GLU   4 -10.585   5.164  -4.312
   33    HG2  GLU   4           2HG      GLU   4  -9.301   3.047  -3.216
   34    HG3  GLU   4           1HG      GLU   4  -9.085   2.674  -4.928
   35    H    MET   5           H        MET   5 -11.250   5.538  -2.259
   36    HA   MET   5           HA       MET   5  -9.967   4.537   0.020
   37    HB2  MET   5           2HB      MET   5 -10.711   6.636   1.084
   38    HB3  MET   5           1HB      MET   5 -10.169   6.905  -0.569
   39    HG2  MET   5           2HG      MET   5 -12.725   6.574  -1.151
   40    HG3  MET   5           1HG      MET   5 -12.959   6.975   0.548
   41    HE1  MET   5           3HE      MET   5 -13.428   9.130   1.275
   42    HE2  MET   5           1HE      MET   5 -12.448  10.567   0.930
   43    HE3  MET   5           2HE      MET   5 -11.713   9.146   1.666
   44    H    ALA   6           H        ALA   6 -13.443   4.459  -0.651
   45    HA   ALA   6           HA       ALA   6 -14.411   3.973   2.000
   46    HB1  ALA   6           1HB      ALA   6 -15.449   3.110  -0.717
   47    HB2  ALA   6           2HB      ALA   6 -15.801   4.640   0.088
   48    HB3  ALA   6           3HB      ALA   6 -16.395   3.126   0.771
   49    H    ALA   7           H        ALA   7 -13.541   1.655  -0.613
   50    HA   ALA   7           HA       ALA   7 -13.438  -0.518   1.460
   51    HB1  ALA   7           1HB      ALA   7 -15.230  -0.645  -0.295
   52    HB2  ALA   7           2HB      ALA   7 -14.124  -2.018  -0.327
   53    HB3  ALA   7           3HB      ALA   7 -13.965  -0.729  -1.520
   54    H    SER   8           H        SER   8 -12.033   0.349  -1.736
   55    HA   SER   8           HA       SER   8  -9.658  -1.302  -1.322
   56    HB2  SER   8           2HB      SER   8 -11.003  -0.138  -3.458
   57    HB3  SER   8           1HB      SER   8  -9.531   0.817  -3.350
   58    HG   SER   8           HG       SER   8  -9.252  -1.051  -4.641
   59    H    ALA   9           H        ALA   9  -7.507   0.157  -2.024
   60    HA   ALA   9           HA       ALA   9  -5.924   1.768  -1.422
   61    HB1  ALA   9           1HB      ALA   9  -6.671   3.882  -0.905
   62    HB2  ALA   9           2HB      ALA   9  -7.892   3.296   0.223
   63    HB3  ALA   9           3HB      ALA   9  -8.175   3.194  -1.514
   64    H    GLY  10           H        GLY  10  -8.153   1.170   1.364
   65    HA2  GLY  10           2HA      GLY  10  -6.338   1.511   3.466
   66    HA3  GLY  10           1HA      GLY  10  -7.677   0.367   3.517
   67    H    GLY  11           H        GLY  11  -7.019  -1.593   1.783
   68    HA2  GLY  11           2HA      GLY  11  -5.017  -3.119   3.134
   69    HA3  GLY  11           1HA      GLY  11  -5.708  -3.527   1.563
   70    H    ALA  12           H        ALA  12  -4.910  -1.216   0.125
   71    HA   ALA  12           HA       ALA  12  -2.268  -1.897  -0.727
   72    HB1  ALA  12           1HB      ALA  12  -3.657   0.770  -1.076
   73    HB2  ALA  12           2HB      ALA  12  -4.141  -0.676  -1.965
   74    HB3  ALA  12           3HB      ALA  12  -2.523  -0.009  -2.178
   75    H    VAL  13           H        VAL  13  -3.422   0.511   1.637
   76    HA   VAL  13           HA       VAL  13  -0.924   1.935   1.927
   77    HB   VAL  13           HB       VAL  13  -3.316   1.543   3.764
   78   HG11  VAL  13          1HG1      VAL  13  -1.274   2.251   5.014
   79   HG12  VAL  13          2HG1      VAL  13  -2.519   3.499   4.995
   80   HG13  VAL  13          3HG1      VAL  13  -1.121   3.635   3.929
   81   HG21  VAL  13          3HG2      VAL  13  -4.306   3.270   2.653
   82   HG22  VAL  13          1HG2      VAL  13  -3.193   2.852   1.353
   83   HG23  VAL  13          2HG2      VAL  13  -2.790   4.151   2.474
   84    H    PHE  14           H        PHE  14  -2.406  -0.773   3.772
   85    HA   PHE  14           HA       PHE  14  -0.190  -1.070   5.612
   86    HB2  PHE  14           2HB      PHE  14  -2.684  -1.896   5.683
   87    HB3  PHE  14           1HB      PHE  14  -2.053  -3.301   4.822
   88    HD1  PHE  14           1HD      PHE  14  -0.209  -4.673   5.848
   89    HD2  PHE  14           2HD      PHE  14  -2.230  -1.560   8.014
   90    HE1  PHE  14           1HE      PHE  14   0.654  -5.595   7.981
   91    HE2  PHE  14           2HE      PHE  14  -1.368  -2.485  10.146
   92    HZ   PHE  14           HZ       PHE  14   0.074  -4.502  10.129
   93    H    VAL  15           H        VAL  15  -1.116  -2.845   2.627
   94    HA   VAL  15           HA       VAL  15   1.143  -4.636   2.618
   95    HB   VAL  15           HB       VAL  15  -0.718  -3.583   0.459
   96   HG11  VAL  15          1HG1      VAL  15   0.056  -5.688  -0.781
   97   HG12  VAL  15          2HG1      VAL  15   1.421  -5.721   0.335
   98   HG13  VAL  15          3HG1      VAL  15   1.196  -4.344  -0.744
   99   HG21  VAL  15          3HG2      VAL  15  -1.466  -5.084   2.485
  100   HG22  VAL  15          1HG2      VAL  15  -0.662  -6.372   1.588
  101   HG23  VAL  15          2HG2      VAL  15  -2.008  -5.497   0.859
  102    H    GLY  16           H        GLY  16   0.566  -1.461   1.073
  103    HA2  GLY  16           2HA      GLY  16   3.058  -1.271  -0.319
  104    HA3  GLY  16           1HA      GLY  16   2.036   0.096   0.134
  105    H    LEU  17           H        LEU  17   2.066  -0.330   2.974
  106    HA   LEU  17           HA       LEU  17   4.430   1.075   3.764
  107    HB2  LEU  17           2HB      LEU  17   2.276   1.075   4.976
  108    HB3  LEU  17           1HB      LEU  17   2.486  -0.631   5.359
  109    HG   LEU  17           HG       LEU  17   4.846   0.838   6.154
  110   HD11  LEU  17          1HD1      LEU  17   3.877   2.273   7.868
  111   HD12  LEU  17          2HD1      LEU  17   2.248   1.789   7.397
  112   HD13  LEU  17          3HD1      LEU  17   3.239   2.745   6.293
  113   HD21  LEU  17          3HD2      LEU  17   4.196  -1.336   7.065
  114   HD22  LEU  17          1HD2      LEU  17   2.685  -0.661   7.676
  115   HD23  LEU  17          2HD2      LEU  17   4.225  -0.149   8.368
  116    H    VAL  18           H        VAL  18   3.573  -2.399   3.984
  117    HA   VAL  18           HA       VAL  18   5.961  -3.280   5.323
  118    HB   VAL  18           HB       VAL  18   3.992  -4.640   3.445
  119   HG11  VAL  18          1HG1      VAL  18   6.356  -5.709   4.956
  120   HG12  VAL  18          2HG1      VAL  18   5.767  -6.142   3.352
  121   HG13  VAL  18          3HG1      VAL  18   4.919  -6.717   4.787
  122   HG21  VAL  18          3HG2      VAL  18   2.918  -5.419   5.439
  123   HG22  VAL  18          1HG2      VAL  18   3.211  -3.699   5.694
  124   HG23  VAL  18          2HG2      VAL  18   4.263  -4.893   6.451
  125    H    LEU  19           H        LEU  19   5.119  -2.909   1.881
  126    HA   LEU  19           HA       LEU  19   7.569  -3.988   0.791
  127    HB2  LEU  19           2HB      LEU  19   5.163  -2.507  -0.112
  128    HB3  LEU  19           1HB      LEU  19   6.596  -2.264  -1.103
  129    HG   LEU  19           HG       LEU  19   5.237  -4.149  -1.928
  130   HD11  LEU  19          1HD1      LEU  19   7.703  -5.376  -0.723
  131   HD12  LEU  19          2HD1      LEU  19   7.846  -4.094  -1.924
  132   HD13  LEU  19          3HD1      LEU  19   7.023  -5.599  -2.334
  133   HD21  LEU  19          3HD2      LEU  19   5.123  -6.231  -0.547
  134   HD22  LEU  19          1HD2      LEU  19   4.233  -4.889   0.171
  135   HD23  LEU  19          2HD2      LEU  19   5.815  -5.339   0.807
  136    H    LEU  20           H        LEU  20   6.476  -0.678   1.574
  137    HA   LEU  20           HA       LEU  20   8.744   0.749   0.583
  138    HB2  LEU  20           2HB      LEU  20   6.400   1.527   1.405
  139    HB3  LEU  20           1HB      LEU  20   7.140   1.555   3.005
  140    HG   LEU  20           HG       LEU  20   8.958   3.027   2.050
  141   HD11  LEU  20          1HD1      LEU  20   8.216   4.248  -0.089
  142   HD12  LEU  20          2HD1      LEU  20   7.104   2.901  -0.337
  143   HD13  LEU  20          3HD1      LEU  20   8.844   2.613  -0.290
  144   HD21  LEU  20          3HD2      LEU  20   7.111   3.997   3.330
  145   HD22  LEU  20          1HD2      LEU  20   6.092   4.018   1.890
  146   HD23  LEU  20          2HD2      LEU  20   7.511   5.060   1.982
  147    H    THR  21           H        THR  21   8.163  -0.850   3.723
  148    HA   THR  21           HA       THR  21  10.512   0.197   5.052
  149    HB   THR  21           HB       THR  21   8.808  -2.284   5.482
  150    HG1  THR  21           1HG      THR  21   7.551  -0.613   5.949
  151   HG21  THR  21          3HG2      THR  21  10.735  -2.801   6.697
  152   HG22  THR  21          1HG2      THR  21   9.765  -1.943   7.893
  153   HG23  THR  21          2HG2      THR  21  11.079  -1.111   7.063
  154    H    LEU  22           H        LEU  22   9.931  -2.576   2.915
  155    HA   LEU  22           HA       LEU  22  12.408  -3.970   3.417
  156    HB2  LEU  22           2HB      LEU  22  10.361  -3.917   1.194
  157    HB3  LEU  22           1HB      LEU  22  11.787  -4.947   1.102
  158    HG   LEU  22           HG       LEU  22  10.083  -5.009   3.576
  159   HD11  LEU  22          1HD1      LEU  22   8.540  -6.524   2.645
  160   HD12  LEU  22          2HD1      LEU  22   9.545  -6.820   1.225
  161   HD13  LEU  22          3HD1      LEU  22   8.694  -5.286   1.400
  162   HD21  LEU  22          3HD2      LEU  22  11.703  -7.105   2.088
  163   HD22  LEU  22          1HD2      LEU  22  10.933  -7.314   3.661
  164   HD23  LEU  22          2HD2      LEU  22  12.277  -6.187   3.480
  165    H    SER  23           H        SER  23  11.412  -1.887   0.660
  166    HA   SER  23           HA       SER  23  12.642  -0.523  -0.788
  167    HB2  SER  23           2HB      SER  23  13.441   0.068   1.704
  168    HB3  SER  23           1HB      SER  23  14.971  -0.531   1.075
  169    HG   SER  23           HG       SER  23  15.129   1.277   0.006
  170    HA   PRO  24           HA       PRO  24  15.163  -3.926  -2.467
  171    HB2  PRO  24           2HB      PRO  24  14.293  -3.673  -5.044
  172    HB3  PRO  24           1HB      PRO  24  13.387  -4.557  -3.803
  173    HG2  PRO  24           2HG      PRO  24  12.854  -1.922  -4.988
  174    HG3  PRO  24           1HG      PRO  24  11.740  -3.089  -4.268
  175    HD2  PRO  24           2HD      PRO  24  12.734  -0.743  -3.073
  176    HD3  PRO  24           1HD      PRO  24  11.810  -2.039  -2.281
  177    H    HIS  25           H        HIS  25  16.603  -1.795  -1.821
  178    HA   HIS  25           HA       HIS  25  18.384  -0.393  -2.395
  179    HB2  HIS  25           2HB      HIS  25  18.242  -2.440  -4.601
  180    HB3  HIS  25           1HB      HIS  25  19.434  -1.145  -4.685
  181    HD1  HIS  25           1HD      HIS  25  18.296  -3.842  -2.231
  182    HD2  HIS  25           2HD      HIS  25  21.707  -1.641  -3.187
  183    HE1  HIS  25           1HE      HIS  25  20.164  -4.753  -0.788
  184    H    TYR  26           H        TYR  26  15.783   0.648  -2.935
  185    HA   TYR  26           HA       TYR  26  16.269   2.286  -5.403
  186    HB2  TYR  26           2HB      TYR  26  13.994   0.712  -4.423
  187    HB3  TYR  26           1HB      TYR  26  13.544   2.368  -4.826
  188    HD1  TYR  26           1HD      TYR  26  14.285   3.293  -7.112
  189    HD2  TYR  26           2HD      TYR  26  14.327  -0.889  -6.129
  190    HE1  TYR  26           1HE      TYR  26  14.329   2.725  -9.525
  191    HE2  TYR  26           2HE      TYR  26  14.372  -1.457  -8.542
  192    HH   TYR  26           HH       TYR  26  13.473   0.289 -10.859
  193    H    LYS  27           H        LYS  27  17.334   3.968  -4.229
  194    HA   LYS  27           HA       LYS  27  15.515   5.718  -2.662
  195    HB2  LYS  27           2HB      LYS  27  16.889   4.003  -1.243
  196    HB3  LYS  27           1HB      LYS  27  18.258   5.054  -1.600
  197    HG2  LYS  27           2HG      LYS  27  15.951   6.616  -0.776
  198    HG3  LYS  27           1HG      LYS  27  16.353   5.404   0.437
  199    HD2  LYS  27           2HD      LYS  27  17.727   7.175   1.077
  200    HD3  LYS  27           1HD      LYS  27  18.817   6.230   0.064
  201    HE2  LYS  27           2HE      LYS  27  18.688   7.741  -1.725
  202    HE3  LYS  27           1HE      LYS  27  17.136   8.406  -1.181
  203    HZ1  LYS  27           3HZ      LYS  27  18.995   9.895  -0.662
  204    HZ2  LYS  27           1HZ      LYS  27  19.714   8.683   0.280
  205    HZ3  LYS  27           2HZ      LYS  27  18.219   9.347   0.746
  Start of MODEL   14
    1    H1   MET   1           1HT      MET   1 -21.011  -2.658   6.788
    2    H2   MET   1           2HT      MET   1 -19.362  -2.975   6.543
    3    H3   MET   1           3HT      MET   1 -20.454  -4.259   6.749
    4    HA   MET   1           HA       MET   1 -19.947  -4.129   4.428
    5    HB2  MET   1           2HB      MET   1 -22.329  -4.450   5.382
    6    HB3  MET   1           1HB      MET   1 -22.630  -2.793   4.860
    7    HG2  MET   1           2HG      MET   1 -21.901  -3.447   2.551
    8    HG3  MET   1           1HG      MET   1 -21.788  -5.118   3.106
    9    HE1  MET   1           2HE      MET   1 -23.512  -5.365   0.873
   10    HE2  MET   1           3HE      MET   1 -23.501  -3.605   0.794
   11    HE3  MET   1           1HE      MET   1 -25.037  -4.488   0.803
   12    H    ASP   2           H        ASP   2 -18.251  -2.437   4.307
   13    HA   ASP   2           HA       ASP   2 -19.168  -0.084   2.778
   14    HB2  ASP   2           2HB      ASP   2 -17.822   1.412   4.355
   15    HB3  ASP   2           1HB      ASP   2 -19.330   0.782   5.005
   16    H    ARG   3           H        ARG   3 -17.566   0.584   1.310
   17    HA   ARG   3           HA       ARG   3 -14.957  -0.883   1.444
   18    HB2  ARG   3           2HB      ARG   3 -15.049  -0.907  -1.005
   19    HB3  ARG   3           1HB      ARG   3 -16.515  -1.611  -0.335
   20    HG2  ARG   3           2HG      ARG   3 -17.848   0.120  -1.058
   21    HG3  ARG   3           1HG      ARG   3 -16.565   1.321  -0.906
   22    HD2  ARG   3           2HD      ARG   3 -16.619  -0.830  -3.055
   23    HD3  ARG   3           1HD      ARG   3 -17.159   0.842  -3.302
   24    HE   ARG   3           HE       ARG   3 -14.652   1.176  -2.205
   25   HH11  ARG   3          1HH2      ARG   3 -14.121  -1.570  -3.443
   26   HH12  ARG   3          2HH2      ARG   3 -13.460  -1.122  -4.979
   27   HH21  ARG   3          1HH1      ARG   3 -14.578   2.178  -4.772
   28   HH22  ARG   3          2HH1      ARG   3 -13.722   1.024  -5.743
   29    H    GLU   4           H        GLU   4 -13.281   0.310  -0.025
   30    HA   GLU   4           HA       GLU   4 -11.865   2.144  -0.344
   31    HB2  GLU   4           2HB      GLU   4 -14.611   3.040  -0.792
   32    HB3  GLU   4           1HB      GLU   4 -13.549   4.358  -0.302
   33    HG2  GLU   4           2HG      GLU   4 -11.963   3.790  -2.069
   34    HG3  GLU   4           1HG      GLU   4 -12.944   2.403  -2.538
   35    H    MET   5           H        MET   5 -12.840   1.346   2.513
   36    HA   MET   5           HA       MET   5 -11.652   3.714   3.892
   37    HB2  MET   5           2HB      MET   5 -14.326   2.380   4.294
   38    HB3  MET   5           1HB      MET   5 -13.503   3.085   5.685
   39    HG2  MET   5           2HG      MET   5 -13.350   5.247   4.504
   40    HG3  MET   5           1HG      MET   5 -14.181   4.547   3.115
   41    HE1  MET   5           3HE      MET   5 -15.205   6.861   3.716
   42    HE2  MET   5           1HE      MET   5 -15.141   7.151   5.463
   43    HE3  MET   5           2HE      MET   5 -16.692   7.014   4.643
   44    H    ALA   6           H        ALA   6 -13.056   0.515   4.707
   45    HA   ALA   6           HA       ALA   6 -11.085  -0.167   6.691
   46    HB1  ALA   6           1HB      ALA   6 -13.415  -1.085   6.436
   47    HB2  ALA   6           2HB      ALA   6 -12.189  -2.341   6.599
   48    HB3  ALA   6           3HB      ALA   6 -12.865  -1.968   5.013
   49    H    ALA   7           H        ALA   7 -11.451  -1.045   3.237
   50    HA   ALA   7           HA       ALA   7  -8.923  -2.559   3.194
   51    HB1  ALA   7           1HB      ALA   7 -10.820  -1.710   0.982
   52    HB2  ALA   7           2HB      ALA   7 -10.948  -3.210   1.903
   53    HB3  ALA   7           3HB      ALA   7  -9.557  -2.935   0.854
   54    H    SER   8           H        SER   8  -9.997   0.721   2.470
   55    HA   SER   8           HA       SER   8  -7.811   1.452   0.707
   56    HB2  SER   8           2HB      SER   8 -10.009   2.611   0.849
   57    HB3  SER   8           1HB      SER   8  -9.618   3.129   2.483
   58    HG   SER   8           HG       SER   8  -9.074   4.760   1.030
   59    H    ALA   9           H        ALA   9  -8.451   2.047   4.193
   60    HA   ALA   9           HA       ALA   9  -5.727   3.099   4.609
   61    HB1  ALA   9           1HB      ALA   9  -7.808   4.000   5.693
   62    HB2  ALA   9           2HB      ALA   9  -6.559   3.544   6.849
   63    HB3  ALA   9           3HB      ALA   9  -7.946   2.485   6.586
   64    H    GLY  10           H        GLY  10  -7.642   0.301   5.839
   65    HA2  GLY  10           2HA      GLY  10  -5.126  -0.949   6.802
   66    HA3  GLY  10           1HA      GLY  10  -6.755  -1.485   7.200
   67    H    GLY  11           H        GLY  11  -5.090  -0.914   4.065
   68    HA2  GLY  11           2HA      GLY  11  -5.186  -3.769   3.418
   69    HA3  GLY  11           1HA      GLY  11  -6.309  -2.786   2.482
   70    H    ALA  12           H        ALA  12  -5.430  -1.169   1.034
   71    HA   ALA  12           HA       ALA  12  -3.077  -1.951  -0.394
   72    HB1  ALA  12           1HB      ALA  12  -3.581  -0.104  -1.769
   73    HB2  ALA  12           2HB      ALA  12  -4.249   0.827  -0.430
   74    HB3  ALA  12           3HB      ALA  12  -5.146  -0.544  -1.085
   75    H    VAL  13           H        VAL  13  -3.559   0.777   1.899
   76    HA   VAL  13           HA       VAL  13  -0.878   1.800   1.746
   77    HB   VAL  13           HB       VAL  13  -3.059   1.921   3.855
   78   HG11  VAL  13          1HG1      VAL  13  -1.113   2.371   5.123
   79   HG12  VAL  13          2HG1      VAL  13  -1.682   3.968   4.640
   80   HG13  VAL  13          3HG1      VAL  13  -0.331   3.219   3.788
   81   HG21  VAL  13          3HG2      VAL  13  -3.573   3.046   1.739
   82   HG22  VAL  13          1HG2      VAL  13  -2.029   3.896   1.790
   83   HG23  VAL  13          2HG2      VAL  13  -3.271   4.251   2.990
   84    H    PHE  14           H        PHE  14  -2.390  -0.632   3.891
   85    HA   PHE  14           HA       PHE  14  -0.166  -1.080   5.634
   86    HB2  PHE  14           2HB      PHE  14  -2.441  -1.859   6.090
   87    HB3  PHE  14           1HB      PHE  14  -2.402  -2.896   4.665
   88    HD1  PHE  14           1HD      PHE  14  -0.696  -2.289   7.940
   89    HD2  PHE  14           2HD      PHE  14  -1.553  -5.095   4.801
   90    HE1  PHE  14           1HE      PHE  14   0.322  -4.107   9.285
   91    HE2  PHE  14           2HE      PHE  14  -0.537  -6.910   6.146
   92    HZ   PHE  14           HZ       PHE  14   0.402  -6.417   8.388
   93    H    VAL  15           H        VAL  15  -1.160  -2.863   2.668
   94    HA   VAL  15           HA       VAL  15   1.099  -4.633   2.572
   95    HB   VAL  15           HB       VAL  15  -0.785  -3.530   0.456
   96   HG11  VAL  15          1HG1      VAL  15   1.301  -5.722   0.265
   97   HG12  VAL  15          2HG1      VAL  15   1.156  -4.286  -0.748
   98   HG13  VAL  15          3HG1      VAL  15  -0.045  -5.572  -0.865
   99   HG21  VAL  15          3HG2      VAL  15  -1.623  -5.000   2.400
  100   HG22  VAL  15          1HG2      VAL  15  -0.698  -6.306   1.658
  101   HG23  VAL  15          2HG2      VAL  15  -2.016  -5.543   0.770
  102    H    GLY  16           H        GLY  16   0.524  -1.428   1.085
  103    HA2  GLY  16           2HA      GLY  16   2.978  -1.235  -0.360
  104    HA3  GLY  16           1HA      GLY  16   1.994   0.135   0.158
  105    H    LEU  17           H        LEU  17   2.114  -0.319   2.979
  106    HA   LEU  17           HA       LEU  17   4.564   0.999   3.678
  107    HB2  LEU  17           2HB      LEU  17   2.113   0.261   4.897
  108    HB3  LEU  17           1HB      LEU  17   3.384  -0.434   5.898
  109    HG   LEU  17           HG       LEU  17   3.586   2.416   4.949
  110   HD11  LEU  17          1HD1      LEU  17   1.358   2.008   6.101
  111   HD12  LEU  17          2HD1      LEU  17   2.404   3.190   6.887
  112   HD13  LEU  17          3HD1      LEU  17   2.275   1.557   7.540
  113   HD21  LEU  17          3HD2      LEU  17   4.567   1.004   7.452
  114   HD22  LEU  17          1HD2      LEU  17   4.999   2.630   6.925
  115   HD23  LEU  17          2HD2      LEU  17   5.538   1.230   5.998
  116    H    VAL  18           H        VAL  18   3.568  -2.433   3.946
  117    HA   VAL  18           HA       VAL  18   5.894  -3.419   5.297
  118    HB   VAL  18           HB       VAL  18   3.902  -4.632   3.349
  119   HG11  VAL  18          1HG1      VAL  18   5.544  -6.223   3.089
  120   HG12  VAL  18          2HG1      VAL  18   4.859  -6.804   4.605
  121   HG13  VAL  18          3HG1      VAL  18   6.326  -5.826   4.618
  122   HG21  VAL  18          3HG2      VAL  18   2.898  -5.575   5.335
  123   HG22  VAL  18          1HG2      VAL  18   3.150  -3.857   5.643
  124   HG23  VAL  18          2HG2      VAL  18   4.251  -5.047   6.334
  125    H    LEU  19           H        LEU  19   5.168  -2.979   1.831
  126    HA   LEU  19           HA       LEU  19   7.686  -4.032   0.850
  127    HB2  LEU  19           2HB      LEU  19   5.318  -3.594  -0.258
  128    HB3  LEU  19           1HB      LEU  19   6.008  -2.011  -0.612
  129    HG   LEU  19           HG       LEU  19   7.624  -4.457  -1.247
  130   HD11  LEU  19          1HD1      LEU  19   5.418  -3.353  -3.014
  131   HD12  LEU  19          2HD1      LEU  19   5.357  -4.898  -2.165
  132   HD13  LEU  19          3HD1      LEU  19   6.549  -4.636  -3.439
  133   HD21  LEU  19          3HD2      LEU  19   8.006  -2.781  -3.289
  134   HD22  LEU  19          1HD2      LEU  19   8.847  -2.551  -1.756
  135   HD23  LEU  19          2HD2      LEU  19   7.410  -1.598  -2.125
  136    H    LEU  20           H        LEU  20   6.446  -0.753   1.564
  137    HA   LEU  20           HA       LEU  20   8.666   0.775   0.635
  138    HB2  LEU  20           2HB      LEU  20   6.315   1.488   1.380
  139    HB3  LEU  20           1HB      LEU  20   6.935   1.421   3.029
  140    HG   LEU  20           HG       LEU  20   8.806   2.976   2.251
  141   HD11  LEU  20          1HD1      LEU  20   8.054   4.386   0.230
  142   HD12  LEU  20          2HD1      LEU  20   6.985   3.039  -0.160
  143   HD13  LEU  20          3HD1      LEU  20   8.732   2.794  -0.113
  144   HD21  LEU  20          3HD2      LEU  20   5.932   3.950   2.141
  145   HD22  LEU  20          1HD2      LEU  20   7.341   4.983   2.377
  146   HD23  LEU  20          2HD2      LEU  20   6.917   3.781   3.595
  147    H    THR  21           H        THR  21   8.163  -0.927   3.728
  148    HA   THR  21           HA       THR  21  10.319   0.243   5.207
  149    HB   THR  21           HB       THR  21   8.895  -2.434   5.289
  150    HG1  THR  21           1HG      THR  21   7.563  -0.885   5.978
  151   HG21  THR  21          3HG2      THR  21   9.861  -2.623   7.612
  152   HG22  THR  21          1HG2      THR  21  10.965  -1.312   7.197
  153   HG23  THR  21          2HG2      THR  21  11.040  -2.841   6.319
  154    H    LEU  22           H        LEU  22  10.239  -2.536   2.953
  155    HA   LEU  22           HA       LEU  22  13.240  -2.628   3.070
  156    HB2  LEU  22           2HB      LEU  22  11.360  -4.583   3.677
  157    HB3  LEU  22           1HB      LEU  22  11.812  -4.981   2.025
  158    HG   LEU  22           HG       LEU  22  13.253  -6.168   3.606
  159   HD11  LEU  22          1HD1      LEU  22  14.176  -5.233   1.426
  160   HD12  LEU  22          2HD1      LEU  22  15.371  -5.611   2.666
  161   HD13  LEU  22          3HD1      LEU  22  14.889  -3.938   2.388
  162   HD21  LEU  22          3HD2      LEU  22  13.042  -4.494   5.459
  163   HD22  LEU  22          1HD2      LEU  22  14.136  -3.430   4.574
  164   HD23  LEU  22          2HD2      LEU  22  14.707  -4.991   5.161
  165    H    SER  23           H        SER  23  12.152  -0.736   1.374
  166    HA   SER  23           HA       SER  23  12.075  -1.987  -1.345
  167    HB2  SER  23           2HB      SER  23  10.292  -0.357  -0.287
  168    HB3  SER  23           1HB      SER  23  11.450   0.886  -0.740
  169    HG   SER  23           HG       SER  23   9.705  -0.420  -2.278
  170    HA   PRO  24           HA       PRO  24  16.197  -0.193  -1.675
  171    HB2  PRO  24           2HB      PRO  24  16.897  -1.481  -3.982
  172    HB3  PRO  24           1HB      PRO  24  16.935  -2.265  -2.391
  173    HG2  PRO  24           2HG      PRO  24  14.991  -2.559  -4.588
  174    HG3  PRO  24           1HG      PRO  24  15.496  -3.723  -3.355
  175    HD2  PRO  24           2HD      PRO  24  13.124  -2.258  -3.354
  176    HD3  PRO  24           1HD      PRO  24  13.814  -3.137  -1.973
  177    H    HIS  25           H        HIS  25  15.454   1.971  -2.151
  178    HA   HIS  25           HA       HIS  25  14.853   2.553  -5.034
  179    HB2  HIS  25           2HB      HIS  25  13.304   3.011  -2.898
  180    HB3  HIS  25           1HB      HIS  25  14.271   4.484  -2.833
  181    HD1  HIS  25           1HD      HIS  25  14.483   5.668  -5.385
  182    HD2  HIS  25           2HD      HIS  25  11.145   3.302  -4.580
  183    HE1  HIS  25           1HE      HIS  25  12.719   6.312  -7.087
  184    H    TYR  26           H        TYR  26  17.607   2.373  -3.639
  185    HA   TYR  26           HA       TYR  26  18.516   5.201  -3.889
  186    HB2  TYR  26           2HB      TYR  26  18.999   3.433  -1.964
  187    HB3  TYR  26           1HB      TYR  26  20.262   2.897  -3.072
  188    HD1  TYR  26           1HD      TYR  26  22.066   4.451  -3.775
  189    HD2  TYR  26           2HD      TYR  26  19.129   5.566  -0.844
  190    HE1  TYR  26           1HE      TYR  26  23.494   6.352  -3.065
  191    HE2  TYR  26           2HE      TYR  26  20.555   7.465  -0.136
  192    HH   TYR  26           HH       TYR  26  22.656   8.858  -1.675
  193    H    LYS  27           H        LYS  27  18.183   5.072  -6.270
  194    HA   LYS  27           HA       LYS  27  18.962   4.886  -8.459
  195    HB2  LYS  27           2HB      LYS  27  20.943   5.804  -7.006
  196    HB3  LYS  27           1HB      LYS  27  21.660   4.220  -7.293
  197    HG2  LYS  27           2HG      LYS  27  22.488   5.476  -9.089
  198    HG3  LYS  27           1HG      LYS  27  21.083   4.681  -9.800
  199    HD2  LYS  27           2HD      LYS  27  19.728   6.727  -9.229
  200    HD3  LYS  27           1HD      LYS  27  21.228   7.518  -8.743
  201    HE2  LYS  27           2HE      LYS  27  21.978   7.741 -10.910
  202    HE3  LYS  27           1HE      LYS  27  21.200   6.239 -11.445
  203    HZ1  LYS  27           3HZ      LYS  27  19.053   7.290 -11.294
  204    HZ2  LYS  27           1HZ      LYS  27  20.052   8.226 -12.293
  205    HZ3  LYS  27           2HZ      LYS  27  19.745   8.725 -10.698
  Start of MODEL   15
    1    H1   MET   1           1HT      MET   1   2.587  -9.183   2.558
    2    H2   MET   1           2HT      MET   1   1.941  -9.093   0.987
    3    H3   MET   1           3HT      MET   1   2.516 -10.572   1.591
    4    HA   MET   1           HA       MET   1   0.750 -10.648   3.235
    5    HB2  MET   1           2HB      MET   1   0.621  -7.844   2.348
    6    HB3  MET   1           1HB      MET   1  -0.963  -8.604   2.492
    7    HG2  MET   1           2HG      MET   1  -0.310  -9.386   4.790
    8    HG3  MET   1           1HG      MET   1   1.167  -8.433   4.641
    9    HE1  MET   1           2HE      MET   1   1.146  -5.925   5.768
   10    HE2  MET   1           3HE      MET   1   0.258  -4.878   4.667
   11    HE3  MET   1           1HE      MET   1   1.307  -6.156   4.031
   12    H    ASP   2           H        ASP   2  -0.798 -12.076   2.542
   13    HA   ASP   2           HA       ASP   2  -1.195 -12.557  -0.304
   14    HB2  ASP   2           2HB      ASP   2  -2.330 -13.689   2.264
   15    HB3  ASP   2           1HB      ASP   2  -2.823 -14.280   0.678
   16    H    ARG   3           H        ARG   3  -3.511 -12.771  -1.177
   17    HA   ARG   3           HA       ARG   3  -4.974 -10.255  -0.613
   18    HB2  ARG   3           2HB      ARG   3  -5.146 -12.390  -2.763
   19    HB3  ARG   3           1HB      ARG   3  -6.195 -10.973  -2.718
   20    HG2  ARG   3           2HG      ARG   3  -3.286 -10.431  -2.469
   21    HG3  ARG   3           1HG      ARG   3  -3.822 -11.031  -4.037
   22    HD2  ARG   3           2HD      ARG   3  -5.387  -8.817  -2.738
   23    HD3  ARG   3           1HD      ARG   3  -3.861  -8.432  -3.555
   24    HE   ARG   3           HE       ARG   3  -5.988 -10.004  -4.961
   25   HH11  ARG   3          1HH1      ARG   3  -6.336  -7.064  -5.189
   26   HH12  ARG   3          2HH1      ARG   3  -5.424  -6.679  -6.607
   27   HH21  ARG   3          1HH2      ARG   3  -3.664  -9.688  -6.600
   28   HH22  ARG   3          2HH2      ARG   3  -3.896  -8.179  -7.415
   29    H    GLU   4           H        GLU   4  -6.649 -13.201  -1.662
   30    HA   GLU   4           HA       GLU   4  -8.562 -14.258  -0.809
   31    HB2  GLU   4           2HB      GLU   4  -6.425 -14.760   0.686
   32    HB3  GLU   4           1HB      GLU   4  -7.373 -13.918   1.911
   33    HG2  GLU   4           2HG      GLU   4  -9.302 -15.524   1.034
   34    HG3  GLU   4           1HG      GLU   4  -7.933 -16.520   0.541
   35    H    MET   5           H        MET   5  -8.731 -11.277  -0.921
   36    HA   MET   5           HA       MET   5 -10.151  -9.546  -0.233
   37    HB2  MET   5           2HB      MET   5 -11.547 -11.936  -0.337
   38    HB3  MET   5           1HB      MET   5 -11.972 -11.306   1.252
   39    HG2  MET   5           2HG      MET   5 -12.011  -9.245  -0.836
   40    HG3  MET   5           1HG      MET   5 -13.153 -10.553  -1.137
   41    HE1  MET   5           3HE      MET   5 -15.326  -7.701   0.375
   42    HE2  MET   5           1HE      MET   5 -14.883  -8.640  -1.062
   43    HE3  MET   5           2HE      MET   5 -13.807  -7.383  -0.459
   44    H    ALA   6           H        ALA   6  -7.948 -10.420   1.629
   45    HA   ALA   6           HA       ALA   6  -9.093  -9.869   4.321
   46    HB1  ALA   6           1HB      ALA   6  -6.431 -10.815   3.237
   47    HB2  ALA   6           2HB      ALA   6  -7.578 -11.709   4.232
   48    HB3  ALA   6           3HB      ALA   6  -6.645 -10.388   4.934
   49    H    ALA   7           H        ALA   7  -6.317  -8.683   2.354
   50    HA   ALA   7           HA       ALA   7  -6.488  -6.063   3.788
   51    HB1  ALA   7           1HB      ALA   7  -4.191  -5.790   2.846
   52    HB2  ALA   7           2HB      ALA   7  -4.350  -7.364   2.068
   53    HB3  ALA   7           3HB      ALA   7  -4.344  -7.246   3.828
   54    H    SER   8           H        SER   8  -8.301  -5.280   2.572
   55    HA   SER   8           HA       SER   8  -7.713  -4.588  -0.294
   56    HB2  SER   8           2HB      SER   8 -10.360  -5.169   1.075
   57    HB3  SER   8           1HB      SER   8 -10.155  -4.767  -0.625
   58    HG   SER   8           HG       SER   8 -10.157  -7.132   0.336
   59    H    ALA   9           H        ALA   9  -7.524  -2.418  -0.592
   60    HA   ALA   9           HA       ALA   9  -7.756  -0.111  -0.370
   61    HB1  ALA   9           1HB      ALA   9 -10.198  -0.772   1.310
   62    HB2  ALA   9           2HB      ALA   9 -10.190  -0.798  -0.452
   63    HB3  ALA   9           3HB      ALA   9  -9.888   0.710   0.407
   64    H    GLY  10           H        GLY  10  -8.992  -1.134   2.858
   65    HA2  GLY  10           2HA      GLY  10  -7.278   0.753   4.236
   66    HA3  GLY  10           1HA      GLY  10  -8.234  -0.525   5.003
   67    H    GLY  11           H        GLY  11  -7.288  -2.808   3.913
   68    HA2  GLY  11           2HA      GLY  11  -4.779  -3.231   5.253
   69    HA3  GLY  11           1HA      GLY  11  -5.579  -4.390   4.190
   70    H    ALA  12           H        ALA  12  -5.677  -2.619   1.868
   71    HA   ALA  12           HA       ALA  12  -3.231  -3.237   0.566
   72    HB1  ALA  12           1HB      ALA  12  -4.083  -1.694  -1.159
   73    HB2  ALA  12           2HB      ALA  12  -5.229  -1.023   0.001
   74    HB3  ALA  12           3HB      ALA  12  -5.387  -2.699  -0.527
   75    H    VAL  13           H        VAL  13  -4.226  -0.273   2.300
   76    HA   VAL  13           HA       VAL  13  -2.021   1.407   1.604
   77    HB   VAL  13           HB       VAL  13  -3.736   1.223   4.111
   78   HG11  VAL  13          1HG1      VAL  13  -1.965   3.492   3.144
   79   HG12  VAL  13          2HG1      VAL  13  -1.672   2.495   4.569
   80   HG13  VAL  13          3HG1      VAL  13  -3.070   3.568   4.516
   81   HG21  VAL  13          3HG2      VAL  13  -4.484   1.857   1.537
   82   HG22  VAL  13          1HG2      VAL  13  -4.094   3.443   2.201
   83   HG23  VAL  13          2HG2      VAL  13  -5.304   2.430   2.988
   84    H    PHE  14           H        PHE  14  -2.406  -1.053   4.164
   85    HA   PHE  14           HA       PHE  14   0.197  -0.552   5.372
   86    HB2  PHE  14           2HB      PHE  14  -2.044  -1.709   6.249
   87    HB3  PHE  14           1HB      PHE  14  -1.241  -3.163   5.649
   88    HD1  PHE  14           1HD      PHE  14  -1.055  -0.386   8.077
   89    HD2  PHE  14           2HD      PHE  14   0.823  -3.979   6.655
   90    HE1  PHE  14           1HE      PHE  14   0.391  -0.428  10.087
   91    HE2  PHE  14           2HE      PHE  14   2.267  -4.020   8.667
   92    HZ   PHE  14           HZ       PHE  14   2.053  -2.243  10.385
   93    H    VAL  15           H        VAL  15  -1.022  -2.721   2.819
   94    HA   VAL  15           HA       VAL  15   1.216  -4.505   2.660
   95    HB   VAL  15           HB       VAL  15  -0.750  -3.468   0.583
   96   HG11  VAL  15          1HG1      VAL  15   0.818  -4.355  -0.853
   97   HG12  VAL  15          2HG1      VAL  15  -0.018  -5.846  -0.421
   98   HG13  VAL  15          3HG1      VAL  15   1.499  -5.423   0.373
   99   HG21  VAL  15          3HG2      VAL  15  -1.423  -4.891   2.697
  100   HG22  VAL  15          1HG2      VAL  15  -0.714  -6.224   1.787
  101   HG23  VAL  15          2HG2      VAL  15  -2.072  -5.323   1.117
  102    H    GLY  16           H        GLY  16   0.578  -1.369   1.046
  103    HA2  GLY  16           2HA      GLY  16   3.032  -1.278  -0.451
  104    HA3  GLY  16           1HA      GLY  16   2.017   0.116  -0.066
  105    H    LEU  17           H        LEU  17   2.097  -0.144   2.789
  106    HA   LEU  17           HA       LEU  17   4.454   1.323   3.477
  107    HB2  LEU  17           2HB      LEU  17   2.287   1.315   4.701
  108    HB3  LEU  17           1HB      LEU  17   2.575  -0.354   5.185
  109    HG   LEU  17           HG       LEU  17   4.903   1.119   5.896
  110   HD11  LEU  17          1HD1      LEU  17   2.454   2.381   7.129
  111   HD12  LEU  17          2HD1      LEU  17   3.215   3.073   5.696
  112   HD13  LEU  17          3HD1      LEU  17   4.128   2.931   7.197
  113   HD21  LEU  17          3HD2      LEU  17   2.623   0.111   7.632
  114   HD22  LEU  17          1HD2      LEU  17   4.285   0.397   8.149
  115   HD23  LEU  17          2HD2      LEU  17   3.928  -0.898   7.007
  116    H    VAL  18           H        VAL  18   3.634  -2.148   3.930
  117    HA   VAL  18           HA       VAL  18   6.110  -2.912   5.194
  118    HB   VAL  18           HB       VAL  18   4.016  -4.400   3.567
  119   HG11  VAL  18          1HG1      VAL  18   6.579  -5.350   4.771
  120   HG12  VAL  18          2HG1      VAL  18   5.712  -5.945   3.355
  121   HG13  VAL  18          3HG1      VAL  18   5.160  -6.378   4.972
  122   HG21  VAL  18          3HG2      VAL  18   3.282  -5.196   5.766
  123   HG22  VAL  18          1HG2      VAL  18   3.326  -3.434   5.762
  124   HG23  VAL  18          2HG2      VAL  18   4.617  -4.346   6.545
  125    H    LEU  19           H        LEU  19   5.071  -2.737   1.789
  126    HA   LEU  19           HA       LEU  19   7.354  -3.943   0.560
  127    HB2  LEU  19           2HB      LEU  19   5.066  -3.294  -0.399
  128    HB3  LEU  19           1HB      LEU  19   5.700  -1.653  -0.526
  129    HG   LEU  19           HG       LEU  19   7.675  -2.703  -1.807
  130   HD11  LEU  19          1HD1      LEU  19   7.316  -5.032  -1.267
  131   HD12  LEU  19          2HD1      LEU  19   7.013  -4.833  -2.992
  132   HD13  LEU  19          3HD1      LEU  19   5.660  -4.968  -1.870
  133   HD21  LEU  19          3HD2      LEU  19   6.214  -2.880  -3.919
  134   HD22  LEU  19          1HD2      LEU  19   6.123  -1.364  -3.022
  135   HD23  LEU  19          2HD2      LEU  19   4.840  -2.565  -2.859
  136    H    LEU  20           H        LEU  20   6.829  -0.746   1.930
  137    HA   LEU  20           HA       LEU  20   9.192   0.493   0.718
  138    HB2  LEU  20           2HB      LEU  20   6.880   1.470   1.507
  139    HB3  LEU  20           1HB      LEU  20   7.650   1.525   3.090
  140    HG   LEU  20           HG       LEU  20   9.618   2.620   1.567
  141   HD11  LEU  20          1HD1      LEU  20   8.347   2.583  -0.498
  142   HD12  LEU  20          2HD1      LEU  20   8.457   4.258   0.044
  143   HD13  LEU  20          3HD1      LEU  20   6.966   3.350   0.289
  144   HD21  LEU  20          3HD2      LEU  20   8.871   4.773   2.441
  145   HD22  LEU  20          1HD2      LEU  20   8.560   3.531   3.653
  146   HD23  LEU  20          2HD2      LEU  20   7.237   4.152   2.666
  147    H    THR  21           H        THR  21   8.294  -0.879   3.905
  148    HA   THR  21           HA       THR  21  10.785  -0.146   5.204
  149    HB   THR  21           HB       THR  21   8.369  -0.775   6.100
  150    HG1  THR  21           1HG      THR  21  10.811  -1.451   7.390
  151   HG21  THR  21          3HG2      THR  21   8.092  -2.991   6.879
  152   HG22  THR  21          1HG2      THR  21   9.782  -3.401   6.578
  153   HG23  THR  21          2HG2      THR  21   8.673  -3.182   5.225
  154    H    LEU  22           H        LEU  22   9.994  -2.719   3.018
  155    HA   LEU  22           HA       LEU  22  11.672  -4.825   3.912
  156    HB2  LEU  22           2HB      LEU  22  10.581  -3.863   1.289
  157    HB3  LEU  22           1HB      LEU  22  11.761  -5.173   1.286
  158    HG   LEU  22           HG       LEU  22   9.374  -5.277   3.121
  159   HD11  LEU  22          1HD1      LEU  22   8.862  -4.908   0.555
  160   HD12  LEU  22          2HD1      LEU  22   7.979  -6.129   1.470
  161   HD13  LEU  22          3HD1      LEU  22   9.324  -6.604   0.432
  162   HD21  LEU  22          3HD2      LEU  22  11.177  -7.335   1.800
  163   HD22  LEU  22          1HD2      LEU  22   9.771  -7.736   2.785
  164   HD23  LEU  22          2HD2      LEU  22  11.146  -6.906   3.510
  165    H    SER  23           H        SER  23  12.459  -2.279   1.503
  166    HA   SER  23           HA       SER  23  14.480  -1.313   0.849
  167    HB2  SER  23           2HB      SER  23  15.532  -2.379   3.486
  168    HB3  SER  23           1HB      SER  23  16.136  -1.005   2.574
  169    HG   SER  23           HG       SER  23  13.992  -0.070   2.925
  170    HA   PRO  24           HA       PRO  24  16.028  -5.357  -0.670
  171    HB2  PRO  24           2HB      PRO  24  16.424  -4.529  -3.241
  172    HB3  PRO  24           1HB      PRO  24  14.854  -5.098  -2.633
  173    HG2  PRO  24           2HG      PRO  24  15.820  -2.313  -3.039
  174    HG3  PRO  24           1HG      PRO  24  14.225  -3.014  -3.360
  175    HD2  PRO  24           2HD      PRO  24  14.750  -1.502  -1.177
  176    HD3  PRO  24           1HD      PRO  24  13.539  -2.803  -1.187
  177    H    HIS  25           H        HIS  25  17.337  -2.118  -0.992
  178    HA   HIS  25           HA       HIS  25  20.114  -3.241  -0.885
  179    HB2  HIS  25           2HB      HIS  25  18.931  -1.022  -2.575
  180    HB3  HIS  25           1HB      HIS  25  20.669  -1.165  -2.308
  181    HD1  HIS  25           1HD      HIS  25  17.797  -2.799  -4.067
  182    HD2  HIS  25           2HD      HIS  25  21.882  -3.446  -3.553
  183    HE1  HIS  25           1HE      HIS  25  18.455  -4.577  -5.743
  184    H    TYR  26           H        TYR  26  18.538  -0.008  -0.657
  185    HA   TYR  26           HA       TYR  26  19.335   0.278   2.165
  186    HB2  TYR  26           2HB      TYR  26  21.276   0.811   0.413
  187    HB3  TYR  26           1HB      TYR  26  20.420   2.346   0.287
  188    HD1  TYR  26           2HD      TYR  26  20.133   3.799   2.284
  189    HD2  TYR  26           1HD      TYR  26  22.459   0.189   2.422
  190    HE1  TYR  26           2HE      TYR  26  21.164   4.544   4.413
  191    HE2  TYR  26           1HE      TYR  26  23.489   0.936   4.550
  192    HH   TYR  26           HH       TYR  26  23.773   3.681   5.593
  193    H    LYS  27           H        LYS  27  18.073   1.850   3.184
  194    HA   LYS  27           HA       LYS  27  16.548   3.819   1.580
  195    HB2  LYS  27           2HB      LYS  27  15.330   1.570   1.669
  196    HB3  LYS  27           1HB      LYS  27  15.147   1.842   3.401
  197    HG2  LYS  27           2HG      LYS  27  13.161   2.744   2.579
  198    HG3  LYS  27           1HG      LYS  27  14.192   4.171   2.666
  199    HD2  LYS  27           2HD      LYS  27  14.028   4.488   0.445
  200    HD3  LYS  27           1HD      LYS  27  14.602   2.851   0.133
  201    HE2  LYS  27           2HE      LYS  27  12.465   2.743  -0.810
  202    HE3  LYS  27           1HE      LYS  27  12.108   2.207   0.843
  203    HZ1  LYS  27           3HZ      LYS  27  11.525   4.416   1.471
  204    HZ2  LYS  27           1HZ      LYS  27  10.651   4.040   0.069
  205    HZ3  LYS  27           2HZ      LYS  27  12.017   5.051  -0.031
  Start of MODEL   16
    1    H1   MET   1           1HT      MET   1 -15.244  -6.148  16.984
    2    H2   MET   1           2HT      MET   1 -15.759  -4.635  17.562
    3    H3   MET   1           3HT      MET   1 -14.255  -4.787  16.786
    4    HA   MET   1           HA       MET   1 -15.463  -5.470  14.717
    5    HB2  MET   1           2HB      MET   1 -17.703  -4.850  16.640
    6    HB3  MET   1           1HB      MET   1 -17.952  -4.657  14.906
    7    HG2  MET   1           2HG      MET   1 -16.682  -7.207  15.748
    8    HG3  MET   1           1HG      MET   1 -18.371  -6.997  16.209
    9    HE1  MET   1           2HE      MET   1 -18.138  -9.313  12.992
   10    HE2  MET   1           3HE      MET   1 -18.148  -9.276  14.752
   11    HE3  MET   1           1HE      MET   1 -16.647  -8.964  13.862
   12    H    ASP   2           H        ASP   2 -14.375  -3.808  13.704
   13    HA   ASP   2           HA       ASP   2 -15.165  -0.985  14.368
   14    HB2  ASP   2           2HB      ASP   2 -12.524  -2.163  13.443
   15    HB3  ASP   2           1HB      ASP   2 -12.824  -0.444  13.690
   16    H    ARG   3           H        ARG   3 -15.339   0.468  12.553
   17    HA   ARG   3           HA       ARG   3 -15.030  -0.569   9.808
   18    HB2  ARG   3           2HB      ARG   3 -17.417  -0.960  11.217
   19    HB3  ARG   3           1HB      ARG   3 -17.743   0.447  10.206
   20    HG2  ARG   3           2HG      ARG   3 -17.581  -0.738   8.255
   21    HG3  ARG   3           1HG      ARG   3 -16.322  -1.803   8.882
   22    HD2  ARG   3           2HD      ARG   3 -18.780  -2.249  10.349
   23    HD3  ARG   3           1HD      ARG   3 -19.069  -2.419   8.606
   24    HE   ARG   3           HE       ARG   3 -17.052  -3.965   8.579
   25   HH11  ARG   3          1HH1      ARG   3 -19.233  -5.503   9.777
   26   HH12  ARG   3          2HH1      ARG   3 -18.581  -6.020  11.294
   27   HH21  ARG   3          1HH2      ARG   3 -15.996  -3.668  11.265
   28   HH22  ARG   3          2HH2      ARG   3 -16.725  -4.971  12.148
   29    H    GLU   4           H        GLU   4 -16.238   1.281   8.336
   30    HA   GLU   4           HA       GLU   4 -16.135   3.475   7.534
   31    HB2  GLU   4           2HB      GLU   4 -16.292   4.102  10.499
   32    HB3  GLU   4           1HB      GLU   4 -16.662   5.216   9.187
   33    HG2  GLU   4           2HG      GLU   4 -18.115   2.594   9.671
   34    HG3  GLU   4           1HG      GLU   4 -18.705   4.174  10.180
   35    H    MET   5           H        MET   5 -13.574   2.043   8.448
   36    HA   MET   5           HA       MET   5 -11.711   4.137   7.815
   37    HB2  MET   5           2HB      MET   5 -10.519   4.073  10.072
   38    HB3  MET   5           1HB      MET   5 -12.044   4.942  10.035
   39    HG2  MET   5           2HG      MET   5 -12.739   3.670  11.754
   40    HG3  MET   5           1HG      MET   5 -12.702   2.269  10.692
   41    HE1  MET   5           3HE      MET   5 -10.917   1.871  14.372
   42    HE2  MET   5           1HE      MET   5 -12.505   2.117  13.622
   43    HE3  MET   5           2HE      MET   5 -11.495   3.500  14.033
   44    H    ALA   6           H        ALA   6 -12.040   0.987   9.503
   45    HA   ALA   6           HA       ALA   6  -9.468   0.044   8.375
   46    HB1  ALA   6           1HB      ALA   6 -10.261  -0.300  10.770
   47    HB2  ALA   6           2HB      ALA   6  -9.774  -1.770   9.930
   48    HB3  ALA   6           3HB      ALA   6 -11.485  -1.395  10.127
   49    H    ALA   7           H        ALA   7 -11.434   0.586   6.400
   50    HA   ALA   7           HA       ALA   7 -12.268  -2.151   5.491
   51    HB1  ALA   7           1HB      ALA   7 -14.237  -0.883   5.861
   52    HB2  ALA   7           2HB      ALA   7 -13.943  -0.671   4.135
   53    HB3  ALA   7           3HB      ALA   7 -13.496   0.604   5.269
   54    H    SER   8           H        SER   8 -11.366   1.108   4.295
   55    HA   SER   8           HA       SER   8 -10.039  -0.158   1.926
   56    HB2  SER   8           2HB      SER   8 -11.943   1.541   1.679
   57    HB3  SER   8           1HB      SER   8 -10.844   2.737   2.355
   58    HG   SER   8           HG       SER   8 -10.554   2.841   0.179
   59    H    ALA   9           H        ALA   9  -9.658   2.480   4.331
   60    HA   ALA   9           HA       ALA   9  -6.918   3.090   3.759
   61    HB1  ALA   9           1HB      ALA   9  -7.048   4.202   5.987
   62    HB2  ALA   9           2HB      ALA   9  -8.592   3.397   6.266
   63    HB3  ALA   9           3HB      ALA   9  -8.436   4.575   4.965
   64    H    GLY  10           H        GLY  10  -8.386   0.700   5.991
   65    HA2  GLY  10           2HA      GLY  10  -5.710  -0.042   7.015
   66    HA3  GLY  10           1HA      GLY  10  -7.250  -0.680   7.588
   67    H    GLY  11           H        GLY  11  -5.206  -0.724   4.615
   68    HA2  GLY  11           2HA      GLY  11  -5.202  -3.595   4.490
   69    HA3  GLY  11           1HA      GLY  11  -6.414  -2.959   3.382
   70    H    ALA  12           H        ALA  12  -5.705  -1.634   1.610
   71    HA   ALA  12           HA       ALA  12  -3.358  -2.474   0.251
   72    HB1  ALA  12           1HB      ALA  12  -3.952  -0.767  -1.336
   73    HB2  ALA  12           2HB      ALA  12  -4.812   0.159  -0.106
   74    HB3  ALA  12           3HB      ALA  12  -5.461  -1.385  -0.662
   75    H    VAL  13           H        VAL  13  -3.890   0.437   2.256
   76    HA   VAL  13           HA       VAL  13  -1.410   1.767   1.776
   77    HB   VAL  13           HB       VAL  13  -3.065   1.647   4.328
   78   HG11  VAL  13          1HG1      VAL  13  -0.946   2.738   4.726
   79   HG12  VAL  13          2HG1      VAL  13  -2.182   3.990   4.606
   80   HG13  VAL  13          3HG1      VAL  13  -1.099   3.688   3.247
   81   HG21  VAL  13          3HG2      VAL  13  -4.674   2.418   2.868
   82   HG22  VAL  13          1HG2      VAL  13  -3.486   2.986   1.694
   83   HG23  VAL  13          2HG2      VAL  13  -3.833   3.945   3.132
   84    H    PHE  14           H        PHE  14  -2.307  -0.710   4.182
   85    HA   PHE  14           HA       PHE  14   0.212  -0.840   5.556
   86    HB2  PHE  14           2HB      PHE  14  -2.242  -1.795   6.012
   87    HB3  PHE  14           1HB      PHE  14  -1.559  -3.236   5.259
   88    HD1  PHE  14           1HD      PHE  14   0.621  -4.189   6.195
   89    HD2  PHE  14           2HD      PHE  14  -1.707  -1.218   8.249
   90    HE1  PHE  14           1HE      PHE  14   1.779  -4.747   8.312
   91    HE2  PHE  14           2HE      PHE  14  -0.548  -1.778  10.368
   92    HZ   PHE  14           HZ       PHE  14   1.195  -3.542  10.399
   93    H    VAL  15           H        VAL  15  -1.093  -2.661   2.754
   94    HA   VAL  15           HA       VAL  15   1.052  -4.534   2.460
   95    HB   VAL  15           HB       VAL  15  -0.861  -3.257   0.469
   96   HG11  VAL  15          1HG1      VAL  15   1.058  -5.579   0.156
   97   HG12  VAL  15          2HG1      VAL  15   0.940  -4.131  -0.846
   98   HG13  VAL  15          3HG1      VAL  15  -0.338  -5.344  -0.897
   99   HG21  VAL  15          3HG2      VAL  15  -2.054  -5.424   0.709
  100   HG22  VAL  15          1HG2      VAL  15  -1.941  -4.572   2.249
  101   HG23  VAL  15          2HG2      VAL  15  -0.869  -5.930   1.913
  102    H    GLY  16           H        GLY  16   0.602  -1.238   1.133
  103    HA2  GLY  16           2HA      GLY  16   3.011  -1.178  -0.431
  104    HA3  GLY  16           1HA      GLY  16   2.120   0.240   0.128
  105    H    LEU  17           H        LEU  17   2.269  -0.243   2.927
  106    HA   LEU  17           HA       LEU  17   4.800   0.915   3.599
  107    HB2  LEU  17           2HB      LEU  17   2.434  -0.237   5.015
  108    HB3  LEU  17           1HB      LEU  17   3.912  -0.044   5.956
  109    HG   LEU  17           HG       LEU  17   2.828   2.207   4.263
  110   HD11  LEU  17          1HD1      LEU  17   1.624   3.057   6.166
  111   HD12  LEU  17          2HD1      LEU  17   2.255   1.782   7.207
  112   HD13  LEU  17          3HD1      LEU  17   1.104   1.389   5.931
  113   HD21  LEU  17          3HD2      LEU  17   4.182   3.571   5.766
  114   HD22  LEU  17          1HD2      LEU  17   5.187   2.272   5.126
  115   HD23  LEU  17          2HD2      LEU  17   4.549   2.166   6.765
  116    H    VAL  18           H        VAL  18   3.586  -2.453   3.974
  117    HA   VAL  18           HA       VAL  18   5.838  -3.622   5.219
  118    HB   VAL  18           HB       VAL  18   3.822  -4.635   3.191
  119   HG11  VAL  18          1HG1      VAL  18   4.511  -6.919   3.757
  120   HG12  VAL  18          2HG1      VAL  18   5.786  -6.298   4.805
  121   HG13  VAL  18          3HG1      VAL  18   5.873  -6.042   3.061
  122   HG21  VAL  18          3HG2      VAL  18   3.019  -3.963   5.454
  123   HG22  VAL  18          1HG2      VAL  18   4.144  -5.117   6.171
  124   HG23  VAL  18          2HG2      VAL  18   2.817  -5.690   5.160
  125    H    LEU  19           H        LEU  19   5.280  -2.958   1.755
  126    HA   LEU  19           HA       LEU  19   7.826  -4.113   0.887
  127    HB2  LEU  19           2HB      LEU  19   5.382  -3.091  -0.244
  128    HB3  LEU  19           1HB      LEU  19   6.745  -2.287  -1.019
  129    HG   LEU  19           HG       LEU  19   7.779  -4.595  -1.322
  130   HD11  LEU  19          1HD1      LEU  19   4.945  -5.500  -0.731
  131   HD12  LEU  19          2HD1      LEU  19   6.292  -5.691   0.391
  132   HD13  LEU  19          3HD1      LEU  19   6.316  -6.521  -1.165
  133   HD21  LEU  19          3HD2      LEU  19   6.733  -3.415  -3.189
  134   HD22  LEU  19          1HD2      LEU  19   5.134  -3.943  -2.664
  135   HD23  LEU  19          2HD2      LEU  19   6.297  -5.122  -3.270
  136    H    LEU  20           H        LEU  20   6.557  -0.774   1.297
  137    HA   LEU  20           HA       LEU  20   8.902   0.644   0.505
  138    HB2  LEU  20           2HB      LEU  20   6.342   1.173   1.702
  139    HB3  LEU  20           1HB      LEU  20   7.572   2.035   2.620
  140    HG   LEU  20           HG       LEU  20   8.326   2.432  -0.039
  141   HD11  LEU  20          1HD1      LEU  20   6.171   3.423  -0.974
  142   HD12  LEU  20          2HD1      LEU  20   5.318   2.523   0.281
  143   HD13  LEU  20          3HD1      LEU  20   6.250   1.662  -0.944
  144   HD21  LEU  20          3HD2      LEU  20   7.580   4.762   0.398
  145   HD22  LEU  20          1HD2      LEU  20   8.442   4.085   1.779
  146   HD23  LEU  20          2HD2      LEU  20   6.681   4.198   1.807
  147    H    THR  21           H        THR  21   7.881  -0.504   3.746
  148    HA   THR  21           HA       THR  21  10.195   0.481   5.166
  149    HB   THR  21           HB       THR  21   8.418  -1.893   5.833
  150    HG1  THR  21           1HG      THR  21   7.994   0.895   6.117
  151   HG21  THR  21          3HG2      THR  21  10.482  -1.457   7.231
  152   HG22  THR  21          1HG2      THR  21   8.958  -1.415   8.118
  153   HG23  THR  21          2HG2      THR  21   9.762   0.091   7.676
  154    H    LEU  22           H        LEU  22   9.474  -2.542   3.439
  155    HA   LEU  22           HA       LEU  22  11.641  -4.171   4.294
  156    HB2  LEU  22           2HB      LEU  22   9.546  -4.243   2.420
  157    HB3  LEU  22           1HB      LEU  22  11.007  -4.445   1.463
  158    HG   LEU  22           HG       LEU  22  10.787  -6.019   3.993
  159   HD11  LEU  22          1HD1      LEU  22   9.540  -7.797   2.793
  160   HD12  LEU  22          2HD1      LEU  22   9.321  -6.705   1.424
  161   HD13  LEU  22          3HD1      LEU  22   8.575  -6.334   2.978
  162   HD21  LEU  22          3HD2      LEU  22  12.044  -7.637   2.655
  163   HD22  LEU  22          1HD2      LEU  22  12.802  -6.052   2.511
  164   HD23  LEU  22          2HD2      LEU  22  11.795  -6.670   1.201
  165    H    SER  23           H        SER  23  11.484  -1.679   1.745
  166    HA   SER  23           HA       SER  23  14.288  -2.133   0.938
  167    HB2  SER  23           2HB      SER  23  11.916  -1.117  -0.216
  168    HB3  SER  23           1HB      SER  23  13.017   0.251  -0.115
  169    HG   SER  23           HG       SER  23  14.347  -0.723  -1.479
  170    HA   PRO  24           HA       PRO  24  15.479   0.847   4.118
  171    HB2  PRO  24           2HB      PRO  24  18.175   0.581   3.777
  172    HB3  PRO  24           1HB      PRO  24  17.195  -0.584   4.690
  173    HG2  PRO  24           2HG      PRO  24  18.237  -0.763   1.914
  174    HG3  PRO  24           1HG      PRO  24  18.087  -2.022   3.150
  175    HD2  PRO  24           2HD      PRO  24  16.351  -1.749   1.074
  176    HD3  PRO  24           1HD      PRO  24  15.908  -2.455   2.644
  177    H    HIS  25           H        HIS  25  15.792   3.035   3.894
  178    HA   HIS  25           HA       HIS  25  16.496   4.106   1.195
  179    HB2  HIS  25           2HB      HIS  25  14.982   5.059   3.612
  180    HB3  HIS  25           1HB      HIS  25  15.625   6.247   2.480
  181    HD1  HIS  25           1HD      HIS  25  14.706   6.173   0.016
  182    HD2  HIS  25           2HD      HIS  25  12.792   3.560   2.641
  183    HE1  HIS  25           1HE      HIS  25  12.592   5.404  -1.149
  184    H    TYR  26           H        TYR  26  17.189   4.871   4.636
  185    HA   TYR  26           HA       TYR  26  19.989   5.588   3.855
  186    HB2  TYR  26           2HB      TYR  26  17.953   7.159   5.462
  187    HB3  TYR  26           1HB      TYR  26  19.680   7.492   5.563
  188    HD1  TYR  26           1HD      TYR  26  20.933   7.838   3.285
  189    HD2  TYR  26           2HD      TYR  26  16.678   8.179   3.773
  190    HE1  TYR  26           1HE      TYR  26  20.800   9.178   1.205
  191    HE2  TYR  26           2HE      TYR  26  16.548   9.520   1.693
  192    HH   TYR  26           HH       TYR  26  18.948  11.053   0.342
  193    H    LYS  27           H        LYS  27  20.958   3.830   4.817
  194    HA   LYS  27           HA       LYS  27  21.905   2.538   6.503
  195    HB2  LYS  27           2HB      LYS  27  21.976   4.813   7.640
  196    HB3  LYS  27           1HB      LYS  27  20.474   4.368   8.451
  197    HG2  LYS  27           2HG      LYS  27  21.508   2.489   9.530
  198    HG3  LYS  27           1HG      LYS  27  22.970   2.658   8.560
  199    HD2  LYS  27           2HD      LYS  27  22.129   5.025  10.166
  200    HD3  LYS  27           1HD      LYS  27  22.795   3.649  11.047
  201    HE2  LYS  27           2HE      LYS  27  24.866   3.753   9.881
  202    HE3  LYS  27           1HE      LYS  27  24.197   4.813   8.625
  203    HZ1  LYS  27           3HZ      LYS  27  24.458   5.518  11.506
  204    HZ2  LYS  27           1HZ      LYS  27  23.817   6.518  10.295
  205    HZ3  LYS  27           2HZ      LYS  27  25.461   6.087  10.258
  Start of MODEL   17
    1    H1   MET   1           1HT      MET   1  -6.862   3.528  20.472
    2    H2   MET   1           2HT      MET   1  -5.440   3.010  21.242
    3    H3   MET   1           3HT      MET   1  -6.953   2.433  21.762
    4    HA   MET   1           HA       MET   1  -5.588   1.834  19.182
    5    HB2  MET   1           2HB      MET   1  -5.381   0.740  21.731
    6    HB3  MET   1           1HB      MET   1  -6.544  -0.319  20.935
    7    HG2  MET   1           2HG      MET   1  -4.992  -0.679  19.077
    8    HG3  MET   1           1HG      MET   1  -3.836   0.440  19.801
    9    HE1  MET   1           2HE      MET   1  -2.577  -1.480  19.027
   10    HE2  MET   1           3HE      MET   1  -3.080  -3.137  19.345
   11    HE3  MET   1           1HE      MET   1  -1.776  -2.403  20.294
   12    H    ASP   2           H        ASP   2  -7.042   1.684  17.529
   13    HA   ASP   2           HA       ASP   2  -9.612   0.301  17.918
   14    HB2  ASP   2           2HB      ASP   2 -10.725   2.427  16.796
   15    HB3  ASP   2           1HB      ASP   2 -10.493   2.352  18.536
   16    H    ARG   3           H        ARG   3  -8.105   2.531  15.521
   17    HA   ARG   3           HA       ARG   3  -7.710   2.316  13.236
   18    HB2  ARG   3           2HB      ARG   3  -6.352   0.434  14.365
   19    HB3  ARG   3           1HB      ARG   3  -7.599  -0.657  13.755
   20    HG2  ARG   3           2HG      ARG   3  -7.199   0.249  11.455
   21    HG3  ARG   3           1HG      ARG   3  -5.862   1.200  12.102
   22    HD2  ARG   3           2HD      ARG   3  -4.476  -0.611  12.234
   23    HD3  ARG   3           1HD      ARG   3  -5.775  -1.683  12.796
   24    HE   ARG   3           HE       ARG   3  -5.877  -0.791   9.962
   25   HH11  ARG   3          1HH2      ARG   3  -7.605  -2.999  10.807
   26   HH12  ARG   3          2HH2      ARG   3  -6.708  -4.413  10.363
   27   HH21  ARG   3          1HH1      ARG   3  -3.689  -2.699  10.041
   28   HH22  ARG   3          2HH1      ARG   3  -4.464  -4.240   9.924
   29    H    GLU   4           H        GLU   4 -10.175   2.901  13.190
   30    HA   GLU   4           HA       GLU   4 -11.887   0.689  12.175
   31    HB2  GLU   4           2HB      GLU   4 -12.293   3.550  13.054
   32    HB3  GLU   4           1HB      GLU   4 -13.560   2.687  12.181
   33    HG2  GLU   4           2HG      GLU   4 -13.258   0.821  13.930
   34    HG3  GLU   4           1HG      GLU   4 -12.358   2.013  14.868
   35    H    MET   5           H        MET   5 -11.132   4.044  11.114
   36    HA   MET   5           HA       MET   5 -10.826   3.086   8.311
   37    HB2  MET   5           2HB      MET   5 -13.106   4.459   9.467
   38    HB3  MET   5           1HB      MET   5 -12.399   5.418   8.169
   39    HG2  MET   5           2HG      MET   5 -13.042   3.947   6.565
   40    HG3  MET   5           1HG      MET   5 -12.616   2.546   7.547
   41    HE1  MET   5           3HE      MET   5 -13.952   1.092   8.430
   42    HE2  MET   5           1HE      MET   5 -14.888   1.081   6.925
   43    HE3  MET   5           2HE      MET   5 -15.711   1.068   8.481
   44    H    ALA   6           H        ALA   6  -8.607   3.696   9.325
   45    HA   ALA   6           HA       ALA   6  -8.028   6.607   9.383
   46    HB1  ALA   6           1HB      ALA   6  -6.377   4.104   9.856
   47    HB2  ALA   6           2HB      ALA   6  -7.029   5.190  11.083
   48    HB3  ALA   6           3HB      ALA   6  -5.741   5.742  10.012
   49    H    ALA   7           H        ALA   7  -7.074   3.706   7.515
   50    HA   ALA   7           HA       ALA   7  -6.684   5.322   5.081
   51    HB1  ALA   7           1HB      ALA   7  -4.378   3.682   6.145
   52    HB2  ALA   7           2HB      ALA   7  -4.571   5.383   6.569
   53    HB3  ALA   7           3HB      ALA   7  -4.349   4.916   4.884
   54    H    SER   8           H        SER   8  -7.860   4.063   3.674
   55    HA   SER   8           HA       SER   8  -8.599   2.207   2.439
   56    HB2  SER   8           2HB      SER   8  -5.790   1.721   3.194
   57    HB3  SER   8           1HB      SER   8  -6.673   0.269   2.763
   58    HG   SER   8           HG       SER   8  -6.533   2.671   1.232
   59    H    ALA   9           H        ALA   9  -8.402  -0.575   2.954
   60    HA   ALA   9           HA       ALA   9 -10.249  -0.822   5.247
   61    HB1  ALA   9           1HB      ALA   9 -10.524  -3.107   4.316
   62    HB2  ALA   9           2HB      ALA   9  -9.216  -2.786   3.177
   63    HB3  ALA   9           3HB      ALA   9 -10.719  -1.868   3.074
   64    H    GLY  10           H        GLY  10  -7.497  -0.196   6.012
   65    HA2  GLY  10           2HA      GLY  10  -5.849  -0.911   7.507
   66    HA3  GLY  10           1HA      GLY  10  -7.031  -2.095   8.064
   67    H    GLY  11           H        GLY  11  -5.652  -1.880   4.793
   68    HA2  GLY  11           2HA      GLY  11  -3.832  -4.126   5.235
   69    HA3  GLY  11           1HA      GLY  11  -5.256  -4.551   4.286
   70    H    ALA  12           H        ALA  12  -5.677  -2.496   2.606
   71    HA   ALA  12           HA       ALA  12  -3.739  -2.756   0.554
   72    HB1  ALA  12           1HB      ALA  12  -5.195  -1.427  -0.608
   73    HB2  ALA  12           2HB      ALA  12  -5.302  -0.233   0.685
   74    HB3  ALA  12           3HB      ALA  12  -6.237  -1.725   0.784
   75    H    VAL  13           H        VAL  13  -4.175   0.013   2.808
   76    HA   VAL  13           HA       VAL  13  -1.890   1.498   1.870
   77    HB   VAL  13           HB       VAL  13  -3.656   1.502   4.319
   78   HG11  VAL  13          1HG1      VAL  13  -1.116   3.070   3.886
   79   HG12  VAL  13          2HG1      VAL  13  -1.682   2.269   5.352
   80   HG13  VAL  13          3HG1      VAL  13  -2.450   3.760   4.809
   81   HG21  VAL  13          3HG2      VAL  13  -4.562   3.444   3.354
   82   HG22  VAL  13          1HG2      VAL  13  -4.216   2.439   1.948
   83   HG23  VAL  13          2HG2      VAL  13  -3.122   3.751   2.385
   84    H    PHE  14           H        PHE  14  -2.251  -1.054   4.315
   85    HA   PHE  14           HA       PHE  14   0.370  -0.735   5.510
   86    HB2  PHE  14           2HB      PHE  14  -1.670  -1.847   6.513
   87    HB3  PHE  14           1HB      PHE  14  -1.406  -3.190   5.401
   88    HD1  PHE  14           2HD      PHE  14   0.649  -1.078   7.745
   89    HD2  PHE  14           1HD      PHE  14  -0.242  -5.011   6.263
   90    HE1  PHE  14           2HE      PHE  14   2.319  -2.043   9.300
   91    HE2  PHE  14           1HE      PHE  14   1.429  -5.975   7.821
   92    HZ   PHE  14           HZ       PHE  14   2.711  -4.492   9.339
   93    H    VAL  15           H        VAL  15  -0.940  -2.878   2.947
   94    HA   VAL  15           HA       VAL  15   1.361  -4.484   2.490
   95    HB   VAL  15           HB       VAL  15  -0.884  -3.468   0.723
   96   HG11  VAL  15          1HG1      VAL  15  -0.227  -5.316  -0.854
   97   HG12  VAL  15          2HG1      VAL  15   1.278  -5.487   0.050
   98   HG13  VAL  15          3HG1      VAL  15   0.927  -3.983  -0.804
   99   HG21  VAL  15          3HG2      VAL  15  -1.232  -5.100   2.691
  100   HG22  VAL  15          1HG2      VAL  15  -0.353  -6.274   1.712
  101   HG23  VAL  15          2HG2      VAL  15  -1.868  -5.592   1.122
  102    H    GLY  16           H        GLY  16   0.467  -1.324   1.045
  103    HA2  GLY  16           2HA      GLY  16   2.772  -1.062  -0.638
  104    HA3  GLY  16           1HA      GLY  16   1.759   0.273  -0.087
  105    H    LEU  17           H        LEU  17   2.188  -0.263   2.768
  106    HA   LEU  17           HA       LEU  17   4.693   1.196   3.126
  107    HB2  LEU  17           2HB      LEU  17   2.406   1.253   4.433
  108    HB3  LEU  17           1HB      LEU  17   3.109  -0.091   5.335
  109    HG   LEU  17           HG       LEU  17   5.207   1.495   5.503
  110   HD11  LEU  17          1HD1      LEU  17   4.732   3.832   5.442
  111   HD12  LEU  17          2HD1      LEU  17   2.996   3.551   5.303
  112   HD13  LEU  17          3HD1      LEU  17   4.062   3.176   3.949
  113   HD21  LEU  17          3HD2      LEU  17   3.984   0.765   7.459
  114   HD22  LEU  17          1HD2      LEU  17   2.634   1.835   7.076
  115   HD23  LEU  17          2HD2      LEU  17   4.182   2.513   7.580
  116    H    VAL  18           H        VAL  18   3.584  -2.155   3.653
  117    HA   VAL  18           HA       VAL  18   5.827  -3.138   5.128
  118    HB   VAL  18           HB       VAL  18   3.795  -4.350   3.239
  119   HG11  VAL  18          1HG1      VAL  18   5.997  -5.769   4.767
  120   HG12  VAL  18          2HG1      VAL  18   5.688  -5.830   3.032
  121   HG13  VAL  18          3HG1      VAL  18   4.557  -6.583   4.155
  122   HG21  VAL  18          3HG2      VAL  18   2.737  -5.096   5.223
  123   HG22  VAL  18          1HG2      VAL  18   3.269  -3.459   5.608
  124   HG23  VAL  18          2HG2      VAL  18   4.188  -4.844   6.193
  125    H    LEU  19           H        LEU  19   5.250  -3.020   1.589
  126    HA   LEU  19           HA       LEU  19   7.726  -4.241   0.792
  127    HB2  LEU  19           2HB      LEU  19   5.408  -3.328  -0.414
  128    HB3  LEU  19           1HB      LEU  19   6.606  -2.175  -0.990
  129    HG   LEU  19           HG       LEU  19   6.491  -4.013  -2.561
  130   HD11  LEU  19          1HD1      LEU  19   8.757  -4.458  -2.769
  131   HD12  LEU  19          2HD1      LEU  19   8.982  -4.691  -1.036
  132   HD13  LEU  19          3HD1      LEU  19   8.790  -3.063  -1.690
  133   HD21  LEU  19          3HD2      LEU  19   6.818  -6.321  -1.927
  134   HD22  LEU  19          1HD2      LEU  19   5.556  -5.656  -0.892
  135   HD23  LEU  19          2HD2      LEU  19   7.191  -5.866  -0.265
  136    H    LEU  20           H        LEU  20   6.837  -0.865   1.508
  137    HA   LEU  20           HA       LEU  20   9.395   0.259   0.655
  138    HB2  LEU  20           2HB      LEU  20   6.939   1.261   0.952
  139    HB3  LEU  20           1HB      LEU  20   7.539   1.621   2.571
  140    HG   LEU  20           HG       LEU  20   9.603   2.626   1.369
  141   HD11  LEU  20          1HD1      LEU  20   9.082   3.491  -0.909
  142   HD12  LEU  20          2HD1      LEU  20   7.591   2.550  -0.902
  143   HD13  LEU  20          3HD1      LEU  20   9.152   1.730  -0.860
  144   HD21  LEU  20          3HD2      LEU  20   7.905   3.978   2.540
  145   HD22  LEU  20          1HD2      LEU  20   6.874   3.937   1.108
  146   HD23  LEU  20          2HD2      LEU  20   8.420   4.783   1.059
  147    H    THR  21           H        THR  21   7.970  -0.801   3.744
  148    HA   THR  21           HA       THR  21   9.976   0.247   5.506
  149    HB   THR  21           HB       THR  21   8.037  -2.077   5.666
  150    HG1  THR  21           1HG      THR  21   6.935  -0.219   5.707
  151   HG21  THR  21          3HG2      THR  21  10.069  -1.104   7.630
  152   HG22  THR  21          1HG2      THR  21   9.461  -2.736   7.355
  153   HG23  THR  21          2HG2      THR  21   8.481  -1.569   8.240
  154    H    LEU  22           H        LEU  22   9.985  -2.587   3.404
  155    HA   LEU  22           HA       LEU  22  11.996  -4.123   4.751
  156    HB2  LEU  22           2HB      LEU  22  10.548  -4.095   2.219
  157    HB3  LEU  22           1HB      LEU  22  12.222  -4.583   1.984
  158    HG   LEU  22           HG       LEU  22  10.758  -6.520   2.425
  159   HD11  LEU  22          1HD1      LEU  22  12.158  -7.593   4.030
  160   HD12  LEU  22          2HD1      LEU  22  12.554  -6.064   4.813
  161   HD13  LEU  22          3HD1      LEU  22  13.177  -6.417   3.201
  162   HD21  LEU  22          3HD2      LEU  22   9.817  -6.795   4.729
  163   HD22  LEU  22          1HD2      LEU  22   9.072  -5.469   3.839
  164   HD23  LEU  22          2HD2      LEU  22  10.275  -5.130   5.082
  165    H    SER  23           H        SER  23  12.598  -2.455   1.619
  166    HA   SER  23           HA       SER  23  14.518  -1.352   0.819
  167    HB2  SER  23           2HB      SER  23  13.639  -0.248   3.267
  168    HB3  SER  23           1HB      SER  23  15.390  -0.312   3.384
  169    HG   SER  23           HG       SER  23  13.735   1.130   1.668
  170    HA   PRO  24           HA       PRO  24  18.217  -3.624   1.735
  171    HB2  PRO  24           2HB      PRO  24  20.263  -1.850   2.096
  172    HB3  PRO  24           1HB      PRO  24  19.503  -2.144   0.520
  173    HG2  PRO  24           2HG      PRO  24  19.146   0.120   2.391
  174    HG3  PRO  24           1HG      PRO  24  19.112   0.095   0.622
  175    HD2  PRO  24           2HD      PRO  24  16.888   0.203   2.244
  176    HD3  PRO  24           1HD      PRO  24  16.891  -0.340   0.554
  177    H    HIS  25           H        HIS  25  16.969  -4.036   3.931
  178    HA   HIS  25           HA       HIS  25  18.577  -3.086   6.279
  179    HB2  HIS  25           2HB      HIS  25  15.731  -3.914   5.799
  180    HB3  HIS  25           1HB      HIS  25  16.410  -4.117   7.413
  181    HD1  HIS  25           1HD      HIS  25  16.227  -2.098   8.874
  182    HD2  HIS  25           2HD      HIS  25  16.216  -1.073   4.833
  183    HE1  HIS  25           1HE      HIS  25  15.897   0.409   8.770
  184    H    TYR  26           H        TYR  26  16.920  -6.031   5.038
  185    HA   TYR  26           HA       TYR  26  18.456  -7.768   6.848
  186    HB2  TYR  26           2HB      TYR  26  15.988  -7.936   5.946
  187    HB3  TYR  26           1HB      TYR  26  16.746  -8.694   4.546
  188    HD1  TYR  26           2HD      TYR  26  18.113 -10.773   4.836
  189    HD2  TYR  26           1HD      TYR  26  15.824  -9.071   8.050
  190    HE1  TYR  26           2HE      TYR  26  18.281 -12.908   6.088
  191    HE2  TYR  26           1HE      TYR  26  15.993 -11.205   9.300
  192    HH   TYR  26           HH       TYR  26  16.458 -13.900   8.280
  193    H    LYS  27           H        LYS  27  20.557  -6.970   5.908
  194    HA   LYS  27           HA       LYS  27  22.496  -7.309   4.670
  195    HB2  LYS  27           2HB      LYS  27  20.927  -9.847   4.196
  196    HB3  LYS  27           1HB      LYS  27  22.533  -9.620   3.508
  197    HG2  LYS  27           2HG      LYS  27  22.905  -8.822   6.122
  198    HG3  LYS  27           1HG      LYS  27  21.751 -10.142   6.294
  199    HD2  LYS  27           2HD      LYS  27  23.814 -10.831   4.373
  200    HD3  LYS  27           1HD      LYS  27  24.527 -10.372   5.918
  201    HE2  LYS  27           2HE      LYS  27  23.710 -12.217   6.990
  202    HE3  LYS  27           1HE      LYS  27  22.159 -12.147   6.132
  203    HZ1  LYS  27           3HZ      LYS  27  24.736 -13.015   4.919
  204    HZ2  LYS  27           1HZ      LYS  27  23.228 -12.976   4.144
  205    HZ3  LYS  27           2HZ      LYS  27  23.494 -14.056   5.427
  Start of MODEL   18
    1    H1   MET   1           1HT      MET   1 -19.565  -3.248  -6.986
    2    H2   MET   1           2HT      MET   1 -18.318  -3.681  -5.916
    3    H3   MET   1           3HT      MET   1 -18.740  -4.715  -7.193
    4    HA   MET   1           HA       MET   1 -16.681  -3.522  -7.703
    5    HB2  MET   1           2HB      MET   1 -19.232  -3.382  -9.190
    6    HB3  MET   1           1HB      MET   1 -17.999  -2.254  -9.753
    7    HG2  MET   1           2HG      MET   1 -16.444  -4.007 -10.186
    8    HG3  MET   1           1HG      MET   1 -17.399  -5.179  -9.277
    9    HE1  MET   1           2HE      MET   1 -16.761  -3.085 -12.123
   10    HE2  MET   1           3HE      MET   1 -18.414  -2.597 -12.475
   11    HE3  MET   1           1HE      MET   1 -17.599  -3.788 -13.502
   12    H    ASP   2           H        ASP   2 -15.905  -1.334  -8.537
   13    HA   ASP   2           HA       ASP   2 -15.486   0.943  -8.281
   14    HB2  ASP   2           2HB      ASP   2 -18.027   0.858  -8.855
   15    HB3  ASP   2           1HB      ASP   2 -18.259   1.267  -7.155
   16    H    ARG   3           H        ARG   3 -17.638   0.229  -5.480
   17    HA   ARG   3           HA       ARG   3 -15.683   1.547  -3.678
   18    HB2  ARG   3           2HB      ARG   3 -18.556   0.995  -3.778
   19    HB3  ARG   3           1HB      ARG   3 -17.862   0.662  -2.193
   20    HG2  ARG   3           2HG      ARG   3 -18.423   2.944  -2.072
   21    HG3  ARG   3           1HG      ARG   3 -16.699   2.964  -2.437
   22    HD2  ARG   3           2HD      ARG   3 -17.849   2.875  -4.965
   23    HD3  ARG   3           1HD      ARG   3 -18.947   3.933  -4.059
   24    HE   ARG   3           HE       ARG   3 -16.039   4.446  -3.763
   25   HH11  ARG   3          1HH1      ARG   3 -17.257   5.101  -6.513
   26   HH12  ARG   3          2HH1      ARG   3 -17.619   6.787  -6.310
   27   HH21  ARG   3          1HH2      ARG   3 -17.305   6.690  -2.835
   28   HH22  ARG   3          2HH2      ARG   3 -17.647   7.695  -4.201
   29    H    GLU   4           H        GLU   4 -16.246  -1.637  -4.765
   30    HA   GLU   4           HA       GLU   4 -15.987  -3.245  -2.436
   31    HB2  GLU   4           2HB      GLU   4 -16.207  -3.619  -5.154
   32    HB3  GLU   4           1HB      GLU   4 -14.549  -4.139  -4.863
   33    HG2  GLU   4           2HG      GLU   4 -15.559  -6.126  -4.367
   34    HG3  GLU   4           1HG      GLU   4 -15.785  -5.374  -2.790
   35    H    MET   5           H        MET   5 -13.459  -1.846  -4.555
   36    HA   MET   5           HA       MET   5 -11.232  -2.880  -2.986
   37    HB2  MET   5           2HB      MET   5 -11.617  -0.902  -5.230
   38    HB3  MET   5           1HB      MET   5 -10.049  -1.047  -4.438
   39    HG2  MET   5           2HG      MET   5  -9.659  -2.734  -5.896
   40    HG3  MET   5           1HG      MET   5 -10.730  -3.687  -4.871
   41    HE1  MET   5           3HE      MET   5 -10.151  -4.048  -8.155
   42    HE2  MET   5           1HE      MET   5 -11.753  -4.754  -8.430
   43    HE3  MET   5           2HE      MET   5 -10.858  -5.131  -6.961
   44    H    ALA   6           H        ALA   6 -13.119   0.125  -3.018
   45    HA   ALA   6           HA       ALA   6 -11.427   1.788  -1.440
   46    HB1  ALA   6           1HB      ALA   6 -14.456   1.696  -1.503
   47    HB2  ALA   6           2HB      ALA   6 -13.463   2.440  -2.758
   48    HB3  ALA   6           3HB      ALA   6 -13.448   3.090  -1.118
   49    H    ALA   7           H        ALA   7 -13.629  -0.825  -0.491
   50    HA   ALA   7           HA       ALA   7 -13.814  -0.180   2.318
   51    HB1  ALA   7           1HB      ALA   7 -15.312  -1.697   0.975
   52    HB2  ALA   7           2HB      ALA   7 -14.735  -2.422   2.475
   53    HB3  ALA   7           3HB      ALA   7 -14.000  -2.876   0.938
   54    H    SER   8           H        SER   8 -11.531  -2.153   0.407
   55    HA   SER   8           HA       SER   8 -10.013  -2.881   2.858
   56    HB2  SER   8           2HB      SER   8  -9.895  -3.653  -0.064
   57    HB3  SER   8           1HB      SER   8  -8.700  -4.198   1.105
   58    HG   SER   8           HG       SER   8 -10.152  -5.494   1.963
   59    H    ALA   9           H        ALA   9 -10.072  -0.026   1.766
   60    HA   ALA   9           HA       ALA   9  -7.580   0.594   0.476
   61    HB1  ALA   9           1HB      ALA   9  -9.522   2.088   0.513
   62    HB2  ALA   9           2HB      ALA   9  -8.142   2.897   1.254
   63    HB3  ALA   9           3HB      ALA   9  -9.414   2.218   2.269
   64    H    GLY  10           H        GLY  10  -8.522   0.418   3.927
   65    HA2  GLY  10           2HA      GLY  10  -6.099   1.452   5.034
   66    HA3  GLY  10           1HA      GLY  10  -7.206   0.363   5.875
   67    H    GLY  11           H        GLY  11  -7.112  -1.913   4.349
   68    HA2  GLY  11           2HA      GLY  11  -4.665  -3.163   5.158
   69    HA3  GLY  11           1HA      GLY  11  -5.861  -3.874   4.071
   70    H    ALA  12           H        ALA  12  -5.793  -1.911   2.005
   71    HA   ALA  12           HA       ALA  12  -3.628  -2.802   0.374
   72    HB1  ALA  12           1HB      ALA  12  -5.692  -1.885  -0.526
   73    HB2  ALA  12           2HB      ALA  12  -4.357  -0.865  -1.061
   74    HB3  ALA  12           3HB      ALA  12  -5.393  -0.336   0.264
   75    H    VAL  13           H        VAL  13  -4.022   0.248   2.226
   76    HA   VAL  13           HA       VAL  13  -1.533   1.467   1.492
   77    HB   VAL  13           HB       VAL  13  -3.298   1.670   3.960
   78   HG11  VAL  13          1HG1      VAL  13  -1.304   2.601   4.751
   79   HG12  VAL  13          2HG1      VAL  13  -2.101   4.008   4.048
   80   HG13  VAL  13          3HG1      VAL  13  -0.823   3.181   3.156
   81   HG21  VAL  13          3HG2      VAL  13  -3.805   2.430   1.362
   82   HG22  VAL  13          1HG2      VAL  13  -3.115   3.905   2.040
   83   HG23  VAL  13          2HG2      VAL  13  -4.536   3.172   2.782
   84    H    PHE  14           H        PHE  14  -2.408  -0.752   4.146
   85    HA   PHE  14           HA       PHE  14   0.086  -0.773   5.541
   86    HB2  PHE  14           2HB      PHE  14  -2.286  -1.735   6.087
   87    HB3  PHE  14           1HB      PHE  14  -1.716  -3.173   5.239
   88    HD1  PHE  14           1HD      PHE  14   0.172  -4.491   6.109
   89    HD2  PHE  14           2HD      PHE  14  -1.326  -1.061   8.219
   90    HE1  PHE  14           1HE      PHE  14   1.410  -5.198   8.138
   91    HE2  PHE  14           2HE      PHE  14  -0.087  -1.769  10.247
   92    HZ   PHE  14           HZ       PHE  14   1.281  -3.838  10.207
   93    H    VAL  15           H        VAL  15  -1.089  -2.731   2.780
   94    HA   VAL  15           HA       VAL  15   1.136  -4.538   2.605
   95    HB   VAL  15           HB       VAL  15  -0.719  -3.428   0.459
   96   HG11  VAL  15          1HG1      VAL  15   1.313  -4.545  -0.454
   97   HG12  VAL  15          2HG1      VAL  15  -0.164  -5.440  -0.812
   98   HG13  VAL  15          3HG1      VAL  15   0.910  -5.990   0.475
   99   HG21  VAL  15          3HG2      VAL  15  -1.199  -6.156   1.375
  100   HG22  VAL  15          1HG2      VAL  15  -2.321  -4.801   1.273
  101   HG23  VAL  15          2HG2      VAL  15  -1.314  -5.004   2.705
  102    H    GLY  16           H        GLY  16   0.520  -1.358   1.082
  103    HA2  GLY  16           2HA      GLY  16   2.957  -1.232  -0.428
  104    HA3  GLY  16           1HA      GLY  16   1.969   0.157   0.028
  105    H    LEU  17           H        LEU  17   2.096  -0.259   2.878
  106    HA   LEU  17           HA       LEU  17   4.502   1.152   3.556
  107    HB2  LEU  17           2HB      LEU  17   2.073   0.609   4.714
  108    HB3  LEU  17           1HB      LEU  17   3.141  -0.418   5.667
  109    HG   LEU  17           HG       LEU  17   3.794   2.481   5.126
  110   HD11  LEU  17          1HD1      LEU  17   2.358   3.201   6.718
  111   HD12  LEU  17          2HD1      LEU  17   2.751   1.860   7.794
  112   HD13  LEU  17          3HD1      LEU  17   1.544   1.649   6.526
  113   HD21  LEU  17          3HD2      LEU  17   4.678   0.391   7.136
  114   HD22  LEU  17          1HD2      LEU  17   5.045   2.105   7.322
  115   HD23  LEU  17          2HD2      LEU  17   5.668   1.217   5.933
  116    H    VAL  18           H        VAL  18   3.575  -2.292   3.941
  117    HA   VAL  18           HA       VAL  18   5.920  -3.228   5.276
  118    HB   VAL  18           HB       VAL  18   3.936  -4.494   3.355
  119   HG11  VAL  18          1HG1      VAL  18   4.825  -6.682   4.408
  120   HG12  VAL  18          2HG1      VAL  18   6.255  -5.742   4.835
  121   HG13  VAL  18          3HG1      VAL  18   5.801  -5.936   3.142
  122   HG21  VAL  18          3HG2      VAL  18   2.988  -5.455   5.379
  123   HG22  VAL  18          1HG2      VAL  18   3.145  -3.714   5.610
  124   HG23  VAL  18          2HG2      VAL  18   4.310  -4.810   6.351
  125    H    LEU  19           H        LEU  19   5.168  -2.919   1.803
  126    HA   LEU  19           HA       LEU  19   7.633  -3.982   0.768
  127    HB2  LEU  19           2HB      LEU  19   5.423  -3.616  -0.413
  128    HB3  LEU  19           1HB      LEU  19   5.784  -1.891  -0.425
  129    HG   LEU  19           HG       LEU  19   8.037  -2.626  -1.537
  130   HD11  LEU  19          1HD1      LEU  19   7.663  -4.676  -2.977
  131   HD12  LEU  19          2HD1      LEU  19   6.243  -5.027  -1.992
  132   HD13  LEU  19          3HD1      LEU  19   7.845  -5.017  -1.256
  133   HD21  LEU  19          3HD2      LEU  19   5.367  -2.762  -2.976
  134   HD22  LEU  19          1HD2      LEU  19   6.927  -2.555  -3.771
  135   HD23  LEU  19          2HD2      LEU  19   6.322  -1.307  -2.683
  136    H    LEU  20           H        LEU  20   6.596  -0.691   1.667
  137    HA   LEU  20           HA       LEU  20   8.855   0.788   0.741
  138    HB2  LEU  20           2HB      LEU  20   6.484   1.406   1.778
  139    HB3  LEU  20           1HB      LEU  20   7.400   1.475   3.277
  140    HG   LEU  20           HG       LEU  20   7.207   3.684   2.152
  141   HD11  LEU  20          1HD1      LEU  20  10.099   3.009   1.915
  142   HD12  LEU  20          2HD1      LEU  20   9.322   2.731   3.473
  143   HD13  LEU  20          3HD1      LEU  20   9.316   4.343   2.761
  144   HD21  LEU  20          3HD2      LEU  20   8.255   4.127   0.049
  145   HD22  LEU  20          1HD2      LEU  20   7.289   2.671  -0.190
  146   HD23  LEU  20          2HD2      LEU  20   9.036   2.546   0.024
  147    H    THR  21           H        THR  21   8.251  -0.846   3.869
  148    HA   THR  21           HA       THR  21  10.715  -0.007   5.129
  149    HB   THR  21           HB       THR  21   8.930  -2.406   5.680
  150    HG1  THR  21           1HG      THR  21   7.551  -0.984   6.354
  151   HG21  THR  21          3HG2      THR  21  10.893  -0.865   7.399
  152   HG22  THR  21          1HG2      THR  21  11.012  -2.556   6.913
  153   HG23  THR  21          2HG2      THR  21   9.745  -2.046   8.027
  154    H    LEU  22           H        LEU  22   9.880  -2.713   2.995
  155    HA   LEU  22           HA       LEU  22  12.264  -4.295   3.517
  156    HB2  LEU  22           2HB      LEU  22   9.826  -4.585   2.190
  157    HB3  LEU  22           1HB      LEU  22  11.012  -4.612   0.888
  158    HG   LEU  22           HG       LEU  22  11.212  -6.316   3.388
  159   HD11  LEU  22          1HD1      LEU  22   9.218  -6.800   1.868
  160   HD12  LEU  22          2HD1      LEU  22  10.332  -8.143   2.125
  161   HD13  LEU  22          3HD1      LEU  22  10.390  -7.225   0.621
  162   HD21  LEU  22          3HD2      LEU  22  13.375  -6.133   2.458
  163   HD22  LEU  22          1HD2      LEU  22  12.762  -6.099   0.806
  164   HD23  LEU  22          2HD2      LEU  22  12.749  -7.607   1.719
  165    H    SER  23           H        SER  23  11.471  -1.640   1.316
  166    HA   SER  23           HA       SER  23  12.786  -0.360  -0.126
  167    HB2  SER  23           2HB      SER  23  14.274  -0.847   2.092
  168    HB3  SER  23           1HB      SER  23  15.307  -1.579   0.874
  169    HG   SER  23           HG       SER  23  14.532   1.080   1.248
  170    HA   PRO  24           HA       PRO  24  13.423  -4.080  -2.827
  171    HB2  PRO  24           2HB      PRO  24  11.491  -3.486  -4.669
  172    HB3  PRO  24           1HB      PRO  24  11.166  -4.407  -3.188
  173    HG2  PRO  24           2HG      PRO  24  10.550  -1.591  -3.827
  174    HG3  PRO  24           1HG      PRO  24   9.683  -2.738  -2.797
  175    HD2  PRO  24           2HD      PRO  24  11.338  -0.703  -1.900
  176    HD3  PRO  24           1HD      PRO  24  10.820  -2.113  -0.953
  177    H    HIS  25           H        HIS  25  15.359  -2.465  -2.963
  178    HA   HIS  25           HA       HIS  25  15.336  -1.021  -5.596
  179    HB2  HIS  25           2HB      HIS  25  16.921  -0.512  -3.060
  180    HB3  HIS  25           1HB      HIS  25  17.047   0.431  -4.544
  181    HD1  HIS  25           1HD      HIS  25  15.259   0.346  -1.405
  182    HD2  HIS  25           2HD      HIS  25  14.340   1.589  -5.279
  183    HE1  HIS  25           1HE      HIS  25  13.234   1.851  -1.214
  184    H    TYR  26           H        TYR  26  17.218  -3.167  -3.453
  185    HA   TYR  26           HA       TYR  26  18.995  -4.623  -3.874
  186    HB2  TYR  26           2HB      TYR  26  17.973  -4.222  -6.709
  187    HB3  TYR  26           1HB      TYR  26  19.120  -5.466  -6.234
  188    HD1  TYR  26           2HD      TYR  26  18.436  -7.325  -4.751
  189    HD2  TYR  26           1HD      TYR  26  15.620  -4.375  -6.107
  190    HE1  TYR  26           2HE      TYR  26  16.561  -8.795  -4.062
  191    HE2  TYR  26           1HE      TYR  26  13.749  -5.846  -5.418
  192    HH   TYR  26           HH       TYR  26  13.551  -7.830  -3.562
  193    H    LYS  27           H        LYS  27  20.953  -4.724  -5.800
  194    HA   LYS  27           HA       LYS  27  22.915  -3.749  -6.581
  195    HB2  LYS  27           2HB      LYS  27  21.255  -2.282  -7.754
  196    HB3  LYS  27           1HB      LYS  27  21.350  -1.154  -6.403
  197    HG2  LYS  27           2HG      LYS  27  23.303  -0.294  -7.127
  198    HG3  LYS  27           1HG      LYS  27  24.001  -1.893  -7.381
  199    HD2  LYS  27           2HD      LYS  27  21.917  -0.990  -9.318
  200    HD3  LYS  27           1HD      LYS  27  23.500  -0.221  -9.418
  201    HE2  LYS  27           2HE      LYS  27  24.348  -2.041 -10.456
  202    HE3  LYS  27           1HE      LYS  27  23.858  -3.072  -9.099
  203    HZ1  LYS  27           3HZ      LYS  27  22.075  -2.166 -11.305
  204    HZ2  LYS  27           1HZ      LYS  27  21.611  -3.135  -9.991
  205    HZ3  LYS  27           2HZ      LYS  27  22.721  -3.728 -11.133
  Start of MODEL   19
    1    H1   MET   1           1HT      MET   1  -8.236 -21.790   0.125
    2    H2   MET   1           2HT      MET   1  -8.147 -21.459   1.788
    3    H3   MET   1           3HT      MET   1  -6.726 -21.721   0.896
    4    HA   MET   1           HA       MET   1  -7.174 -19.342   1.438
    5    HB2  MET   1           2HB      MET   1  -6.574 -18.623  -0.858
    6    HB3  MET   1           1HB      MET   1  -5.688 -20.062  -0.376
    7    HG2  MET   1           2HG      MET   1  -7.395 -21.440  -1.628
    8    HG3  MET   1           1HG      MET   1  -8.100 -19.933  -2.212
    9    HE1  MET   1           2HE      MET   1  -3.993 -21.707  -2.976
   10    HE2  MET   1           3HE      MET   1  -5.430 -22.671  -3.304
   11    HE3  MET   1           1HE      MET   1  -5.143 -22.019  -1.680
   12    H    ASP   2           H        ASP   2  -8.848 -17.987   1.816
   13    HA   ASP   2           HA       ASP   2 -11.224 -18.048  -0.016
   14    HB2  ASP   2           2HB      ASP   2 -11.219 -17.883   3.017
   15    HB3  ASP   2           1HB      ASP   2 -12.647 -17.866   1.987
   16    H    ARG   3           H        ARG   3  -9.795 -16.174   2.718
   17    HA   ARG   3           HA       ARG   3 -10.989 -13.670   1.855
   18    HB2  ARG   3           2HB      ARG   3  -8.827 -14.470   3.816
   19    HB3  ARG   3           1HB      ARG   3  -9.278 -12.786   3.567
   20    HG2  ARG   3           2HG      ARG   3 -11.707 -13.578   3.994
   21    HG3  ARG   3           1HG      ARG   3 -10.967 -15.032   4.667
   22    HD2  ARG   3           2HD      ARG   3  -9.829 -12.447   5.618
   23    HD3  ARG   3           1HD      ARG   3 -11.469 -12.832   6.172
   24    HE   ARG   3           HE       ARG   3 -10.611 -14.918   7.128
   25   HH11  ARG   3          1HH1      ARG   3  -8.259 -15.478   5.448
   26   HH12  ARG   3          2HH1      ARG   3  -6.930 -15.000   6.449
   27   HH21  ARG   3          1HH2      ARG   3  -8.910 -13.111   8.609
   28   HH22  ARG   3          2HH2      ARG   3  -7.301 -13.648   8.258
   29    H    GLU   4           H        GLU   4 -10.353 -12.932  -0.149
   30    HA   GLU   4           HA       GLU   4  -7.499 -13.107  -0.975
   31    HB2  GLU   4           2HB      GLU   4 -10.037 -12.259  -2.415
   32    HB3  GLU   4           1HB      GLU   4  -8.451 -12.407  -3.171
   33    HG2  GLU   4           2HG      GLU   4  -8.385 -14.805  -2.528
   34    HG3  GLU   4           1HG      GLU   4  -9.996 -14.650  -1.833
   35    H    MET   5           H        MET   5 -10.070 -10.578  -0.891
   36    HA   MET   5           HA       MET   5  -8.060  -8.431  -1.053
   37    HB2  MET   5           2HB      MET   5 -10.659  -8.715  -1.848
   38    HB3  MET   5           1HB      MET   5 -10.875  -7.819  -0.344
   39    HG2  MET   5           2HG      MET   5  -8.776  -6.905  -2.280
   40    HG3  MET   5           1HG      MET   5 -10.465  -6.531  -2.613
   41    HE1  MET   5           3HE      MET   5  -7.612  -4.666   0.292
   42    HE2  MET   5           1HE      MET   5  -7.570  -4.676  -1.481
   43    HE3  MET   5           2HE      MET   5  -7.418  -6.181  -0.581
   44    H    ALA   6           H        ALA   6 -10.329  -9.703   1.404
   45    HA   ALA   6           HA       ALA   6  -9.772  -7.816   3.481
   46    HB1  ALA   6           1HB      ALA   6 -11.689  -9.350   3.440
   47    HB2  ALA   6           2HB      ALA   6 -10.761  -9.578   4.920
   48    HB3  ALA   6           3HB      ALA   6 -10.604 -10.730   3.597
   49    H    ALA   7           H        ALA   7  -8.132 -10.873   2.598
   50    HA   ALA   7           HA       ALA   7  -6.285 -10.645   4.906
   51    HB1  ALA   7           1HB      ALA   7  -7.321 -12.788   4.142
   52    HB2  ALA   7           2HB      ALA   7  -5.559 -12.840   4.168
   53    HB3  ALA   7           3HB      ALA   7  -6.411 -12.645   2.638
   54    H    SER   8           H        SER   8  -6.231  -8.696   2.474
   55    HA   SER   8           HA       SER   8  -3.618  -9.286   1.234
   56    HB2  SER   8           2HB      SER   8  -5.504  -8.350  -0.057
   57    HB3  SER   8           1HB      SER   8  -5.550  -6.954   1.011
   58    HG   SER   8           HG       SER   8  -4.108  -7.266  -1.159
   59    H    ALA   9           H        ALA   9  -2.917  -9.200   3.733
   60    HA   ALA   9           HA       ALA   9  -1.837  -8.089   5.511
   61    HB1  ALA   9           1HB      ALA   9  -0.160  -6.380   4.165
   62    HB2  ALA   9           2HB      ALA   9  -0.676  -7.467   2.877
   63    HB3  ALA   9           3HB      ALA   9   0.095  -8.118   4.321
   64    H    GLY  10           H        GLY  10  -3.760  -6.921   6.343
   65    HA2  GLY  10           2HA      GLY  10  -4.548  -4.861   7.256
   66    HA3  GLY  10           1HA      GLY  10  -3.383  -3.999   6.242
   67    H    GLY  11           H        GLY  11  -3.849  -4.313   3.794
   68    HA2  GLY  11           2HA      GLY  11  -6.090  -4.922   2.464
   69    HA3  GLY  11           1HA      GLY  11  -6.643  -3.492   3.338
   70    H    ALA  12           H        ALA  12  -3.575  -4.289   1.666
   71    HA   ALA  12           HA       ALA  12  -2.482  -3.279  -0.143
   72    HB1  ALA  12           1HB      ALA  12  -3.741  -2.091  -1.716
   73    HB2  ALA  12           2HB      ALA  12  -4.774  -1.359  -0.489
   74    HB3  ALA  12           3HB      ALA  12  -4.979  -3.058  -0.916
   75    H    VAL  13           H        VAL  13  -4.243  -0.924   1.891
   76    HA   VAL  13           HA       VAL  13  -2.465   1.292   1.675
   77    HB   VAL  13           HB       VAL  13  -4.134   0.323   4.034
   78   HG11  VAL  13          1HG1      VAL  13  -4.080   2.567   4.847
   79   HG12  VAL  13          2HG1      VAL  13  -3.354   3.170   3.357
   80   HG13  VAL  13          3HG1      VAL  13  -2.409   2.164   4.456
   81   HG21  VAL  13          3HG2      VAL  13  -5.635   0.541   2.205
   82   HG22  VAL  13          1HG2      VAL  13  -4.797   1.959   1.574
   83   HG23  VAL  13          2HG2      VAL  13  -5.757   2.083   3.048
   84    H    PHE  14           H        PHE  14  -2.558  -1.432   3.956
   85    HA   PHE  14           HA       PHE  14  -0.158  -0.683   5.422
   86    HB2  PHE  14           2HB      PHE  14  -2.280  -2.100   6.052
   87    HB3  PHE  14           1HB      PHE  14  -1.395  -3.423   5.303
   88    HD1  PHE  14           1HD      PHE  14  -1.317  -0.916   8.037
   89    HD2  PHE  14           2HD      PHE  14   0.540  -4.402   6.346
   90    HE1  PHE  14           1HE      PHE  14   0.030  -1.201  10.098
   91    HE2  PHE  14           2HE      PHE  14   1.885  -4.686   8.406
   92    HZ   PHE  14           HZ       PHE  14   1.632  -3.086  10.284
   93    H    VAL  15           H        VAL  15  -0.893  -2.807   2.662
   94    HA   VAL  15           HA       VAL  15   1.529  -4.311   2.544
   95    HB   VAL  15           HB       VAL  15  -0.390  -3.348   0.394
   96   HG11  VAL  15          1HG1      VAL  15   1.345  -4.009  -0.966
   97   HG12  VAL  15          2HG1      VAL  15   0.632  -5.593  -0.663
   98   HG13  VAL  15          3HG1      VAL  15   2.044  -5.071   0.256
   99   HG21  VAL  15          3HG2      VAL  15  -1.369  -4.808   2.145
  100   HG22  VAL  15          1HG2      VAL  15  -0.118  -6.008   1.827
  101   HG23  VAL  15          2HG2      VAL  15  -1.306  -5.626   0.584
  102    H    GLY  16           H        GLY  16   0.688  -1.152   1.044
  103    HA2  GLY  16           2HA      GLY  16   3.122  -0.750  -0.372
  104    HA3  GLY  16           1HA      GLY  16   2.053   0.541   0.175
  105    H    LEU  17           H        LEU  17   2.217   0.080   2.982
  106    HA   LEU  17           HA       LEU  17   4.651   1.485   3.642
  107    HB2  LEU  17           2HB      LEU  17   2.259   0.396   4.991
  108    HB3  LEU  17           1HB      LEU  17   3.699   0.427   6.007
  109    HG   LEU  17           HG       LEU  17   3.984   2.864   5.090
  110   HD11  LEU  17          1HD1      LEU  17   1.776   3.934   4.636
  111   HD12  LEU  17          2HD1      LEU  17   1.033   2.336   4.627
  112   HD13  LEU  17          3HD1      LEU  17   2.225   2.760   3.400
  113   HD21  LEU  17          3HD2      LEU  17   1.800   2.104   7.061
  114   HD22  LEU  17          1HD2      LEU  17   2.537   3.701   6.934
  115   HD23  LEU  17          2HD2      LEU  17   3.509   2.321   7.439
  116    H    VAL  18           H        VAL  18   3.655  -1.938   4.106
  117    HA   VAL  18           HA       VAL  18   6.115  -2.773   5.378
  118    HB   VAL  18           HB       VAL  18   3.976  -4.277   3.822
  119   HG11  VAL  18          1HG1      VAL  18   6.499  -5.172   5.091
  120   HG12  VAL  18          2HG1      VAL  18   5.525  -5.952   3.846
  121   HG13  VAL  18          3HG1      VAL  18   5.069  -6.101   5.543
  122   HG21  VAL  18          3HG2      VAL  18   3.368  -3.030   5.979
  123   HG22  VAL  18          1HG2      VAL  18   4.435  -4.159   6.815
  124   HG23  VAL  18          2HG2      VAL  18   3.012  -4.756   5.961
  125    H    LEU  19           H        LEU  19   4.973  -2.784   1.992
  126    HA   LEU  19           HA       LEU  19   7.178  -4.103   0.758
  127    HB2  LEU  19           2HB      LEU  19   4.983  -3.558  -0.274
  128    HB3  LEU  19           1HB      LEU  19   5.412  -1.849  -0.258
  129    HG   LEU  19           HG       LEU  19   7.523  -3.396  -1.506
  130   HD11  LEU  19          1HD1      LEU  19   5.509  -4.892  -1.977
  131   HD12  LEU  19          2HD1      LEU  19   6.370  -4.298  -3.397
  132   HD13  LEU  19          3HD1      LEU  19   4.846  -3.551  -2.914
  133   HD21  LEU  19          3HD2      LEU  19   5.595  -1.310  -2.586
  134   HD22  LEU  19          1HD2      LEU  19   7.128  -1.780  -3.321
  135   HD23  LEU  19          2HD2      LEU  19   7.113  -0.959  -1.762
  136    H    LEU  20           H        LEU  20   6.752  -0.739   1.814
  137    HA   LEU  20           HA       LEU  20   9.110   0.352   0.528
  138    HB2  LEU  20           2HB      LEU  20   6.986   1.507   1.450
  139    HB3  LEU  20           1HB      LEU  20   7.743   1.362   3.033
  140    HG   LEU  20           HG       LEU  20   9.459   2.485   0.880
  141   HD11  LEU  20          1HD1      LEU  20   7.241   4.125   2.140
  142   HD12  LEU  20          2HD1      LEU  20   7.218   3.539   0.476
  143   HD13  LEU  20          3HD1      LEU  20   8.451   4.690   0.988
  144   HD21  LEU  20          3HD2      LEU  20   8.870   3.424   3.706
  145   HD22  LEU  20          1HD2      LEU  20  10.255   3.861   2.705
  146   HD23  LEU  20          2HD2      LEU  20  10.095   2.216   3.316
  147    H    THR  21           H        THR  21   8.416  -0.821   3.841
  148    HA   THR  21           HA       THR  21  11.117  -0.364   4.835
  149    HB   THR  21           HB       THR  21   8.833  -2.070   5.884
  150    HG1  THR  21           1HG      THR  21   8.022  -0.096   5.932
  151   HG21  THR  21          3HG2      THR  21  10.675  -2.716   7.161
  152   HG22  THR  21          1HG2      THR  21  10.035  -1.369   8.101
  153   HG23  THR  21          2HG2      THR  21  11.434  -1.127   7.054
  154    H    LEU  22           H        LEU  22   9.449  -3.101   3.319
  155    HA   LEU  22           HA       LEU  22  11.801  -4.862   3.817
  156    HB2  LEU  22           2HB      LEU  22   9.106  -5.277   4.075
  157    HB3  LEU  22           1HB      LEU  22   9.380  -5.894   2.447
  158    HG   LEU  22           HG       LEU  22  11.188  -6.701   4.723
  159   HD11  LEU  22          1HD1      LEU  22   8.624  -8.095   3.894
  160   HD12  LEU  22          2HD1      LEU  22   8.832  -7.174   5.384
  161   HD13  LEU  22          3HD1      LEU  22   9.767  -8.645   5.120
  162   HD21  LEU  22          3HD2      LEU  22  11.452  -8.718   3.276
  163   HD22  LEU  22          1HD2      LEU  22  11.913  -7.235   2.439
  164   HD23  LEU  22          2HD2      LEU  22  10.357  -7.991   2.100
  165    H    SER  23           H        SER  23  12.690  -3.106   2.178
  166    HA   SER  23           HA       SER  23  12.279  -4.099  -0.627
  167    HB2  SER  23           2HB      SER  23  11.551  -1.768  -0.112
  168    HB3  SER  23           1HB      SER  23  13.195  -1.385   0.380
  169    HG   SER  23           HG       SER  23  13.870  -1.748  -1.721
  170    HA   PRO  24           HA       PRO  24  16.705  -4.944   0.450
  171    HB2  PRO  24           2HB      PRO  24  16.692  -7.639   0.002
  172    HB3  PRO  24           1HB      PRO  24  16.227  -6.922   1.556
  173    HG2  PRO  24           2HG      PRO  24  14.555  -8.166  -0.495
  174    HG3  PRO  24           1HG      PRO  24  14.242  -7.921   1.226
  175    HD2  PRO  24           2HD      PRO  24  13.234  -6.405  -0.959
  176    HD3  PRO  24           1HD      PRO  24  12.991  -6.119   0.777
  177    H    HIS  25           H        HIS  25  16.499  -3.650  -1.725
  178    HA   HIS  25           HA       HIS  25  17.114  -3.363  -3.965
  179    HB2  HIS  25           2HB      HIS  25  18.622  -5.732  -2.952
  180    HB3  HIS  25           1HB      HIS  25  18.623  -5.485  -4.697
  181    HD1  HIS  25           1HD      HIS  25  19.273  -2.891  -5.425
  182    HD2  HIS  25           2HD      HIS  25  20.491  -4.171  -1.649
  183    HE1  HIS  25           1HE      HIS  25  21.099  -1.301  -4.684
  184    H    TYR  26           H        TYR  26  14.566  -4.038  -3.894
  185    HA   TYR  26           HA       TYR  26  14.196  -6.264  -5.878
  186    HB2  TYR  26           2HB      TYR  26  13.344  -6.465  -3.452
  187    HB3  TYR  26           1HB      TYR  26  12.152  -5.245  -3.901
  188    HD1  TYR  26           1HD      TYR  26  13.467  -8.618  -4.800
  189    HD2  TYR  26           2HD      TYR  26  10.234  -5.814  -5.176
  190    HE1  TYR  26           1HE      TYR  26  12.071 -10.367  -5.866
  191    HE2  TYR  26           2HE      TYR  26   8.840  -7.563  -6.242
  192    HH   TYR  26           HH       TYR  26   9.055 -10.464  -6.033
  193    H    LYS  27           H        LYS  27  12.348  -5.921  -7.377
  194    HA   LYS  27           HA       LYS  27  11.845  -3.019  -7.957
  195    HB2  LYS  27           2HB      LYS  27  12.412  -5.432  -9.666
  196    HB3  LYS  27           1HB      LYS  27  11.532  -4.063 -10.344
  197    HG2  LYS  27           2HG      LYS  27  13.394  -2.559  -9.595
  198    HG3  LYS  27           1HG      LYS  27  14.291  -3.992  -9.091
  199    HD2  LYS  27           2HD      LYS  27  15.135  -3.760 -11.226
  200    HD3  LYS  27           1HD      LYS  27  13.737  -4.777 -11.579
  201    HE2  LYS  27           2HE      LYS  27  12.400  -2.725 -12.081
  202    HE3  LYS  27           1HE      LYS  27  13.859  -1.747 -11.828
  203    HZ1  LYS  27           3HZ      LYS  27  13.607  -2.324 -14.166
  204    HZ2  LYS  27           1HZ      LYS  27  13.590  -3.975 -13.785
  205    HZ3  LYS  27           2HZ      LYS  27  14.997  -3.054 -13.520
  Start of MODEL   20
    1    H1   MET   1           1HT      MET   1 -20.651   5.803  -0.051
    2    H2   MET   1           2HT      MET   1 -20.341   7.464   0.119
    3    H3   MET   1           3HT      MET   1 -19.593   6.345   1.157
    4    HA   MET   1           HA       MET   1 -19.104   6.640  -1.769
    5    HB2  MET   1           2HB      MET   1 -17.751   7.474   0.781
    6    HB3  MET   1           1HB      MET   1 -16.750   7.082  -0.614
    7    HG2  MET   1           2HG      MET   1 -17.388   8.943  -1.762
    8    HG3  MET   1           1HG      MET   1 -19.057   8.840  -1.200
    9    HE1  MET   1           2HE      MET   1 -15.393  10.464   0.926
   10    HE2  MET   1           3HE      MET   1 -15.767  11.082  -0.680
   11    HE3  MET   1           1HE      MET   1 -15.527   9.345  -0.425
   12    H    ASP   2           H        ASP   2 -19.073   4.504  -2.464
   13    HA   ASP   2           HA       ASP   2 -17.593   2.489  -0.806
   14    HB2  ASP   2           2HB      ASP   2 -19.699   2.213  -2.977
   15    HB3  ASP   2           1HB      ASP   2 -18.972   0.869  -2.094
   16    H    ARG   3           H        ARG   3 -16.188   4.377  -2.467
   17    HA   ARG   3           HA       ARG   3 -15.099   2.620  -4.648
   18    HB2  ARG   3           2HB      ARG   3 -15.630   5.574  -4.400
   19    HB3  ARG   3           1HB      ARG   3 -14.351   5.015  -5.472
   20    HG2  ARG   3           2HG      ARG   3 -16.247   5.127  -6.872
   21    HG3  ARG   3           1HG      ARG   3 -16.110   3.421  -6.470
   22    HD2  ARG   3           2HD      ARG   3 -18.466   4.375  -6.321
   23    HD3  ARG   3           1HD      ARG   3 -17.902   3.591  -4.840
   24    HE   ARG   3           HE       ARG   3 -17.800   5.722  -3.787
   25   HH11  ARG   3          1HH2      ARG   3 -20.117   6.378  -5.659
   26   HH12  ARG   3          2HH2      ARG   3 -19.603   7.893  -6.318
   27   HH21  ARG   3          1HH1      ARG   3 -16.294   7.498  -5.295
   28   HH22  ARG   3          2HH1      ARG   3 -17.416   8.534  -6.110
   29    H    GLU   4           H        GLU   4 -14.292   5.185  -2.296
   30    HA   GLU   4           HA       GLU   4 -11.419   4.468  -2.351
   31    HB2  GLU   4           2HB      GLU   4 -12.351   6.824  -2.397
   32    HB3  GLU   4           1HB      GLU   4 -12.909   6.563  -0.745
   33    HG2  GLU   4           2HG      GLU   4 -10.138   5.769  -0.979
   34    HG3  GLU   4           1HG      GLU   4 -10.344   7.420  -1.564
   35    H    MET   5           H        MET   5 -14.230   4.419  -0.155
   36    HA   MET   5           HA       MET   5 -12.661   3.175   2.029
   37    HB2  MET   5           2HB      MET   5 -15.400   4.351   1.653
   38    HB3  MET   5           1HB      MET   5 -15.082   3.321   3.047
   39    HG2  MET   5           2HG      MET   5 -13.795   4.888   4.067
   40    HG3  MET   5           1HG      MET   5 -12.998   5.350   2.564
   41    HE1  MET   5           3HE      MET   5 -13.286   8.057   2.086
   42    HE2  MET   5           1HE      MET   5 -14.739   8.112   1.074
   43    HE3  MET   5           2HE      MET   5 -13.632   6.749   0.961
   44    H    ALA   6           H        ALA   6 -13.543   1.752  -0.669
   45    HA   ALA   6           HA       ALA   6 -15.155  -0.480   0.461
   46    HB1  ALA   6           1HB      ALA   6 -15.918   0.354  -1.648
   47    HB2  ALA   6           2HB      ALA   6 -15.086  -1.155  -2.019
   48    HB3  ALA   6           3HB      ALA   6 -14.283   0.388  -2.309
   49    H    ALA   7           H        ALA   7 -12.314  -0.310  -1.735
   50    HA   ALA   7           HA       ALA   7 -10.796  -2.184   0.004
   51    HB1  ALA   7           1HB      ALA   7 -10.529  -3.748  -1.920
   52    HB2  ALA   7           2HB      ALA   7 -11.667  -2.764  -2.840
   53    HB3  ALA   7           3HB      ALA   7 -12.204  -3.606  -1.387
   54    H    SER   8           H        SER   8 -10.566   0.666  -1.297
   55    HA   SER   8           HA       SER   8  -7.982   0.271  -2.746
   56    HB2  SER   8           2HB      SER   8  -8.498   2.724  -3.393
   57    HB3  SER   8           1HB      SER   8  -9.501   1.464  -4.096
   58    HG   SER   8           HG       SER   8 -11.109   2.494  -3.204
   59    H    ALA   9           H        ALA   9  -9.477   2.449  -0.268
   60    HA   ALA   9           HA       ALA   9  -6.753   3.258   0.604
   61    HB1  ALA   9           1HB      ALA   9  -9.527   4.076   1.529
   62    HB2  ALA   9           2HB      ALA   9  -8.577   4.910   0.300
   63    HB3  ALA   9           3HB      ALA   9  -8.018   4.874   1.972
   64    H    GLY  10           H        GLY  10  -6.393   0.883   1.308
   65    HA2  GLY  10           2HA      GLY  10  -6.603   0.682   4.164
   66    HA3  GLY  10           1HA      GLY  10  -7.812  -0.357   3.415
   67    H    GLY  11           H        GLY  11  -7.037  -2.064   1.955
   68    HA2  GLY  11           2HA      GLY  11  -4.879  -3.586   2.971
   69    HA3  GLY  11           1HA      GLY  11  -5.618  -3.844   1.395
   70    H    ALA  12           H        ALA  12  -4.959  -1.537   0.043
   71    HA   ALA  12           HA       ALA  12  -2.294  -1.971  -0.859
   72    HB1  ALA  12           1HB      ALA  12  -4.110   0.455  -1.034
   73    HB2  ALA  12           2HB      ALA  12  -4.052  -0.891  -2.174
   74    HB3  ALA  12           3HB      ALA  12  -2.675   0.201  -2.028
   75    H    VAL  13           H        VAL  13  -3.578   0.311   1.560
   76    HA   VAL  13           HA       VAL  13  -1.161   1.839   1.936
   77    HB   VAL  13           HB       VAL  13  -3.502   1.291   3.800
   78   HG11  VAL  13          1HG1      VAL  13  -1.590   3.644   3.758
   79   HG12  VAL  13          2HG1      VAL  13  -1.463   2.290   4.881
   80   HG13  VAL  13          3HG1      VAL  13  -2.877   3.342   4.926
   81   HG21  VAL  13          3HG2      VAL  13  -4.045   3.715   2.862
   82   HG22  VAL  13          1HG2      VAL  13  -4.525   2.281   1.955
   83   HG23  VAL  13          2HG2      VAL  13  -3.073   3.169   1.496
   84    H    PHE  14           H        PHE  14  -2.537  -0.984   3.680
   85    HA   PHE  14           HA       PHE  14  -0.415  -1.207   5.623
   86    HB2  PHE  14           2HB      PHE  14  -2.841  -2.197   5.498
   87    HB3  PHE  14           1HB      PHE  14  -2.071  -3.517   4.621
   88    HD1  PHE  14           1HD      PHE  14  -0.384  -4.948   5.714
   89    HD2  PHE  14           2HD      PHE  14  -2.402  -1.820   7.859
   90    HE1  PHE  14           1HE      PHE  14   0.385  -5.923   7.862
   91    HE2  PHE  14           2HE      PHE  14  -1.632  -2.795  10.005
   92    HZ   PHE  14           HZ       PHE  14  -0.238  -4.847  10.006
   93    H    VAL  15           H        VAL  15  -1.033  -2.974   2.559
   94    HA   VAL  15           HA       VAL  15   1.378  -4.564   2.649
   95    HB   VAL  15           HB       VAL  15  -0.493  -3.713   0.410
   96   HG11  VAL  15          1HG1      VAL  15   1.331  -4.401  -0.846
   97   HG12  VAL  15          2HG1      VAL  15   0.545  -5.955  -0.572
   98   HG13  VAL  15          3HG1      VAL  15   1.928  -5.480   0.414
   99   HG21  VAL  15          3HG2      VAL  15  -0.325  -6.495   1.483
  100   HG22  VAL  15          1HG2      VAL  15  -1.726  -5.600   0.896
  101   HG23  VAL  15          2HG2      VAL  15  -1.092  -5.284   2.509
  102    H    GLY  16           H        GLY  16   0.584  -1.428   1.125
  103    HA2  GLY  16           2HA      GLY  16   3.011  -1.049  -0.313
  104    HA3  GLY  16           1HA      GLY  16   1.946   0.246   0.233
  105    H    LEU  17           H        LEU  17   2.106  -0.121   3.021
  106    HA   LEU  17           HA       LEU  17   4.515   1.274   3.708
  107    HB2  LEU  17           2HB      LEU  17   2.343   1.290   4.943
  108    HB3  LEU  17           1HB      LEU  17   2.638  -0.374   5.440
  109    HG   LEU  17           HG       LEU  17   4.973   1.168   6.067
  110   HD11  LEU  17          1HD1      LEU  17   4.117   2.864   7.524
  111   HD12  LEU  17          2HD1      LEU  17   2.461   2.291   7.330
  112   HD13  LEU  17          3HD1      LEU  17   3.287   3.074   5.983
  113   HD21  LEU  17          3HD2      LEU  17   2.833   0.068   7.917
  114   HD22  LEU  17          1HD2      LEU  17   4.537   0.330   8.295
  115   HD23  LEU  17          2HD2      LEU  17   4.071  -0.930   7.154
  116    H    VAL  18           H        VAL  18   3.605  -2.178   4.109
  117    HA   VAL  18           HA       VAL  18   6.052  -3.030   5.363
  118    HB   VAL  18           HB       VAL  18   3.944  -4.447   3.689
  119   HG11  VAL  18          1HG1      VAL  18   6.278  -5.570   5.260
  120   HG12  VAL  18          2HG1      VAL  18   5.883  -5.851   3.565
  121   HG13  VAL  18          3HG1      VAL  18   4.863  -6.532   4.831
  122   HG21  VAL  18          3HG2      VAL  18   3.345  -3.393   5.943
  123   HG22  VAL  18          1HG2      VAL  18   4.432  -4.573   6.675
  124   HG23  VAL  18          2HG2      VAL  18   3.009  -5.117   5.787
  125    H    LEU  19           H        LEU  19   5.017  -2.876   1.942
  126    HA   LEU  19           HA       LEU  19   7.386  -4.055   0.801
  127    HB2  LEU  19           2HB      LEU  19   5.037  -3.567  -0.196
  128    HB3  LEU  19           1HB      LEU  19   5.658  -1.944  -0.495
  129    HG   LEU  19           HG       LEU  19   7.708  -3.345  -1.516
  130   HD11  LEU  19          1HD1      LEU  19   6.494  -5.221  -2.879
  131   HD12  LEU  19          2HD1      LEU  19   5.311  -5.168  -1.573
  132   HD13  LEU  19          3HD1      LEU  19   6.994  -5.559  -1.223
  133   HD21  LEU  19          3HD2      LEU  19   6.129  -3.318  -3.711
  134   HD22  LEU  19          1HD2      LEU  19   6.817  -1.851  -3.017
  135   HD23  LEU  19          2HD2      LEU  19   5.154  -2.306  -2.647
  136    H    LEU  20           H        LEU  20   6.551  -0.743   1.783
  137    HA   LEU  20           HA       LEU  20   8.813   0.578   0.551
  138    HB2  LEU  20           2HB      LEU  20   6.464   1.328   1.720
  139    HB3  LEU  20           1HB      LEU  20   7.591   1.696   3.018
  140    HG   LEU  20           HG       LEU  20   7.319   3.668   1.644
  141   HD11  LEU  20          1HD1      LEU  20   9.970   2.507   0.789
  142   HD12  LEU  20          2HD1      LEU  20   9.655   2.976   2.459
  143   HD13  LEU  20          3HD1      LEU  20   9.581   4.182   1.176
  144   HD21  LEU  20          3HD2      LEU  20   8.245   3.394  -0.820
  145   HD22  LEU  20          1HD2      LEU  20   6.564   3.010  -0.451
  146   HD23  LEU  20          2HD2      LEU  20   7.753   1.717  -0.593
  147    H    THR  21           H        THR  21   8.272  -0.892   3.768
  148    HA   THR  21           HA       THR  21  10.739   0.067   4.933
  149    HB   THR  21           HB       THR  21   8.463  -0.969   5.895
  150    HG1  THR  21           1HG      THR  21   9.704  -0.102   7.375
  151   HG21  THR  21          3HG2      THR  21   8.556  -3.206   6.558
  152   HG22  THR  21          1HG2      THR  21  10.306  -3.299   6.357
  153   HG23  THR  21          2HG2      THR  21   9.255  -3.276   4.942
  154    H    LEU  22           H        LEU  22  10.024  -2.655   2.823
  155    HA   LEU  22           HA       LEU  22  12.729  -3.828   3.335
  156    HB2  LEU  22           2HB      LEU  22  10.113  -4.861   2.930
  157    HB3  LEU  22           1HB      LEU  22  11.069  -5.332   1.526
  158    HG   LEU  22           HG       LEU  22  12.450  -5.634   4.126
  159   HD11  LEU  22          1HD1      LEU  22  10.068  -7.356   3.378
  160   HD12  LEU  22          2HD1      LEU  22  10.224  -6.346   4.814
  161   HD13  LEU  22          3HD1      LEU  22  11.249  -7.767   4.622
  162   HD21  LEU  22          3HD2      LEU  22  13.449  -6.406   2.032
  163   HD22  LEU  22          1HD2      LEU  22  12.027  -7.387   1.681
  164   HD23  LEU  22          2HD2      LEU  22  13.073  -7.805   3.038
  165    H    SER  23           H        SER  23  10.692  -2.412   0.791
  166    HA   SER  23           HA       SER  23  11.227  -1.489  -1.282
  167    HB2  SER  23           2HB      SER  23  13.493  -1.180   0.304
  168    HB3  SER  23           1HB      SER  23  14.118  -1.946  -1.152
  169    HG   SER  23           HG       SER  23  14.025   0.333  -1.343
  170    HA   PRO  24           HA       PRO  24  11.882  -4.996  -3.905
  171    HB2  PRO  24           2HB      PRO  24  12.372  -3.777  -6.300
  172    HB3  PRO  24           1HB      PRO  24  10.782  -3.755  -5.515
  173    HG2  PRO  24           2HG      PRO  24  12.730  -1.601  -5.828
  174    HG3  PRO  24           1HG      PRO  24  10.993  -1.520  -5.515
  175    HD2  PRO  24           2HD      PRO  24  13.127  -1.192  -3.653
  176    HD3  PRO  24           1HD      PRO  24  11.379  -1.145  -3.338
  177    H    HIS  25           H        HIS  25  14.074  -5.051  -2.466
  178    HA   HIS  25           HA       HIS  25  16.375  -5.496  -2.356
  179    HB2  HIS  25           2HB      HIS  25  15.440  -6.353  -5.079
  180    HB3  HIS  25           1HB      HIS  25  17.157  -6.456  -4.703
  181    HD1  HIS  25           1HD      HIS  25  17.915  -8.328  -3.166
  182    HD2  HIS  25           2HD      HIS  25  13.764  -7.969  -3.312
  183    HE1  HIS  25           1HE      HIS  25  16.978 -10.333  -1.935
  184    H    TYR  26           H        TYR  26  15.862  -2.761  -2.658
  185    HA   TYR  26           HA       TYR  26  18.075  -1.873  -4.481
  186    HB2  TYR  26           2HB      TYR  26  15.616  -1.404  -5.111
  187    HB3  TYR  26           1HB      TYR  26  15.624  -0.262  -3.767
  188    HD1  TYR  26           2HD      TYR  26  17.251  -1.111  -6.999
  189    HD2  TYR  26           1HD      TYR  26  16.729   1.847  -3.928
  190    HE1  TYR  26           2HE      TYR  26  18.373   0.573  -8.430
  191    HE2  TYR  26           1HE      TYR  26  17.852   3.531  -5.361
  192    HH   TYR  26           HH       TYR  26  19.726   3.157  -7.504
  193    H    LYS  27           H        LYS  27  19.706  -0.917  -3.367
  194    HA   LYS  27           HA       LYS  27  20.928   0.142  -1.674
  195    HB2  LYS  27           2HB      LYS  27  19.159   1.838  -2.567
  196    HB3  LYS  27           1HB      LYS  27  18.361   1.583  -1.017
  197    HG2  LYS  27           2HG      LYS  27  19.776   3.467  -0.691
  198    HG3  LYS  27           1HG      LYS  27  20.614   2.117   0.072
  199    HD2  LYS  27           2HD      LYS  27  22.160   1.916  -1.715
  200    HD3  LYS  27           1HD      LYS  27  21.164   2.892  -2.794
  201    HE2  LYS  27           2HE      LYS  27  22.926   4.352  -2.102
  202    HE3  LYS  27           1HE      LYS  27  21.540   4.821  -1.100
  203    HZ1  LYS  27           3HZ      LYS  27  23.619   4.440   0.186
  204    HZ2  LYS  27           1HZ      LYS  27  23.572   2.810  -0.275
  205    HZ3  LYS  27           2HZ      LYS  27  22.323   3.459   0.678
  Start of MODEL   21
    1    H1   MET   1           1HT      MET   1  -8.589  -9.686  17.778
    2    H2   MET   1           2HT      MET   1  -8.799 -11.314  17.333
    3    H3   MET   1           3HT      MET   1 -10.094 -10.220  17.219
    4    HA   MET   1           HA       MET   1  -9.213  -9.124  15.379
    5    HB2  MET   1           2HB      MET   1  -6.848  -9.369  14.759
    6    HB3  MET   1           1HB      MET   1  -6.998  -8.857  16.436
    7    HG2  MET   1           2HG      MET   1  -6.938 -11.787  16.086
    8    HG3  MET   1           1HG      MET   1  -5.466 -10.971  15.566
    9    HE1  MET   1           2HE      MET   1  -4.479 -12.624  17.510
   10    HE2  MET   1           3HE      MET   1  -3.807 -11.610  18.783
   11    HE3  MET   1           1HE      MET   1  -3.641 -11.136  17.084
   12    H    ASP   2           H        ASP   2 -10.626 -11.691  15.726
   13    HA   ASP   2           HA       ASP   2  -9.483 -13.495  13.670
   14    HB2  ASP   2           2HB      ASP   2 -10.571 -14.216  15.857
   15    HB3  ASP   2           1HB      ASP   2 -12.108 -13.677  15.179
   16    H    ARG   3           H        ARG   3 -12.460 -11.560  14.180
   17    HA   ARG   3           HA       ARG   3 -13.116 -11.826  11.275
   18    HB2  ARG   3           2HB      ARG   3 -14.703 -12.399  13.223
   19    HB3  ARG   3           1HB      ARG   3 -14.816 -10.658  13.484
   20    HG2  ARG   3           2HG      ARG   3 -16.621 -11.066  12.052
   21    HG3  ARG   3           1HG      ARG   3 -15.360 -10.550  10.933
   22    HD2  ARG   3           2HD      ARG   3 -14.827 -13.189  10.932
   23    HD3  ARG   3           1HD      ARG   3 -16.560 -13.259  11.309
   24    HE   ARG   3           HE       ARG   3 -16.471 -11.423   9.256
   25   HH11  ARG   3          1HH2      ARG   3 -13.942 -12.839   8.399
   26   HH12  ARG   3          2HH2      ARG   3 -14.558 -14.029   7.304
   27   HH21  ARG   3          1HH1      ARG   3 -17.845 -13.718   8.426
   28   HH22  ARG   3          2HH1      ARG   3 -16.793 -14.533   7.321
   29    H    GLU   4           H        GLU   4 -11.835  -9.537  13.553
   30    HA   GLU   4           HA       GLU   4 -12.775  -7.091  12.310
   31    HB2  GLU   4           2HB      GLU   4 -10.341  -7.614  14.045
   32    HB3  GLU   4           1HB      GLU   4 -11.104  -6.052  13.769
   33    HG2  GLU   4           2HG      GLU   4 -12.397  -6.456  15.569
   34    HG3  GLU   4           1HG      GLU   4 -13.190  -7.727  14.639
   35    H    MET   5           H        MET   5  -9.649  -8.859  12.143
   36    HA   MET   5           HA       MET   5  -8.527  -7.049  10.147
   37    HB2  MET   5           2HB      MET   5  -7.479  -8.699  11.973
   38    HB3  MET   5           1HB      MET   5  -7.470  -9.807  10.602
   39    HG2  MET   5           2HG      MET   5  -6.484  -7.517   9.456
   40    HG3  MET   5           1HG      MET   5  -5.827  -7.406  11.089
   41    HE1  MET   5           3HE      MET   5  -5.220 -10.579  11.949
   42    HE2  MET   5           1HE      MET   5  -4.608  -8.945  12.261
   43    HE3  MET   5           2HE      MET   5  -3.533 -10.188  11.630
   44    H    ALA   6           H        ALA   6  -9.833 -10.386  10.041
   45    HA   ALA   6           HA       ALA   6 -10.541 -11.733   8.257
   46    HB1  ALA   6           1HB      ALA   6 -11.151  -9.027   7.040
   47    HB2  ALA   6           2HB      ALA   6 -12.145  -9.806   8.272
   48    HB3  ALA   6           3HB      ALA   6 -11.960 -10.555   6.686
   49    H    ALA   7           H        ALA   7  -7.701 -11.022   8.215
   50    HA   ALA   7           HA       ALA   7  -5.819 -11.106   6.831
   51    HB1  ALA   7           1HB      ALA   7  -7.765 -12.469   4.963
   52    HB2  ALA   7           2HB      ALA   7  -7.087 -13.236   6.402
   53    HB3  ALA   7           3HB      ALA   7  -6.027 -12.738   5.083
   54    H    SER   8           H        SER   8  -7.108  -8.616   6.608
   55    HA   SER   8           HA       SER   8  -7.266  -7.945   3.719
   56    HB2  SER   8           2HB      SER   8  -8.913  -7.114   5.408
   57    HB3  SER   8           1HB      SER   8  -7.609  -6.247   6.208
   58    HG   SER   8           HG       SER   8  -8.557  -5.902   3.542
   59    H    ALA   9           H        ALA   9  -4.737  -8.264   5.908
   60    HA   ALA   9           HA       ALA   9  -2.559  -7.404   6.044
   61    HB1  ALA   9           1HB      ALA   9  -3.168  -6.593   3.182
   62    HB2  ALA   9           2HB      ALA   9  -2.761  -8.239   3.665
   63    HB3  ALA   9           3HB      ALA   9  -1.581  -6.944   3.868
   64    H    GLY  10           H        GLY  10  -4.184  -5.734   7.331
   65    HA2  GLY  10           2HA      GLY  10  -4.113  -3.504   8.157
   66    HA3  GLY  10           1HA      GLY  10  -3.070  -3.065   6.801
   67    H    GLY  11           H        GLY  11  -4.264  -3.383   4.602
   68    HA2  GLY  11           2HA      GLY  11  -6.824  -3.317   3.893
   69    HA3  GLY  11           1HA      GLY  11  -6.730  -1.759   4.722
   70    H    ALA  12           H        ALA  12  -4.466  -3.464   2.550
   71    HA   ALA  12           HA       ALA  12  -3.559  -2.902   0.466
   72    HB1  ALA  12           1HB      ALA  12  -4.760  -1.482  -0.946
   73    HB2  ALA  12           2HB      ALA  12  -5.236  -0.407   0.366
   74    HB3  ALA  12           3HB      ALA  12  -6.013  -1.982   0.189
   75    H    VAL  13           H        VAL  13  -4.152  -0.056   2.537
   76    HA   VAL  13           HA       VAL  13  -1.917   1.538   1.774
   77    HB   VAL  13           HB       VAL  13  -3.294   1.256   4.474
   78   HG11  VAL  13          1HG1      VAL  13  -1.802   3.603   3.254
   79   HG12  VAL  13          2HG1      VAL  13  -1.191   2.569   4.545
   80   HG13  VAL  13          3HG1      VAL  13  -2.603   3.587   4.825
   81   HG21  VAL  13          3HG2      VAL  13  -3.996   2.786   1.961
   82   HG22  VAL  13          1HG2      VAL  13  -4.566   3.318   3.542
   83   HG23  VAL  13          2HG2      VAL  13  -5.028   1.731   2.928
   84    H    PHE  14           H        PHE  14  -2.268  -0.890   4.371
   85    HA   PHE  14           HA       PHE  14   0.405  -0.687   5.411
   86    HB2  PHE  14           2HB      PHE  14  -1.773  -1.680   6.397
   87    HB3  PHE  14           1HB      PHE  14  -1.361  -3.130   5.489
   88    HD1  PHE  14           1HD      PHE  14   0.123  -0.685   7.917
   89    HD2  PHE  14           2HD      PHE  14   0.114  -4.706   6.407
   90    HE1  PHE  14           1HE      PHE  14   1.722  -1.354   9.689
   91    HE2  PHE  14           2HE      PHE  14   1.712  -5.375   8.179
   92    HZ   PHE  14           HZ       PHE  14   2.518  -3.699   9.821
   93    H    VAL  15           H        VAL  15  -1.027  -2.711   2.836
   94    HA   VAL  15           HA       VAL  15   1.114  -4.558   2.469
   95    HB   VAL  15           HB       VAL  15  -0.864  -3.316   0.516
   96   HG11  VAL  15          1HG1      VAL  15   1.002  -5.686   0.214
   97   HG12  VAL  15          2HG1      VAL  15   0.906  -4.254  -0.812
   98   HG13  VAL  15          3HG1      VAL  15  -0.407  -5.430  -0.815
   99   HG21  VAL  15          3HG2      VAL  15  -2.232  -5.220   0.953
  100   HG22  VAL  15          1HG2      VAL  15  -1.687  -4.679   2.540
  101   HG23  VAL  15          2HG2      VAL  15  -0.922  -6.070   1.773
  102    H    GLY  16           H        GLY  16   0.542  -1.345   0.976
  103    HA2  GLY  16           2HA      GLY  16   2.996  -1.310  -0.543
  104    HA3  GLY  16           1HA      GLY  16   2.000   0.100  -0.168
  105    H    LEU  17           H        LEU  17   2.058  -0.171   2.695
  106    HA   LEU  17           HA       LEU  17   4.463   1.246   3.365
  107    HB2  LEU  17           2HB      LEU  17   1.992   0.448   4.571
  108    HB3  LEU  17           1HB      LEU  17   3.293  -0.025   5.659
  109    HG   LEU  17           HG       LEU  17   3.871   2.595   4.640
  110   HD11  LEU  17          1HD1      LEU  17   1.100   2.237   5.815
  111   HD12  LEU  17          2HD1      LEU  17   1.492   2.864   4.214
  112   HD13  LEU  17          3HD1      LEU  17   1.919   3.790   5.653
  113   HD21  LEU  17          3HD2      LEU  17   4.726   1.762   6.749
  114   HD22  LEU  17          1HD2      LEU  17   3.093   1.501   7.361
  115   HD23  LEU  17          2HD2      LEU  17   3.685   3.141   7.098
  116    H    VAL  18           H        VAL  18   3.492  -2.168   3.852
  117    HA   VAL  18           HA       VAL  18   5.798  -3.067   5.286
  118    HB   VAL  18           HB       VAL  18   3.798  -4.373   3.415
  119   HG11  VAL  18          1HG1      VAL  18   4.685  -6.546   4.525
  120   HG12  VAL  18          2HG1      VAL  18   6.144  -5.611   4.856
  121   HG13  VAL  18          3HG1      VAL  18   5.615  -5.862   3.191
  122   HG21  VAL  18          3HG2      VAL  18   4.202  -4.771   6.387
  123   HG22  VAL  18          1HG2      VAL  18   2.785  -5.176   5.418
  124   HG23  VAL  18          2HG2      VAL  18   3.177  -3.489   5.745
  125    H    LEU  19           H        LEU  19   5.138  -2.808   1.792
  126    HA   LEU  19           HA       LEU  19   7.549  -4.010   0.804
  127    HB2  LEU  19           2HB      LEU  19   5.366  -3.446  -0.392
  128    HB3  LEU  19           1HB      LEU  19   5.925  -1.776  -0.445
  129    HG   LEU  19           HG       LEU  19   8.004  -3.590  -1.360
  130   HD11  LEU  19          1HD1      LEU  19   5.433  -3.575  -2.970
  131   HD12  LEU  19          2HD1      LEU  19   5.984  -4.944  -2.003
  132   HD13  LEU  19          3HD1      LEU  19   6.938  -4.397  -3.382
  133   HD21  LEU  19          3HD2      LEU  19   6.457  -1.452  -2.858
  134   HD22  LEU  19          1HD2      LEU  19   8.090  -2.026  -3.199
  135   HD23  LEU  19          2HD2      LEU  19   7.770  -1.094  -1.736
  136    H    LEU  20           H        LEU  20   6.715  -0.609   1.572
  137    HA   LEU  20           HA       LEU  20   9.130   0.641   0.718
  138    HB2  LEU  20           2HB      LEU  20   6.839   1.580   1.519
  139    HB3  LEU  20           1HB      LEU  20   7.527   1.475   3.137
  140    HG   LEU  20           HG       LEU  20   9.165   2.795   1.008
  141   HD11  LEU  20          1HD1      LEU  20   8.027   4.916   1.311
  142   HD12  LEU  20          2HD1      LEU  20   6.911   4.198   2.472
  143   HD13  LEU  20          3HD1      LEU  20   6.847   3.720   0.775
  144   HD21  LEU  20          3HD2      LEU  20   9.555   4.306   3.100
  145   HD22  LEU  20          1HD2      LEU  20  10.243   2.683   3.106
  146   HD23  LEU  20          2HD2      LEU  20   8.755   3.011   3.993
  147    H    THR  21           H        THR  21   8.232  -0.701   3.917
  148    HA   THR  21           HA       THR  21  10.688  -0.075   5.270
  149    HB   THR  21           HB       THR  21   8.714  -2.335   5.754
  150    HG1  THR  21           1HG      THR  21   7.397  -0.817   6.330
  151   HG21  THR  21          3HG2      THR  21   9.454  -1.712   8.191
  152   HG22  THR  21          1HG2      THR  21  10.877  -1.044   7.390
  153   HG23  THR  21          2HG2      THR  21  10.486  -2.754   7.212
  154    H    LEU  22           H        LEU  22   9.692  -2.836   3.263
  155    HA   LEU  22           HA       LEU  22  11.874  -4.603   3.851
  156    HB2  LEU  22           2HB      LEU  22   9.661  -4.352   1.969
  157    HB3  LEU  22           1HB      LEU  22  11.095  -4.983   1.170
  158    HG   LEU  22           HG       LEU  22   9.745  -6.819   2.051
  159   HD11  LEU  22          1HD1      LEU  22  11.473  -8.025   3.115
  160   HD12  LEU  22          2HD1      LEU  22  12.137  -6.579   3.873
  161   HD13  LEU  22          3HD1      LEU  22  12.319  -6.827   2.137
  162   HD21  LEU  22          3HD2      LEU  22   9.768  -6.962   4.682
  163   HD22  LEU  22          1HD2      LEU  22   8.529  -6.007   3.871
  164   HD23  LEU  22          2HD2      LEU  22   9.930  -5.209   4.587
  165    H    SER  23           H        SER  23  11.530  -1.878   1.600
  166    HA   SER  23           HA       SER  23  14.109  -2.341   0.274
  167    HB2  SER  23           2HB      SER  23  12.219   0.040   0.276
  168    HB3  SER  23           1HB      SER  23  13.513  -0.249  -0.879
  169    HG   SER  23           HG       SER  23  11.553  -0.981  -1.730
  170    HA   PRO  24           HA       PRO  24  16.171  -0.245   3.711
  171    HB2  PRO  24           2HB      PRO  24  18.716  -0.498   2.750
  172    HB3  PRO  24           1HB      PRO  24  17.843  -1.820   3.552
  173    HG2  PRO  24           2HG      PRO  24  18.273  -1.333   0.651
  174    HG3  PRO  24           1HG      PRO  24  18.304  -2.854   1.559
  175    HD2  PRO  24           2HD      PRO  24  16.188  -2.083   0.050
  176    HD3  PRO  24           1HD      PRO  24  16.031  -3.097   1.501
  177    H    HIS  25           H        HIS  25  16.500   1.937   3.943
  178    HA   HIS  25           HA       HIS  25  17.567   3.546   1.667
  179    HB2  HIS  25           2HB      HIS  25  14.911   3.254   2.022
  180    HB3  HIS  25           1HB      HIS  25  15.188   4.592   3.133
  181    HD1  HIS  25           1HD      HIS  25  14.271   4.075  -0.224
  182    HD2  HIS  25           2HD      HIS  25  17.009   6.637   1.605
  183    HE1  HIS  25           1HE      HIS  25  14.715   5.947  -1.873
  184    H    TYR  26           H        TYR  26  19.307   3.207   3.585
  185    HA   TYR  26           HA       TYR  26  18.935   5.295   5.698
  186    HB2  TYR  26           2HB      TYR  26  20.650   2.835   5.369
  187    HB3  TYR  26           1HB      TYR  26  21.052   4.053   6.577
  188    HD1  TYR  26           2HD      TYR  26  19.424   4.602   8.399
  189    HD2  TYR  26           1HD      TYR  26  18.774   1.363   5.652
  190    HE1  TYR  26           2HE      TYR  26  17.715   3.649   9.925
  191    HE2  TYR  26           1HE      TYR  26  17.068   0.412   7.176
  192    HH   TYR  26           HH       TYR  26  16.786   0.945  10.183
  193    H    LYS  27           H        LYS  27  19.325   6.859   3.758
  194    HA   LYS  27           HA       LYS  27  22.103   7.788   3.882
  195    HB2  LYS  27           2HB      LYS  27  22.501   7.589   1.456
  196    HB3  LYS  27           1HB      LYS  27  22.221   6.011   2.183
  197    HG2  LYS  27           2HG      LYS  27  20.721   5.735   0.501
  198    HG3  LYS  27           1HG      LYS  27  19.669   6.745   1.490
  199    HD2  LYS  27           2HD      LYS  27  21.029   8.696   0.251
  200    HD3  LYS  27           1HD      LYS  27  21.194   7.441  -0.978
  201    HE2  LYS  27           2HE      LYS  27  19.149   8.224  -1.673
  202    HE3  LYS  27           1HE      LYS  27  18.535   7.197  -0.363
  203    HZ1  LYS  27           3HZ      LYS  27  17.726   9.472  -0.133
  204    HZ2  LYS  27           1HZ      LYS  27  19.316  10.055  -0.086
  205    HZ3  LYS  27           2HZ      LYS  27  18.743   9.061   1.168
  Start of MODEL   22
    1    H1   MET   1           1HT      MET   1 -12.631  -9.721 -13.084
    2    H2   MET   1           2HT      MET   1 -11.937 -10.035 -11.563
    3    H3   MET   1           3HT      MET   1 -11.911 -11.224 -12.775
    4    HA   MET   1           HA       MET   1 -10.404  -9.917 -14.116
    5    HB2  MET   1           2HB      MET   1 -11.560  -7.881 -12.466
    6    HB3  MET   1           1HB      MET   1  -9.814  -7.828 -12.245
    7    HG2  MET   1           2HG      MET   1 -10.254  -6.414 -14.105
    8    HG3  MET   1           1HG      MET   1  -9.631  -7.910 -14.797
    9    HE1  MET   1           2HE      MET   1 -12.995  -5.803 -16.349
   10    HE2  MET   1           3HE      MET   1 -11.333  -5.449 -15.888
   11    HE3  MET   1           1HE      MET   1 -12.625  -5.412 -14.674
   12    H    ASP   2           H        ASP   2  -8.018  -9.393 -13.395
   13    HA   ASP   2           HA       ASP   2  -7.283 -11.315 -11.221
   14    HB2  ASP   2           2HB      ASP   2  -6.472 -11.777 -13.500
   15    HB3  ASP   2           1HB      ASP   2  -5.727 -10.179 -13.569
   16    H    ARG   3           H        ARG   3  -5.790 -10.672  -9.622
   17    HA   ARG   3           HA       ARG   3  -4.760  -9.248  -8.087
   18    HB2  ARG   3           2HB      ARG   3  -4.226  -8.015 -10.776
   19    HB3  ARG   3           1HB      ARG   3  -3.682  -7.185  -9.319
   20    HG2  ARG   3           2HG      ARG   3  -2.286  -8.982  -8.671
   21    HG3  ARG   3           1HG      ARG   3  -3.088 -10.108  -9.764
   22    HD2  ARG   3           2HD      ARG   3  -1.028  -9.574 -10.846
   23    HD3  ARG   3           1HD      ARG   3  -2.239  -8.577 -11.675
   24    HE   ARG   3           HE       ARG   3  -1.432  -6.640 -10.479
   25   HH11  ARG   3          1HH2      ARG   3  -0.787  -7.810  -7.845
   26   HH12  ARG   3          2HH2      ARG   3   0.944  -7.810  -7.826
   27   HH21  ARG   3          1HH1      ARG   3   1.221  -7.400 -11.278
   28   HH22  ARG   3          2HH1      ARG   3   2.095  -7.575  -9.795
   29    H    GLU   4           H        GLU   4  -5.618  -6.374  -9.936
   30    HA   GLU   4           HA       GLU   4  -7.003  -4.559  -9.432
   31    HB2  GLU   4           2HB      GLU   4  -8.505  -6.785  -9.723
   32    HB3  GLU   4           1HB      GLU   4  -8.970  -6.324  -8.087
   33    HG2  GLU   4           2HG      GLU   4 -10.198  -4.587  -8.832
   34    HG3  GLU   4           1HG      GLU   4  -8.882  -4.008  -9.854
   35    H    MET   5           H        MET   5  -5.171  -5.766  -7.153
   36    HA   MET   5           HA       MET   5  -5.828  -3.804  -5.134
   37    HB2  MET   5           2HB      MET   5  -7.623  -5.462  -4.727
   38    HB3  MET   5           1HB      MET   5  -6.416  -6.732  -4.554
   39    HG2  MET   5           2HG      MET   5  -6.362  -6.241  -2.353
   40    HG3  MET   5           1HG      MET   5  -5.570  -4.729  -2.788
   41    HE1  MET   5           3HE      MET   5  -6.526  -2.524  -2.884
   42    HE2  MET   5           1HE      MET   5  -8.245  -2.097  -2.877
   43    HE3  MET   5           2HE      MET   5  -7.554  -2.969  -4.240
   44    H    ALA   6           H        ALA   6  -4.441  -7.116  -5.233
   45    HA   ALA   6           HA       ALA   6  -2.325  -7.948  -4.685
   46    HB1  ALA   6           1HB      ALA   6  -1.300  -5.189  -5.346
   47    HB2  ALA   6           2HB      ALA   6  -1.965  -6.238  -6.598
   48    HB3  ALA   6           3HB      ALA   6  -0.550  -6.751  -5.676
   49    H    ALA   7           H        ALA   7  -3.915  -6.708  -2.532
   50    HA   ALA   7           HA       ALA   7  -1.749  -6.343  -0.558
   51    HB1  ALA   7           1HB      ALA   7  -2.058  -4.083  -1.280
   52    HB2  ALA   7           2HB      ALA   7  -2.960  -4.216   0.228
   53    HB3  ALA   7           3HB      ALA   7  -3.811  -4.257  -1.316
   54    H    SER   8           H        SER   8  -5.221  -5.515  -0.440
   55    HA   SER   8           HA       SER   8  -6.991  -6.320   0.830
   56    HB2  SER   8           2HB      SER   8  -5.417  -8.849   0.309
   57    HB3  SER   8           1HB      SER   8  -7.033  -8.835   1.000
   58    HG   SER   8           HG       SER   8  -6.323  -8.668  -1.558
   59    H    ALA   9           H        ALA   9  -4.532  -8.532   2.189
   60    HA   ALA   9           HA       ALA   9  -5.310  -8.485   4.855
   61    HB1  ALA   9           1HB      ALA   9  -2.621  -8.767   3.519
   62    HB2  ALA   9           2HB      ALA   9  -3.700 -10.043   4.084
   63    HB3  ALA   9           3HB      ALA   9  -2.840  -9.035   5.248
   64    H    GLY  10           H        GLY  10  -3.065  -6.142   3.311
   65    HA2  GLY  10           2HA      GLY  10  -2.772  -4.693   5.875
   66    HA3  GLY  10           1HA      GLY  10  -1.941  -4.309   4.370
   67    H    GLY  11           H        GLY  11  -5.465  -4.750   4.652
   68    HA2  GLY  11           2HA      GLY  11  -7.202  -3.288   4.115
   69    HA3  GLY  11           1HA      GLY  11  -6.271  -2.091   5.014
   70    H    ALA  12           H        ALA  12  -5.003  -3.635   2.102
   71    HA   ALA  12           HA       ALA  12  -4.285  -2.727   0.063
   72    HB1  ALA  12           1HB      ALA  12  -6.862  -2.647   0.028
   73    HB2  ALA  12           2HB      ALA  12  -6.018  -1.620  -1.131
   74    HB3  ALA  12           3HB      ALA  12  -6.693  -0.920   0.340
   75    H    VAL  13           H        VAL  13  -3.445  -1.410   2.632
   76    HA   VAL  13           HA       VAL  13  -2.394   1.138   1.488
   77    HB   VAL  13           HB       VAL  13  -3.889   0.701   4.103
   78   HG11  VAL  13          1HG1      VAL  13  -2.099   2.104   4.756
   79   HG12  VAL  13          2HG1      VAL  13  -3.399   3.233   4.379
   80   HG13  VAL  13          3HG1      VAL  13  -2.097   2.968   3.219
   81   HG21  VAL  13          3HG2      VAL  13  -5.374   1.173   2.253
   82   HG22  VAL  13          1HG2      VAL  13  -4.344   2.490   1.694
   83   HG23  VAL  13          2HG2      VAL  13  -5.238   2.649   3.207
   84    H    PHE  14           H        PHE  14  -2.428  -0.781   4.510
   85    HA   PHE  14           HA       PHE  14   0.227  -0.338   5.368
   86    HB2  PHE  14           2HB      PHE  14  -1.629  -1.358   6.671
   87    HB3  PHE  14           1HB      PHE  14  -1.527  -2.799   5.664
   88    HD1  PHE  14           1HD      PHE  14   0.867  -0.583   7.553
   89    HD2  PHE  14           2HD      PHE  14  -0.361  -4.586   6.583
   90    HE1  PHE  14           1HE      PHE  14   2.668  -1.487   8.996
   91    HE2  PHE  14           2HE      PHE  14   1.438  -5.487   8.029
   92    HZ   PHE  14           HZ       PHE  14   2.954  -3.938   9.236
   93    H    VAL  15           H        VAL  15  -1.032  -2.653   2.972
   94    HA   VAL  15           HA       VAL  15   1.216  -4.368   2.701
   95    HB   VAL  15           HB       VAL  15  -0.990  -3.383   0.867
   96   HG11  VAL  15          1HG1      VAL  15  -0.204  -5.392  -0.601
   97   HG12  VAL  15          2HG1      VAL  15   1.355  -5.165   0.187
   98   HG13  VAL  15          3HG1      VAL  15   0.650  -3.859  -0.765
   99   HG21  VAL  15          3HG2      VAL  15  -2.082  -5.190   1.673
  100   HG22  VAL  15          1HG2      VAL  15  -0.815  -5.292   2.895
  101   HG23  VAL  15          2HG2      VAL  15  -0.692  -6.242   1.415
  102    H    GLY  16           H        GLY  16   0.540  -1.208   1.143
  103    HA2  GLY  16           2HA      GLY  16   2.919  -1.120  -0.463
  104    HA3  GLY  16           1HA      GLY  16   1.959   0.284   0.013
  105    H    LEU  17           H        LEU  17   2.159  -0.000   2.838
  106    HA   LEU  17           HA       LEU  17   4.653   1.317   3.398
  107    HB2  LEU  17           2HB      LEU  17   2.415   0.087   4.990
  108    HB3  LEU  17           1HB      LEU  17   3.876   0.605   5.825
  109    HG   LEU  17           HG       LEU  17   3.311   2.747   4.140
  110   HD11  LEU  17          1HD1      LEU  17   0.751   1.608   5.297
  111   HD12  LEU  17          2HD1      LEU  17   1.111   1.895   3.594
  112   HD13  LEU  17          3HD1      LEU  17   0.918   3.257   4.695
  113   HD21  LEU  17          3HD2      LEU  17   2.719   3.900   6.230
  114   HD22  LEU  17          1HD2      LEU  17   4.084   2.820   6.500
  115   HD23  LEU  17          2HD2      LEU  17   2.469   2.350   7.032
  116    H    VAL  18           H        VAL  18   3.579  -2.071   3.838
  117    HA   VAL  18           HA       VAL  18   5.893  -3.072   5.195
  118    HB   VAL  18           HB       VAL  18   3.909  -4.355   3.279
  119   HG11  VAL  18          1HG1      VAL  18   5.764  -5.738   5.243
  120   HG12  VAL  18          2HG1      VAL  18   6.024  -5.689   3.499
  121   HG13  VAL  18          3HG1      VAL  18   4.611  -6.512   4.156
  122   HG21  VAL  18          3HG2      VAL  18   3.429  -3.290   5.741
  123   HG22  VAL  18          1HG2      VAL  18   3.891  -4.932   6.190
  124   HG23  VAL  18          2HG2      VAL  18   2.543  -4.664   5.085
  125    H    LEU  19           H        LEU  19   5.159  -2.699   1.718
  126    HA   LEU  19           HA       LEU  19   7.521  -3.948   0.668
  127    HB2  LEU  19           2HB      LEU  19   5.326  -2.190  -0.240
  128    HB3  LEU  19           1HB      LEU  19   6.822  -1.979  -1.140
  129    HG   LEU  19           HG       LEU  19   5.432  -3.664  -2.225
  130   HD11  LEU  19          1HD1      LEU  19   8.049  -3.928  -1.819
  131   HD12  LEU  19          2HD1      LEU  19   7.115  -5.183  -2.630
  132   HD13  LEU  19          3HD1      LEU  19   7.523  -5.354  -0.924
  133   HD21  LEU  19          3HD2      LEU  19   4.894  -5.785  -1.050
  134   HD22  LEU  19          1HD2      LEU  19   4.136  -4.396  -0.275
  135   HD23  LEU  19          2HD2      LEU  19   5.577  -5.123   0.434
  136    H    LEU  20           H        LEU  20   6.803  -0.589   1.634
  137    HA   LEU  20           HA       LEU  20   9.265   0.628   0.805
  138    HB2  LEU  20           2HB      LEU  20   7.056   1.696   1.486
  139    HB3  LEU  20           1HB      LEU  20   7.504   1.374   3.159
  140    HG   LEU  20           HG       LEU  20   9.629   2.693   1.604
  141   HD11  LEU  20          1HD1      LEU  20   8.561   4.880   1.526
  142   HD12  LEU  20          2HD1      LEU  20   7.084   4.223   2.229
  143   HD13  LEU  20          3HD1      LEU  20   7.583   3.735   0.608
  144   HD21  LEU  20          3HD2      LEU  20   9.791   4.025   3.639
  145   HD22  LEU  20          1HD2      LEU  20   9.594   2.331   4.089
  146   HD23  LEU  20          2HD2      LEU  20   8.222   3.436   4.192
  147    H    THR  21           H        THR  21   8.316  -1.034   3.814
  148    HA   THR  21           HA       THR  21  10.679  -0.388   5.342
  149    HB   THR  21           HB       THR  21   8.766  -2.743   5.529
  150    HG1  THR  21           1HG      THR  21   7.408  -1.352   6.306
  151   HG21  THR  21          3HG2      THR  21  10.940  -1.689   7.277
  152   HG22  THR  21          1HG2      THR  21  10.399  -3.349   7.028
  153   HG23  THR  21          2HG2      THR  21   9.470  -2.265   8.062
  154    H    LEU  22           H        LEU  22   9.895  -2.967   3.026
  155    HA   LEU  22           HA       LEU  22  12.288  -4.543   3.617
  156    HB2  LEU  22           2HB      LEU  22   9.874  -5.079   2.527
  157    HB3  LEU  22           1HB      LEU  22  10.801  -4.834   1.048
  158    HG   LEU  22           HG       LEU  22  11.830  -6.623   3.251
  159   HD11  LEU  22          1HD1      LEU  22  10.042  -7.415   0.930
  160   HD12  LEU  22          2HD1      LEU  22   9.576  -7.420   2.631
  161   HD13  LEU  22          3HD1      LEU  22  10.822  -8.527   2.057
  162   HD21  LEU  22          3HD2      LEU  22  12.879  -7.704   1.164
  163   HD22  LEU  22          1HD2      LEU  22  13.490  -6.112   1.612
  164   HD23  LEU  22          2HD2      LEU  22  12.340  -6.273   0.286
  165    H    SER  23           H        SER  23  11.275  -2.862   0.588
  166    HA   SER  23           HA       SER  23  13.866  -1.548   0.288
  167    HB2  SER  23           2HB      SER  23  14.324  -2.935  -1.856
  168    HB3  SER  23           1HB      SER  23  14.666  -3.679  -0.303
  169    HG   SER  23           HG       SER  23  13.009  -4.497  -2.223
  170    HA   PRO  24           HA       PRO  24  10.578   0.434  -2.193
  171    HB2  PRO  24           2HB      PRO  24  11.085   2.983  -1.362
  172    HB3  PRO  24           1HB      PRO  24  10.075   1.850  -0.447
  173    HG2  PRO  24           2HG      PRO  24  12.786   2.805   0.110
  174    HG3  PRO  24           1HG      PRO  24  11.572   2.143   1.209
  175    HD2  PRO  24           2HD      PRO  24  13.837   0.819   0.137
  176    HD3  PRO  24           1HD      PRO  24  12.550   0.122   1.143
  177    H    HIS  25           H        HIS  25  11.661   0.053  -4.205
  178    HA   HIS  25           HA       HIS  25  13.876   1.940  -4.935
  179    HB2  HIS  25           2HB      HIS  25  13.025  -0.781  -5.957
  180    HB3  HIS  25           1HB      HIS  25  14.256   0.202  -6.749
  181    HD1  HIS  25           1HD      HIS  25  16.361   0.888  -5.163
  182    HD2  HIS  25           2HD      HIS  25  13.970  -2.243  -3.799
  183    HE1  HIS  25           1HE      HIS  25  17.705  -0.316  -3.387
  184    H    TYR  26           H        TYR  26  10.717   0.679  -6.027
  185    HA   TYR  26           HA       TYR  26  10.665   2.096  -8.543
  186    HB2  TYR  26           2HB      TYR  26   9.197   0.131  -7.323
  187    HB3  TYR  26           1HB      TYR  26   8.105   1.508  -7.181
  188    HD1  TYR  26           2HD      TYR  26   7.426   2.784  -9.237
  189    HD2  TYR  26           1HD      TYR  26   9.631  -0.899  -9.436
  190    HE1  TYR  26           2HE      TYR  26   6.815   2.548 -11.626
  191    HE2  TYR  26           1HE      TYR  26   9.018  -1.135 -11.827
  192    HH   TYR  26           HH       TYR  26   7.984   1.252 -13.703
  193    H    LYS  27           H        LYS  27   9.650   4.080  -9.057
  194    HA   LYS  27           HA       LYS  27   8.914   5.836  -6.735
  195    HB2  LYS  27           2HB      LYS  27  10.652   6.218  -9.149
  196    HB3  LYS  27           1HB      LYS  27   9.804   7.616  -8.492
  197    HG2  LYS  27           2HG      LYS  27  11.412   5.793  -6.704
  198    HG3  LYS  27           1HG      LYS  27  12.179   7.114  -7.586
  199    HD2  LYS  27           2HD      LYS  27  10.004   8.386  -6.509
  200    HD3  LYS  27           1HD      LYS  27  10.379   7.211  -5.249
  201    HE2  LYS  27           2HE      LYS  27  12.589   8.059  -4.957
  202    HE3  LYS  27           1HE      LYS  27  12.516   8.981  -6.472
  203    HZ1  LYS  27           3HZ      LYS  27  10.671   9.430  -4.184
  204    HZ2  LYS  27           1HZ      LYS  27  10.819  10.376  -5.584
  205    HZ3  LYS  27           2HZ      LYS  27  12.082  10.340  -4.448
  Start of MODEL   23
    1    H1   MET   1           1HT      MET   1  -8.873  -7.525  -9.490
    2    H2   MET   1           2HT      MET   1  -9.289  -8.722 -10.619
    3    H3   MET   1           3HT      MET   1  -7.825  -7.879 -10.778
    4    HA   MET   1           HA       MET   1  -7.740 -10.243  -9.819
    5    HB2  MET   1           2HB      MET   1  -5.843  -9.559  -8.461
    6    HB3  MET   1           1HB      MET   1  -5.934  -8.503  -9.864
    7    HG2  MET   1           2HG      MET   1  -6.994  -6.752  -8.521
    8    HG3  MET   1           1HG      MET   1  -7.031  -7.819  -7.117
    9    HE1  MET   1           2HE      MET   1  -3.553  -5.490  -8.897
   10    HE2  MET   1           3HE      MET   1  -5.270  -5.101  -8.894
   11    HE3  MET   1           1HE      MET   1  -4.658  -6.435  -9.889
   12    H    ASP   2           H        ASP   2  -7.279 -10.869  -7.276
   13    HA   ASP   2           HA       ASP   2  -9.927 -10.842  -6.027
   14    HB2  ASP   2           2HB      ASP   2  -9.004 -12.507  -4.617
   15    HB3  ASP   2           1HB      ASP   2  -8.194 -12.749  -6.160
   16    H    ARG   3           H        ARG   3 -10.234 -10.195  -3.742
   17    HA   ARG   3           HA       ARG   3 -10.251  -8.544  -2.073
   18    HB2  ARG   3           2HB      ARG   3  -8.096  -9.929  -1.792
   19    HB3  ARG   3           1HB      ARG   3  -7.260  -8.531  -2.470
   20    HG2  ARG   3           2HG      ARG   3  -8.391  -7.118  -0.689
   21    HG3  ARG   3           1HG      ARG   3  -8.926  -8.625   0.058
   22    HD2  ARG   3           2HD      ARG   3  -6.010  -8.220  -0.610
   23    HD3  ARG   3           1HD      ARG   3  -6.688  -7.592   0.906
   24    HE   ARG   3           HE       ARG   3  -6.861 -10.475   0.107
   25   HH11  ARG   3          1HH1      ARG   3  -8.745  -9.733   2.234
   26   HH12  ARG   3          2HH1      ARG   3  -7.833  -9.983   3.684
   27   HH21  ARG   3          1HH2      ARG   3  -4.761 -10.020   2.030
   28   HH22  ARG   3          2HH2      ARG   3  -5.548 -10.147   3.567
   29    H    GLU   4           H        GLU   4 -10.822  -7.411  -4.554
   30    HA   GLU   4           HA       GLU   4  -9.106  -5.040  -4.973
   31    HB2  GLU   4           2HB      GLU   4 -10.154  -6.403  -6.805
   32    HB3  GLU   4           1HB      GLU   4 -11.736  -5.864  -6.243
   33    HG2  GLU   4           2HG      GLU   4 -10.135  -3.533  -6.495
   34    HG3  GLU   4           1HG      GLU   4  -9.880  -4.486  -7.958
   35    H    MET   5           H        MET   5 -12.376  -5.806  -3.768
   36    HA   MET   5           HA       MET   5 -12.734  -2.962  -2.923
   37    HB2  MET   5           2HB      MET   5 -14.347  -4.439  -4.417
   38    HB3  MET   5           1HB      MET   5 -14.885  -5.049  -2.851
   39    HG2  MET   5           2HG      MET   5 -15.634  -2.937  -2.143
   40    HG3  MET   5           1HG      MET   5 -14.654  -2.085  -3.336
   41    HE1  MET   5           3HE      MET   5 -16.183  -1.195  -5.848
   42    HE2  MET   5           1HE      MET   5 -15.996  -2.784  -6.608
   43    HE3  MET   5           2HE      MET   5 -14.749  -2.166  -5.529
   44    H    ALA   6           H        ALA   6 -12.268  -6.216  -1.666
   45    HA   ALA   6           HA       ALA   6 -13.421  -5.871   0.945
   46    HB1  ALA   6           1HB      ALA   6 -11.165  -7.628  -0.072
   47    HB2  ALA   6           2HB      ALA   6 -12.877  -8.049  -0.026
   48    HB3  ALA   6           3HB      ALA   6 -11.980  -7.838   1.477
   49    H    ALA   7           H        ALA   7 -10.008  -5.560  -0.161
   50    HA   ALA   7           HA       ALA   7  -9.464  -3.892   2.278
   51    HB1  ALA   7           1HB      ALA   7  -7.538  -5.656   0.744
   52    HB2  ALA   7           2HB      ALA   7  -8.451  -6.211   2.150
   53    HB3  ALA   7           3HB      ALA   7  -7.277  -4.905   2.318
   54    H    SER   8           H        SER   8 -10.229  -2.148   0.734
   55    HA   SER   8           HA       SER   8  -8.029  -1.253  -1.110
   56    HB2  SER   8           2HB      SER   8  -9.881  -0.221  -2.415
   57    HB3  SER   8           1HB      SER   8 -10.063  -1.961  -2.256
   58    HG   SER   8           HG       SER   8 -11.844  -1.625  -1.175
   59    H    ALA   9           H        ALA   9  -8.555  -0.610   1.858
   60    HA   ALA   9           HA       ALA   9  -8.491   2.364   1.558
   61    HB1  ALA   9           1HB      ALA   9 -10.071   0.822   3.643
   62    HB2  ALA   9           2HB      ALA   9 -10.775   1.524   2.187
   63    HB3  ALA   9           3HB      ALA   9 -10.058   2.570   3.413
   64    H    GLY  10           H        GLY  10  -8.273  -0.141   4.136
   65    HA2  GLY  10           2HA      GLY  10  -5.861   1.262   5.189
   66    HA3  GLY  10           1HA      GLY  10  -6.870   0.150   6.113
   67    H    GLY  11           H        GLY  11  -7.046  -1.990   4.298
   68    HA2  GLY  11           2HA      GLY  11  -4.677  -3.455   4.823
   69    HA3  GLY  11           1HA      GLY  11  -5.905  -3.923   3.650
   70    H    ALA  12           H        ALA  12  -5.727  -1.895   1.763
   71    HA   ALA  12           HA       ALA  12  -3.486  -2.649   0.163
   72    HB1  ALA  12           1HB      ALA  12  -5.362  -0.267   0.144
   73    HB2  ALA  12           2HB      ALA  12  -5.475  -1.736  -0.828
   74    HB3  ALA  12           3HB      ALA  12  -4.187  -0.570  -1.137
   75    H    VAL  13           H        VAL  13  -4.010   0.283   2.156
   76    HA   VAL  13           HA       VAL  13  -1.515   1.577   1.596
   77    HB   VAL  13           HB       VAL  13  -3.363   1.640   4.013
   78   HG11  VAL  13          1HG1      VAL  13  -1.173   2.529   4.648
   79   HG12  VAL  13          2HG1      VAL  13  -2.320   3.858   4.474
   80   HG13  VAL  13          3HG1      VAL  13  -1.138   3.542   3.203
   81   HG21  VAL  13          3HG2      VAL  13  -4.259   3.663   2.962
   82   HG22  VAL  13          1HG2      VAL  13  -4.365   2.318   1.826
   83   HG23  VAL  13          2HG2      VAL  13  -3.092   3.526   1.648
   84    H    PHE  14           H        PHE  14  -2.446  -0.817   4.074
   85    HA   PHE  14           HA       PHE  14   0.004  -0.831   5.568
   86    HB2  PHE  14           2HB      PHE  14  -2.343  -1.817   6.063
   87    HB3  PHE  14           1HB      PHE  14  -1.810  -3.205   5.118
   88    HD1  PHE  14           2HD      PHE  14   0.028  -4.639   5.899
   89    HD2  PHE  14           1HD      PHE  14  -1.343  -1.299   8.226
   90    HE1  PHE  14           2HE      PHE  14   1.246  -5.515   7.872
   91    HE2  PHE  14           1HE      PHE  14  -0.125  -2.175  10.201
   92    HZ   PHE  14           HZ       PHE  14   1.170  -4.283  10.023
   93    H    VAL  15           H        VAL  15  -1.090  -2.806   2.779
   94    HA   VAL  15           HA       VAL  15   1.179  -4.542   2.598
   95    HB   VAL  15           HB       VAL  15  -0.742  -3.459   0.502
   96   HG11  VAL  15          1HG1      VAL  15   1.178  -5.806   0.381
   97   HG12  VAL  15          2HG1      VAL  15   1.222  -4.359  -0.625
   98   HG13  VAL  15          3HG1      VAL  15  -0.105  -5.508  -0.791
   99   HG21  VAL  15          3HG2      VAL  15  -0.935  -6.260   1.417
  100   HG22  VAL  15          1HG2      VAL  15  -2.210  -5.064   1.178
  101   HG23  VAL  15          2HG2      VAL  15  -1.274  -5.069   2.672
  102    H    GLY  16           H        GLY  16   0.537  -1.343   1.124
  103    HA2  GLY  16           2HA      GLY  16   2.948  -1.173  -0.412
  104    HA3  GLY  16           1HA      GLY  16   1.975   0.206   0.107
  105    H    LEU  17           H        LEU  17   2.151  -0.216   2.927
  106    HA   LEU  17           HA       LEU  17   4.619   1.109   3.568
  107    HB2  LEU  17           2HB      LEU  17   2.191   0.202   4.871
  108    HB3  LEU  17           1HB      LEU  17   3.590  -0.144   5.884
  109    HG   LEU  17           HG       LEU  17   4.102   2.423   4.930
  110   HD11  LEU  17          1HD1      LEU  17   1.160   2.086   5.583
  111   HD12  LEU  17          2HD1      LEU  17   1.854   2.695   4.079
  112   HD13  LEU  17          3HD1      LEU  17   1.992   3.642   5.561
  113   HD21  LEU  17          3HD2      LEU  17   2.812   1.502   7.521
  114   HD22  LEU  17          1HD2      LEU  17   3.558   3.082   7.277
  115   HD23  LEU  17          2HD2      LEU  17   4.542   1.621   7.199
  116    H    VAL  18           H        VAL  18   3.591  -2.311   3.922
  117    HA   VAL  18           HA       VAL  18   5.924  -3.291   5.258
  118    HB   VAL  18           HB       VAL  18   3.923  -4.552   3.349
  119   HG11  VAL  18          1HG1      VAL  18   5.662  -6.099   3.184
  120   HG12  VAL  18          2HG1      VAL  18   4.796  -6.703   4.597
  121   HG13  VAL  18          3HG1      VAL  18   6.265  -5.749   4.804
  122   HG21  VAL  18          3HG2      VAL  18   3.119  -3.693   5.575
  123   HG22  VAL  18          1HG2      VAL  18   4.247  -4.800   6.357
  124   HG23  VAL  18          2HG2      VAL  18   2.922  -5.434   5.383
  125    H    LEU  19           H        LEU  19   5.187  -2.858   1.799
  126    HA   LEU  19           HA       LEU  19   7.618  -4.026   0.760
  127    HB2  LEU  19           2HB      LEU  19   5.305  -2.422  -0.180
  128    HB3  LEU  19           1HB      LEU  19   6.773  -2.218  -1.125
  129    HG   LEU  19           HG       LEU  19   5.369  -4.016  -2.042
  130   HD11  LEU  19          1HD1      LEU  19   7.804  -5.252  -0.746
  131   HD12  LEU  19          2HD1      LEU  19   7.908  -4.121  -2.093
  132   HD13  LEU  19          3HD1      LEU  19   7.077  -5.662  -2.299
  133   HD21  LEU  19          3HD2      LEU  19   4.239  -4.762  -0.020
  134   HD22  LEU  19          1HD2      LEU  19   5.768  -5.283   0.688
  135   HD23  LEU  19          2HD2      LEU  19   5.111  -6.127  -0.713
  136    H    LEU  20           H        LEU  20   6.629  -0.660   1.473
  137    HA   LEU  20           HA       LEU  20   8.995   0.681   0.625
  138    HB2  LEU  20           2HB      LEU  20   6.536   1.325   1.723
  139    HB3  LEU  20           1HB      LEU  20   7.656   1.786   3.003
  140    HG   LEU  20           HG       LEU  20   7.810   2.680   0.106
  141   HD11  LEU  20          1HD1      LEU  20   7.257   4.901   1.042
  142   HD12  LEU  20          2HD1      LEU  20   7.095   4.183   2.644
  143   HD13  LEU  20          3HD1      LEU  20   5.972   3.736   1.359
  144   HD21  LEU  20          3HD2      LEU  20   9.565   3.167   2.523
  145   HD22  LEU  20          1HD2      LEU  20   9.533   4.292   1.166
  146   HD23  LEU  20          2HD2      LEU  20  10.049   2.623   0.917
  147    H    THR  21           H        THR  21   8.161  -0.767   3.786
  148    HA   THR  21           HA       THR  21  10.518   0.100   5.201
  149    HB   THR  21           HB       THR  21   8.664  -2.280   5.597
  150    HG1  THR  21           1HG      THR  21   7.423  -0.545   5.861
  151   HG21  THR  21          3HG2      THR  21  10.817  -2.480   6.847
  152   HG22  THR  21          1HG2      THR  21   9.423  -2.289   7.910
  153   HG23  THR  21          2HG2      THR  21  10.488  -0.918   7.600
  154    H    LEU  22           H        LEU  22   9.785  -2.802   3.253
  155    HA   LEU  22           HA       LEU  22  12.134  -4.320   3.833
  156    HB2  LEU  22           2HB      LEU  22   9.924  -4.293   1.923
  157    HB3  LEU  22           1HB      LEU  22  11.420  -4.835   1.170
  158    HG   LEU  22           HG       LEU  22  10.187  -6.740   2.095
  159   HD11  LEU  22          1HD1      LEU  22  12.575  -6.215   3.873
  160   HD12  LEU  22          2HD1      LEU  22  12.729  -6.629   2.167
  161   HD13  LEU  22          3HD1      LEU  22  11.981  -7.768   3.286
  162   HD21  LEU  22          3HD2      LEU  22   8.902  -5.922   3.878
  163   HD22  LEU  22          1HD2      LEU  22  10.262  -5.061   4.597
  164   HD23  LEU  22          2HD2      LEU  22  10.169  -6.817   4.714
  165    H    SER  23           H        SER  23  11.514  -1.833   1.333
  166    HA   SER  23           HA       SER  23  14.198  -2.047   0.192
  167    HB2  SER  23           2HB      SER  23  13.321   0.256  -0.809
  168    HB3  SER  23           1HB      SER  23  12.664  -1.272  -1.364
  169    HG   SER  23           HG       SER  23  11.561   0.305   0.746
  170    HA   PRO  24           HA       PRO  24  16.258   0.658   3.005
  171    HB2  PRO  24           2HB      PRO  24  18.167   1.761   1.387
  172    HB3  PRO  24           1HB      PRO  24  18.224   0.080   1.955
  173    HG2  PRO  24           2HG      PRO  24  17.403   1.151  -0.686
  174    HG3  PRO  24           1HG      PRO  24  18.278  -0.335  -0.288
  175    HD2  PRO  24           2HD      PRO  24  15.622  -0.244  -0.933
  176    HD3  PRO  24           1HD      PRO  24  16.371  -1.524   0.048
  177    H    HIS  25           H        HIS  25  14.258   2.034   3.133
  178    HA   HIS  25           HA       HIS  25  14.111   4.467   1.472
  179    HB2  HIS  25           2HB      HIS  25  12.145   3.118   2.256
  180    HB3  HIS  25           1HB      HIS  25  12.517   3.612   3.905
  181    HD1  HIS  25           1HD      HIS  25  11.173   5.584   4.629
  182    HD2  HIS  25           2HD      HIS  25  11.948   5.689   0.532
  183    HE1  HIS  25           1HE      HIS  25  10.057   7.671   3.741
  184    H    TYR  26           H        TYR  26  15.222   3.589   4.725
  185    HA   TYR  26           HA       TYR  26  16.322   4.808   6.389
  186    HB2  TYR  26           2HB      TYR  26  16.845   6.574   3.972
  187    HB3  TYR  26           1HB      TYR  26  17.638   6.781   5.529
  188    HD1  TYR  26           1HD      TYR  26  18.823   4.658   6.518
  189    HD2  TYR  26           2HD      TYR  26  17.782   5.137   2.377
  190    HE1  TYR  26           1HE      TYR  26  20.490   2.931   5.898
  191    HE2  TYR  26           2HE      TYR  26  19.449   3.411   1.759
  192    HH   TYR  26           HH       TYR  26  20.539   1.265   3.332
  193    H    LYS  27           H        LYS  27  14.160   5.156   7.322
  194    HA   LYS  27           HA       LYS  27  12.632   6.496   8.451
  195    HB2  LYS  27           2HB      LYS  27  14.917   7.933   8.378
  196    HB3  LYS  27           1HB      LYS  27  13.877   9.022   7.464
  197    HG2  LYS  27           2HG      LYS  27  13.079   7.857  10.143
  198    HG3  LYS  27           1HG      LYS  27  13.918   9.398   9.984
  199    HD2  LYS  27           2HD      LYS  27  11.320   8.787   8.552
  200    HD3  LYS  27           1HD      LYS  27  11.384   9.548  10.139
  201    HE2  LYS  27           2HE      LYS  27  11.784  11.560   9.190
  202    HE3  LYS  27           1HE      LYS  27  13.218  10.914   8.369
  203    HZ1  LYS  27           3HZ      LYS  27  10.413  10.569   7.433
  204    HZ2  LYS  27           1HZ      LYS  27  11.801   9.977   6.655
  205    HZ3  LYS  27           2HZ      LYS  27  11.541  11.654   6.775
  Start of MODEL   24
    1    H1   MET   1           1HT      MET   1 -14.498  -4.006  -9.128
    2    H2   MET   1           2HT      MET   1 -16.194  -3.934  -9.202
    3    H3   MET   1           3HT      MET   1 -15.415  -5.405  -8.863
    4    HA   MET   1           HA       MET   1 -14.491  -4.338  -6.793
    5    HB2  MET   1           2HB      MET   1 -15.202  -2.064  -8.009
    6    HB3  MET   1           1HB      MET   1 -16.703  -2.341  -7.128
    7    HG2  MET   1           2HG      MET   1 -14.927  -2.810  -5.141
    8    HG3  MET   1           1HG      MET   1 -14.001  -1.654  -6.100
    9    HE1  MET   1           2HE      MET   1 -16.783  -1.965  -3.355
   10    HE2  MET   1           3HE      MET   1 -17.423  -2.561  -4.883
   11    HE3  MET   1           1HE      MET   1 -18.095  -1.098  -4.144
   12    H    ASP   2           H        ASP   2 -15.328  -6.117  -5.730
   13    HA   ASP   2           HA       ASP   2 -18.295  -6.206  -5.282
   14    HB2  ASP   2           2HB      ASP   2 -16.375  -8.396  -6.097
   15    HB3  ASP   2           1HB      ASP   2 -18.002  -8.722  -5.503
   16    H    ARG   3           H        ARG   3 -15.959  -5.294  -3.558
   17    HA   ARG   3           HA       ARG   3 -15.206  -5.463  -1.354
   18    HB2  ARG   3           2HB      ARG   3 -18.020  -5.910  -1.536
   19    HB3  ARG   3           1HB      ARG   3 -17.397  -6.931  -0.245
   20    HG2  ARG   3           2HG      ARG   3 -17.739  -4.966   0.925
   21    HG3  ARG   3           1HG      ARG   3 -16.067  -4.736   0.417
   22    HD2  ARG   3           2HD      ARG   3 -17.896  -3.824  -1.658
   23    HD3  ARG   3           1HD      ARG   3 -18.218  -3.003  -0.119
   24    HE   ARG   3           HE       ARG   3 -15.648  -2.925  -1.602
   25   HH11  ARG   3          1HH1      ARG   3 -17.347  -0.575  -0.540
   26   HH12  ARG   3          2HH1      ARG   3 -16.367  -0.041   0.782
   27   HH21  ARG   3          1HH2      ARG   3 -14.436  -2.945   0.854
   28   HH22  ARG   3          2HH2      ARG   3 -14.703  -1.396   1.578
   29    H    GLU   4           H        GLU   4 -13.824  -7.326  -2.700
   30    HA   GLU   4           HA       GLU   4 -13.814  -9.650  -0.830
   31    HB2  GLU   4           2HB      GLU   4 -13.357 -11.116  -2.862
   32    HB3  GLU   4           1HB      GLU   4 -14.995 -10.497  -2.706
   33    HG2  GLU   4           2HG      GLU   4 -14.489  -8.728  -4.351
   34    HG3  GLU   4           1HG      GLU   4 -12.833  -9.321  -4.486
   35    H    MET   5           H        MET   5 -11.948  -7.968  -3.408
   36    HA   MET   5           HA       MET   5  -9.437  -8.990  -2.171
   37    HB2  MET   5           2HB      MET   5  -8.423  -8.429  -4.278
   38    HB3  MET   5           1HB      MET   5  -9.936  -9.265  -4.613
   39    HG2  MET   5           2HG      MET   5 -10.491  -6.456  -4.425
   40    HG3  MET   5           1HG      MET   5  -9.115  -6.677  -5.501
   41    HE1  MET   5           3HE      MET   5  -9.024  -7.902  -7.572
   42    HE2  MET   5           1HE      MET   5 -10.302  -8.883  -8.313
   43    HE3  MET   5           2HE      MET   5  -9.486  -9.444  -6.858
   44    H    ALA   6           H        ALA   6 -11.338  -6.108  -2.152
   45    HA   ALA   6           HA       ALA   6  -9.266  -4.115  -2.040
   46    HB1  ALA   6           1HB      ALA   6 -11.994  -4.069  -0.737
   47    HB2  ALA   6           2HB      ALA   6 -11.738  -3.814  -2.464
   48    HB3  ALA   6           3HB      ALA   6 -11.049  -2.688  -1.294
   49    H    ALA   7           H        ALA   7 -10.595  -6.281   0.439
   50    HA   ALA   7           HA       ALA   7  -9.736  -4.856   2.767
   51    HB1  ALA   7           1HB      ALA   7  -9.884  -7.159   3.802
   52    HB2  ALA   7           2HB      ALA   7 -10.163  -7.800   2.183
   53    HB3  ALA   7           3HB      ALA   7 -11.318  -6.673   2.898
   54    H    SER   8           H        SER   8  -8.119  -7.735   1.299
   55    HA   SER   8           HA       SER   8  -5.859  -8.397   1.321
   56    HB2  SER   8           2HB      SER   8  -5.809  -5.388   1.077
   57    HB3  SER   8           1HB      SER   8  -4.311  -6.307   1.097
   58    HG   SER   8           HG       SER   8  -6.368  -6.216  -0.793
   59    H    ALA   9           H        ALA   9  -3.587  -7.324   2.589
   60    HA   ALA   9           HA       ALA   9  -4.246  -7.821   5.435
   61    HB1  ALA   9           1HB      ALA   9  -2.392  -8.999   4.253
   62    HB2  ALA   9           2HB      ALA   9  -1.805  -8.067   5.631
   63    HB3  ALA   9           3HB      ALA   9  -1.598  -7.445   3.992
   64    H    GLY  10           H        GLY  10  -5.280  -5.778   5.956
   65    HA2  GLY  10           2HA      GLY  10  -4.739  -3.772   7.271
   66    HA3  GLY  10           1HA      GLY  10  -3.358  -3.511   6.225
   67    H    GLY  11           H        GLY  11  -5.533  -4.265   3.955
   68    HA2  GLY  11           2HA      GLY  11  -7.362  -3.009   2.970
   69    HA3  GLY  11           1HA      GLY  11  -6.908  -1.631   3.967
   70    H    ALA  12           H        ALA  12  -4.613  -3.541   2.076
   71    HA   ALA  12           HA       ALA  12  -3.338  -3.076   0.178
   72    HB1  ALA  12           1HB      ALA  12  -4.303  -1.801  -1.485
   73    HB2  ALA  12           2HB      ALA  12  -4.838  -0.548  -0.366
   74    HB3  ALA  12           3HB      ALA  12  -5.724  -2.069  -0.475
   75    H    VAL  13           H        VAL  13  -4.177  -0.151   2.045
   76    HA   VAL  13           HA       VAL  13  -1.869   1.431   1.569
   77    HB   VAL  13           HB       VAL  13  -3.554   1.120   4.084
   78   HG11  VAL  13          1HG1      VAL  13  -2.902   3.450   4.549
   79   HG12  VAL  13          2HG1      VAL  13  -1.890   3.464   3.105
   80   HG13  VAL  13          3HG1      VAL  13  -1.480   2.410   4.459
   81   HG21  VAL  13          3HG2      VAL  13  -3.950   2.621   1.502
   82   HG22  VAL  13          1HG2      VAL  13  -4.633   3.256   3.000
   83   HG23  VAL  13          2HG2      VAL  13  -5.112   1.663   2.418
   84    H    PHE  14           H        PHE  14  -2.528  -0.914   4.164
   85    HA   PHE  14           HA       PHE  14  -0.052  -0.781   5.560
   86    HB2  PHE  14           2HB      PHE  14  -2.254  -1.794   6.244
   87    HB3  PHE  14           1HB      PHE  14  -1.912  -3.135   5.158
   88    HD1  PHE  14           2HD      PHE  14  -0.061  -4.707   5.628
   89    HD2  PHE  14           1HD      PHE  14  -1.043  -1.523   8.338
   90    HE1  PHE  14           2HE      PHE  14   1.290  -5.798   7.396
   91    HE2  PHE  14           1HE      PHE  14   0.308  -2.615  10.107
   92    HZ   PHE  14           HZ       PHE  14   1.475  -4.753   9.638
   93    H    VAL  15           H        VAL  15  -1.050  -2.818   2.789
   94    HA   VAL  15           HA       VAL  15   1.267  -4.500   2.675
   95    HB   VAL  15           HB       VAL  15  -0.674  -3.532   0.544
   96   HG11  VAL  15          1HG1      VAL  15   0.041  -5.650  -0.646
   97   HG12  VAL  15          2HG1      VAL  15   1.379  -5.762   0.495
   98   HG13  VAL  15          3HG1      VAL  15   1.270  -4.385  -0.602
   99   HG21  VAL  15          3HG2      VAL  15  -0.574  -5.956   2.360
  100   HG22  VAL  15          1HG2      VAL  15  -1.598  -5.885   0.926
  101   HG23  VAL  15          2HG2      VAL  15  -1.850  -4.744   2.247
  102    H    GLY  16           H        GLY  16   0.526  -1.386   1.059
  103    HA2  GLY  16           2HA      GLY  16   2.963  -1.182  -0.429
  104    HA3  GLY  16           1HA      GLY  16   1.924   0.175   0.006
  105    H    LEU  17           H        LEU  17   2.081  -0.134   2.856
  106    HA   LEU  17           HA       LEU  17   4.466   1.348   3.460
  107    HB2  LEU  17           2HB      LEU  17   2.194   1.247   4.659
  108    HB3  LEU  17           1HB      LEU  17   2.776  -0.240   5.405
  109    HG   LEU  17           HG       LEU  17   4.722   1.957   5.546
  110   HD11  LEU  17          1HD1      LEU  17   2.544   3.208   5.734
  111   HD12  LEU  17          2HD1      LEU  17   3.547   3.295   7.181
  112   HD13  LEU  17          3HD1      LEU  17   2.154   2.215   7.140
  113   HD21  LEU  17          3HD2      LEU  17   3.432   0.420   7.808
  114   HD22  LEU  17          1HD2      LEU  17   5.060   1.096   7.730
  115   HD23  LEU  17          2HD2      LEU  17   4.647  -0.323   6.767
  116    H    VAL  18           H        VAL  18   3.599  -2.094   3.991
  117    HA   VAL  18           HA       VAL  18   6.018  -2.875   5.330
  118    HB   VAL  18           HB       VAL  18   3.983  -4.352   3.624
  119   HG11  VAL  18          1HG1      VAL  18   5.753  -5.860   3.492
  120   HG12  VAL  18          2HG1      VAL  18   5.010  -6.360   5.012
  121   HG13  VAL  18          3HG1      VAL  18   6.449  -5.339   5.027
  122   HG21  VAL  18          3HG2      VAL  18   3.062  -5.053   5.733
  123   HG22  VAL  18          1HG2      VAL  18   3.315  -3.312   5.849
  124   HG23  VAL  18          2HG2      VAL  18   4.450  -4.420   6.618
  125    H    LEU  19           H        LEU  19   5.131  -2.677   1.889
  126    HA   LEU  19           HA       LEU  19   7.462  -3.899   0.747
  127    HB2  LEU  19           2HB      LEU  19   5.304  -1.997  -0.090
  128    HB3  LEU  19           1HB      LEU  19   6.710  -2.147  -1.138
  129    HG   LEU  19           HG       LEU  19   5.276  -4.601  -0.131
  130   HD11  LEU  19          1HD1      LEU  19   3.641  -3.039  -1.254
  131   HD12  LEU  19          2HD1      LEU  19   3.849  -4.582  -2.082
  132   HD13  LEU  19          3HD1      LEU  19   4.638  -3.133  -2.706
  133   HD21  LEU  19          3HD2      LEU  19   6.890  -3.997  -2.634
  134   HD22  LEU  19          1HD2      LEU  19   6.247  -5.574  -2.175
  135   HD23  LEU  19          2HD2      LEU  19   7.508  -4.821  -1.202
  136    H    LEU  20           H        LEU  20   6.717  -0.549   1.683
  137    HA   LEU  20           HA       LEU  20   9.086   0.733   0.715
  138    HB2  LEU  20           2HB      LEU  20   6.812   1.630   1.609
  139    HB3  LEU  20           1HB      LEU  20   7.570   1.532   3.197
  140    HG   LEU  20           HG       LEU  20   9.542   2.809   1.898
  141   HD11  LEU  20          1HD1      LEU  20   6.997   3.420   0.387
  142   HD12  LEU  20          2HD1      LEU  20   8.569   2.953  -0.265
  143   HD13  LEU  20          3HD1      LEU  20   8.347   4.555   0.439
  144   HD21  LEU  20          3HD2      LEU  20   8.423   3.619   3.926
  145   HD22  LEU  20          1HD2      LEU  20   7.009   4.088   2.983
  146   HD23  LEU  20          2HD2      LEU  20   8.541   4.929   2.752
  147    H    THR  21           H        THR  21   8.512  -1.199   3.620
  148    HA   THR  21           HA       THR  21  11.147  -0.392   4.768
  149    HB   THR  21           HB       THR  21   8.985  -2.130   5.982
  150    HG1  THR  21           1HG      THR  21   7.845  -0.369   5.924
  151   HG21  THR  21          3HG2      THR  21  10.077  -0.797   8.031
  152   HG22  THR  21          1HG2      THR  21  11.460  -0.776   6.937
  153   HG23  THR  21          2HG2      THR  21  10.753  -2.313   7.434
  154    H    LEU  22           H        LEU  22   9.776  -2.973   2.898
  155    HA   LEU  22           HA       LEU  22  11.993  -4.796   3.772
  156    HB2  LEU  22           2HB      LEU  22   9.207  -5.153   3.754
  157    HB3  LEU  22           1HB      LEU  22   9.800  -6.093   2.385
  158    HG   LEU  22           HG       LEU  22  11.614  -6.934   4.076
  159   HD11  LEU  22          1HD1      LEU  22  10.790  -7.013   6.401
  160   HD12  LEU  22          2HD1      LEU  22   9.395  -6.038   5.943
  161   HD13  LEU  22          3HD1      LEU  22  11.016  -5.346   5.871
  162   HD21  LEU  22          3HD2      LEU  22   9.980  -8.702   4.874
  163   HD22  LEU  22          1HD2      LEU  22   9.979  -8.437   3.131
  164   HD23  LEU  22          2HD2      LEU  22   8.694  -7.753   4.128
  165    H    SER  23           H        SER  23  10.054  -3.815   0.886
  166    HA   SER  23           HA       SER  23  12.012  -5.130  -0.896
  167    HB2  SER  23           2HB      SER  23   9.508  -5.166  -1.205
  168    HB3  SER  23           1HB      SER  23   9.589  -3.446  -1.572
  169    HG   SER  23           HG       SER  23   9.933  -5.420  -3.234
  170    HA   PRO  24           HA       PRO  24  14.155  -1.158  -1.112
  171    HB2  PRO  24           2HB      PRO  24  16.427  -2.126  -2.275
  172    HB3  PRO  24           1HB      PRO  24  16.097  -2.267  -0.537
  173    HG2  PRO  24           2HG      PRO  24  15.903  -4.308  -2.663
  174    HG3  PRO  24           1HG      PRO  24  16.328  -4.485  -0.956
  175    HD2  PRO  24           2HD      PRO  24  13.872  -5.110  -2.066
  176    HD3  PRO  24           1HD      PRO  24  14.185  -4.835  -0.340
  177    H    HIS  25           H        HIS  25  12.709  -0.300  -2.733
  178    HA   HIS  25           HA       HIS  25  12.942  -1.129  -5.549
  179    HB2  HIS  25           2HB      HIS  25  11.317   0.788  -3.907
  180    HB3  HIS  25           1HB      HIS  25  11.391   1.034  -5.651
  181    HD1  HIS  25           1HD      HIS  25   9.743  -0.272  -6.971
  182    HD2  HIS  25           2HD      HIS  25  10.514  -2.080  -3.298
  183    HE1  HIS  25           1HE      HIS  25   8.204  -2.279  -6.825
  184    H    TYR  26           H        TYR  26  13.646   1.852  -3.676
  185    HA   TYR  26           HA       TYR  26  15.645   2.616  -5.783
  186    HB2  TYR  26           2HB      TYR  26  13.569   4.231  -4.277
  187    HB3  TYR  26           1HB      TYR  26  14.943   4.998  -5.072
  188    HD1  TYR  26           1HD      TYR  26  15.357   4.295  -7.579
  189    HD2  TYR  26           2HD      TYR  26  11.619   3.828  -5.514
  190    HE1  TYR  26           1HE      TYR  26  14.171   4.179  -9.751
  191    HE2  TYR  26           2HE      TYR  26  10.434   3.712  -7.687
  192    HH   TYR  26           HH       TYR  26  11.498   2.949 -10.321
  193    H    LYS  27           H        LYS  27  16.943   1.253  -4.125
  194    HA   LYS  27           HA       LYS  27  18.013   3.067  -1.990
  195    HB2  LYS  27           2HB      LYS  27  16.571   0.631  -1.725
  196    HB3  LYS  27           1HB      LYS  27  18.244   0.280  -1.296
  197    HG2  LYS  27           2HG      LYS  27  17.171   0.992   0.720
  198    HG3  LYS  27           1HG      LYS  27  18.179   2.340   0.192
  199    HD2  LYS  27           2HD      LYS  27  16.382   3.656  -0.368
  200    HD3  LYS  27           1HD      LYS  27  15.379   2.282  -0.827
  201    HE2  LYS  27           2HE      LYS  27  16.095   2.400   2.052
  202    HE3  LYS  27           1HE      LYS  27  15.010   3.681   1.482
  203    HZ1  LYS  27           3HZ      LYS  27  14.634   0.748   1.136
  204    HZ2  LYS  27           1HZ      LYS  27  13.672   1.922   0.376
  205    HZ3  LYS  27           2HZ      LYS  27  13.682   1.801   2.070
  Start of MODEL   25
    1    H1   MET   1           1HT      MET   1  -4.624 -23.401  -3.553
    2    H2   MET   1           2HT      MET   1  -3.793 -23.484  -5.031
    3    H3   MET   1           3HT      MET   1  -5.469 -23.195  -5.007
    4    HA   MET   1           HA       MET   1  -3.294 -21.360  -4.130
    5    HB2  MET   1           2HB      MET   1  -3.970 -21.677  -6.572
    6    HB3  MET   1           1HB      MET   1  -5.545 -21.015  -6.128
    7    HG2  MET   1           2HG      MET   1  -4.366 -18.984  -5.233
    8    HG3  MET   1           1HG      MET   1  -2.859 -19.633  -5.878
    9    HE1  MET   1           2HE      MET   1  -5.978 -17.310  -6.955
   10    HE2  MET   1           3HE      MET   1  -6.403 -18.929  -6.408
   11    HE3  MET   1           1HE      MET   1  -6.640 -18.469  -8.103
   12    H    ASP   2           H        ASP   2  -3.874 -19.740  -2.688
   13    HA   ASP   2           HA       ASP   2  -6.760 -19.556  -1.869
   14    HB2  ASP   2           2HB      ASP   2  -4.646 -20.615  -0.440
   15    HB3  ASP   2           1HB      ASP   2  -4.725 -18.960   0.166
   16    H    ARG   3           H        ARG   3  -5.253 -17.847  -3.793
   17    HA   ARG   3           HA       ARG   3  -4.603 -15.336  -2.440
   18    HB2  ARG   3           2HB      ARG   3  -4.930 -16.237  -5.313
   19    HB3  ARG   3           1HB      ARG   3  -4.550 -14.566  -4.895
   20    HG2  ARG   3           2HG      ARG   3  -2.445 -15.104  -4.056
   21    HG3  ARG   3           1HG      ARG   3  -2.896 -16.774  -3.711
   22    HD2  ARG   3           2HD      ARG   3  -3.207 -16.819  -6.388
   23    HD3  ARG   3           1HD      ARG   3  -1.960 -15.563  -6.272
   24    HE   ARG   3           HE       ARG   3  -1.432 -17.942  -4.626
   25   HH11  ARG   3          1HH1      ARG   3  -1.597 -18.740  -7.560
   26   HH12  ARG   3          2HH1      ARG   3   0.053 -18.572  -8.053
   27   HH21  ARG   3          1HH2      ARG   3   0.952 -16.665  -5.279
   28   HH22  ARG   3          2HH2      ARG   3   1.508 -17.388  -6.750
   29    H    GLU   4           H        GLU   4  -6.555 -14.832  -1.290
   30    HA   GLU   4           HA       GLU   4  -8.743 -13.735  -3.014
   31    HB2  GLU   4           2HB      GLU   4  -9.195 -16.057  -2.091
   32    HB3  GLU   4           1HB      GLU   4  -9.151 -15.349  -0.478
   33    HG2  GLU   4           2HG      GLU   4 -10.868 -13.636  -1.707
   34    HG3  GLU   4           1HG      GLU   4 -11.223 -15.124  -2.584
   35    H    MET   5           H        MET   5  -7.964 -14.000   0.499
   36    HA   MET   5           HA       MET   5  -8.332 -11.028   0.715
   37    HB2  MET   5           2HB      MET   5  -9.213 -13.392   2.304
   38    HB3  MET   5           1HB      MET   5  -8.787 -11.939   3.209
   39    HG2  MET   5           2HG      MET   5 -10.425 -11.344   0.858
   40    HG3  MET   5           1HG      MET   5 -11.234 -12.427   1.990
   41    HE1  MET   5           3HE      MET   5 -10.621  -9.217   0.849
   42    HE2  MET   5           1HE      MET   5 -11.143  -8.089   2.113
   43    HE3  MET   5           2HE      MET   5 -12.283  -9.244   1.430
   44    H    ALA   6           H        ALA   6  -5.780 -12.692   0.226
   45    HA   ALA   6           HA       ALA   6  -4.243 -12.161   2.722
   46    HB1  ALA   6           1HB      ALA   6  -4.150 -14.346   1.428
   47    HB2  ALA   6           2HB      ALA   6  -2.583 -13.585   1.702
   48    HB3  ALA   6           3HB      ALA   6  -3.362 -13.456   0.124
   49    H    ALA   7           H        ALA   7  -4.244 -11.343  -0.761
   50    HA   ALA   7           HA       ALA   7  -2.015  -9.483  -0.603
   51    HB1  ALA   7           1HB      ALA   7  -2.605 -10.637  -2.665
   52    HB2  ALA   7           2HB      ALA   7  -2.836  -8.906  -2.908
   53    HB3  ALA   7           3HB      ALA   7  -4.229  -9.949  -2.627
   54    H    SER   8           H        SER   8  -5.565  -9.182  -0.444
   55    HA   SER   8           HA       SER   8  -5.365  -6.223  -0.148
   56    HB2  SER   8           2HB      SER   8  -7.671  -8.163  -0.515
   57    HB3  SER   8           1HB      SER   8  -7.859  -6.418  -0.386
   58    HG   SER   8           HG       SER   8  -7.662  -6.744  -2.527
   59    H    ALA   9           H        ALA   9  -4.275  -7.589   2.049
   60    HA   ALA   9           HA       ALA   9  -6.393  -7.645   4.149
   61    HB1  ALA   9           1HB      ALA   9  -3.480  -8.428   4.362
   62    HB2  ALA   9           2HB      ALA   9  -4.712  -9.519   3.728
   63    HB3  ALA   9           3HB      ALA   9  -4.817  -8.942   5.391
   64    H    GLY  10           H        GLY  10  -3.567  -5.799   3.124
   65    HA2  GLY  10           2HA      GLY  10  -3.461  -4.283   5.656
   66    HA3  GLY  10           1HA      GLY  10  -2.387  -4.079   4.276
   67    H    GLY  11           H        GLY  11  -5.922  -4.065   3.970
   68    HA2  GLY  11           2HA      GLY  11  -7.351  -2.425   3.137
   69    HA3  GLY  11           1HA      GLY  11  -6.483  -1.344   4.220
   70    H    ALA  12           H        ALA  12  -4.862  -2.967   1.531
   71    HA   ALA  12           HA       ALA  12  -3.794  -2.128  -0.376
   72    HB1  ALA  12           1HB      ALA  12  -6.323  -1.554  -0.687
   73    HB2  ALA  12           2HB      ALA  12  -5.145  -0.777  -1.743
   74    HB3  ALA  12           3HB      ALA  12  -5.815   0.105  -0.373
   75    H    VAL  13           H        VAL  13  -3.400  -0.800   2.482
   76    HA   VAL  13           HA       VAL  13  -1.727   1.497   1.524
   77    HB   VAL  13           HB       VAL  13  -3.492   1.191   3.987
   78   HG11  VAL  13          1HG1      VAL  13  -1.562   2.350   4.766
   79   HG12  VAL  13          2HG1      VAL  13  -2.734   3.616   4.399
   80   HG13  VAL  13          3HG1      VAL  13  -1.420   3.278   3.272
   81   HG21  VAL  13          3HG2      VAL  13  -3.554   3.046   1.586
   82   HG22  VAL  13          1HG2      VAL  13  -4.527   3.303   3.033
   83   HG23  VAL  13          2HG2      VAL  13  -4.775   1.861   2.051
   84    H    PHE  14           H        PHE  14  -2.353  -0.590   4.360
   85    HA   PHE  14           HA       PHE  14   0.218  -0.572   5.541
   86    HB2  PHE  14           2HB      PHE  14  -2.066  -1.458   6.349
   87    HB3  PHE  14           1HB      PHE  14  -1.690  -2.919   5.446
   88    HD1  PHE  14           1HD      PHE  14  -0.747  -0.825   8.333
   89    HD2  PHE  14           2HD      PHE  14   0.090  -4.432   6.153
   90    HE1  PHE  14           1HE      PHE  14   0.636  -1.646  10.220
   91    HE2  PHE  14           2HE      PHE  14   1.473  -5.251   8.040
   92    HZ   PHE  14           HZ       PHE  14   1.747  -3.859  10.075
   93    H    VAL  15           H        VAL  15  -1.098  -2.609   2.914
   94    HA   VAL  15           HA       VAL  15   1.055  -4.482   2.690
   95    HB   VAL  15           HB       VAL  15  -0.946  -3.331   0.702
   96   HG11  VAL  15          1HG1      VAL  15  -0.387  -5.412  -0.644
   97   HG12  VAL  15          2HG1      VAL  15   1.034  -5.606   0.381
   98   HG13  VAL  15          3HG1      VAL  15   0.870  -4.175  -0.637
   99   HG21  VAL  15          3HG2      VAL  15  -2.342  -5.019   1.360
  100   HG22  VAL  15          1HG2      VAL  15  -1.383  -4.965   2.839
  101   HG23  VAL  15          2HG2      VAL  15  -1.021  -6.162   1.597
  102    H    GLY  16           H        GLY  16   0.522  -1.288   1.159
  103    HA2  GLY  16           2HA      GLY  16   2.926  -1.265  -0.411
  104    HA3  GLY  16           1HA      GLY  16   1.992   0.161   0.050
  105    H    LEU  17           H        LEU  17   2.167  -0.234   2.907
  106    HA   LEU  17           HA       LEU  17   4.640   1.102   3.509
  107    HB2  LEU  17           2HB      LEU  17   2.306  -0.037   4.948
  108    HB3  LEU  17           1HB      LEU  17   3.781   0.098   5.901
  109    HG   LEU  17           HG       LEU  17   3.947   2.506   5.061
  110   HD11  LEU  17          1HD1      LEU  17   1.047   1.978   4.346
  111   HD12  LEU  17          2HD1      LEU  17   2.345   2.228   3.178
  112   HD13  LEU  17          3HD1      LEU  17   1.873   3.534   4.264
  113   HD21  LEU  17          3HD2      LEU  17   3.179   1.879   7.344
  114   HD22  LEU  17          1HD2      LEU  17   1.527   1.760   6.738
  115   HD23  LEU  17          2HD2      LEU  17   2.354   3.317   6.745
  116    H    VAL  18           H        VAL  18   3.640  -2.324   3.807
  117    HA   VAL  18           HA       VAL  18   5.979  -3.311   5.145
  118    HB   VAL  18           HB       VAL  18   3.936  -4.517   3.245
  119   HG11  VAL  18          1HG1      VAL  18   4.842  -6.726   4.340
  120   HG12  VAL  18          2HG1      VAL  18   6.318  -5.790   4.570
  121   HG13  VAL  18          3HG1      VAL  18   5.680  -6.045   2.946
  122   HG21  VAL  18          3HG2      VAL  18   4.378  -4.836   6.231
  123   HG22  VAL  18          1HG2      VAL  18   3.049  -5.519   5.296
  124   HG23  VAL  18          2HG2      VAL  18   3.176  -3.773   5.500
  125    H    LEU  19           H        LEU  19   5.186  -2.855   1.707
  126    HA   LEU  19           HA       LEU  19   7.602  -3.949   0.574
  127    HB2  LEU  19           2HB      LEU  19   5.257  -3.301  -0.424
  128    HB3  LEU  19           1HB      LEU  19   5.980  -1.705  -0.620
  129    HG   LEU  19           HG       LEU  19   7.954  -3.349  -1.616
  130   HD11  LEU  19          1HD1      LEU  19   6.754  -5.372  -1.667
  131   HD12  LEU  19          2HD1      LEU  19   6.537  -4.743  -3.299
  132   HD13  LEU  19          3HD1      LEU  19   5.245  -4.577  -2.111
  133   HD21  LEU  19          3HD2      LEU  19   5.663  -2.239  -3.263
  134   HD22  LEU  19          1HD2      LEU  19   7.344  -2.433  -3.754
  135   HD23  LEU  19          2HD2      LEU  19   6.912  -1.218  -2.552
  136    H    LEU  20           H        LEU  20   6.636  -0.708   1.674
  137    HA   LEU  20           HA       LEU  20   8.958   0.742   0.767
  138    HB2  LEU  20           2HB      LEU  20   6.481   1.235   2.012
  139    HB3  LEU  20           1HB      LEU  20   7.687   1.797   3.165
  140    HG   LEU  20           HG       LEU  20   7.922   2.536   0.256
  141   HD11  LEU  20          1HD1      LEU  20   5.595   3.081   1.231
  142   HD12  LEU  20          2HD1      LEU  20   6.505   4.413   0.520
  143   HD13  LEU  20          3HD1      LEU  20   6.440   4.228   2.271
  144   HD21  LEU  20          3HD2      LEU  20   9.194   4.383   1.137
  145   HD22  LEU  20          1HD2      LEU  20   9.758   2.936   1.973
  146   HD23  LEU  20          2HD2      LEU  20   8.654   4.048   2.782
  147    H    THR  21           H        THR  21   8.132  -0.848   3.864
  148    HA   THR  21           HA       THR  21  10.455  -0.011   5.341
  149    HB   THR  21           HB       THR  21   8.619  -2.418   5.592
  150    HG1  THR  21           1HG      THR  21   7.400  -0.697   5.990
  151   HG21  THR  21          3HG2      THR  21  10.536  -2.963   6.883
  152   HG22  THR  21          1HG2      THR  21   9.385  -2.283   8.033
  153   HG23  THR  21          2HG2      THR  21  10.727  -1.302   7.444
  154    H    LEU  22           H        LEU  22   9.988  -2.571   2.958
  155    HA   LEU  22           HA       LEU  22  12.160  -4.295   3.631
  156    HB2  LEU  22           2HB      LEU  22  10.251  -4.685   2.021
  157    HB3  LEU  22           1HB      LEU  22  11.074  -3.626   0.878
  158    HG   LEU  22           HG       LEU  22  12.908  -5.622   1.923
  159   HD11  LEU  22          1HD1      LEU  22  11.878  -7.601   0.907
  160   HD12  LEU  22          2HD1      LEU  22  10.450  -6.659   0.476
  161   HD13  LEU  22          3HD1      LEU  22  10.832  -6.958   2.172
  162   HD21  LEU  22          3HD2      LEU  22  13.335  -5.973  -0.447
  163   HD22  LEU  22          1HD2      LEU  22  13.130  -4.242  -0.173
  164   HD23  LEU  22          2HD2      LEU  22  11.817  -5.185  -0.878
  165    H    SER  23           H        SER  23  12.096  -1.799   1.039
  166    HA   SER  23           HA       SER  23  13.768  -0.447   0.133
  167    HB2  SER  23           2HB      SER  23  13.986  -0.338   2.877
  168    HB3  SER  23           1HB      SER  23  15.623  -0.768   2.395
  169    HG   SER  23           HG       SER  23  15.807   1.107   1.353
  170    HA   PRO  24           HA       PRO  24  16.234  -4.022  -1.310
  171    HB2  PRO  24           2HB      PRO  24  16.344  -3.217  -3.917
  172    HB3  PRO  24           1HB      PRO  24  14.966  -4.103  -3.231
  173    HG2  PRO  24           2HG      PRO  24  15.252  -1.201  -3.789
  174    HG3  PRO  24           1HG      PRO  24  13.843  -2.257  -3.979
  175    HD2  PRO  24           2HD      PRO  24  14.163  -0.538  -1.891
  176    HD3  PRO  24           1HD      PRO  24  13.215  -2.039  -1.802
  177    H    HIS  25           H        HIS  25  18.459  -4.057  -1.324
  178    HA   HIS  25           HA       HIS  25  19.962  -1.536  -1.166
  179    HB2  HIS  25           2HB      HIS  25  20.225  -3.846   0.093
  180    HB3  HIS  25           1HB      HIS  25  21.214  -4.260  -1.305
  181    HD1  HIS  25           1HD      HIS  25  23.036  -2.142  -1.892
  182    HD2  HIS  25           2HD      HIS  25  21.738  -2.642   2.042
  183    HE1  HIS  25           1HE      HIS  25  24.718  -0.957  -0.426
  184    H    TYR  26           H        TYR  26  19.953  -4.365  -3.377
  185    HA   TYR  26           HA       TYR  26  20.731  -4.631  -5.570
  186    HB2  TYR  26           2HB      TYR  26  19.110  -2.472  -5.463
  187    HB3  TYR  26           1HB      TYR  26  20.582  -1.692  -6.034
  188    HD1  TYR  26           2HD      TYR  26  18.028  -4.259  -6.787
  189    HD2  TYR  26           1HD      TYR  26  21.500  -2.177  -8.226
  190    HE1  TYR  26           2HE      TYR  26  17.605  -5.130  -9.070
  191    HE2  TYR  26           1HE      TYR  26  21.076  -3.049 -10.508
  192    HH   TYR  26           HH       TYR  26  18.519  -4.002 -11.665
  193    H    LYS  27           H        LYS  27  22.765  -4.483  -3.669
  194    HA   LYS  27           HA       LYS  27  25.074  -4.199  -3.441
  195    HB2  LYS  27           2HB      LYS  27  24.719  -3.761  -6.423
  196    HB3  LYS  27           1HB      LYS  27  26.277  -4.001  -5.642
  197    HG2  LYS  27           2HG      LYS  27  25.917  -6.207  -6.023
  198    HG3  LYS  27           1HG      LYS  27  24.822  -6.114  -4.644
  199    HD2  LYS  27           2HD      LYS  27  22.927  -6.102  -5.964
  200    HD3  LYS  27           1HD      LYS  27  23.745  -5.322  -7.316
  201    HE2  LYS  27           2HE      LYS  27  23.579  -7.461  -8.189
  202    HE3  LYS  27           1HE      LYS  27  25.108  -7.652  -7.312
  203    HZ1  LYS  27           3HZ      LYS  27  22.397  -8.267  -6.247
  204    HZ2  LYS  27           1HZ      LYS  27  23.840  -8.380  -5.361
  205    HZ3  LYS  27           2HZ      LYS  27  23.579  -9.405  -6.691
  Start of MODEL   26
    1    H1   MET   1           1HT      MET   1 -24.265 -10.172  -5.028
    2    H2   MET   1           2HT      MET   1 -22.897  -9.776  -5.955
    3    H3   MET   1           3HT      MET   1 -22.837  -9.680  -4.261
    4    HA   MET   1           HA       MET   1 -23.244 -12.134  -4.171
    5    HB2  MET   1           2HB      MET   1 -24.209 -11.929  -6.573
    6    HB3  MET   1           1HB      MET   1 -22.532 -11.998  -7.110
    7    HG2  MET   1           2HG      MET   1 -23.210 -14.252  -7.164
    8    HG3  MET   1           1HG      MET   1 -22.367 -14.122  -5.621
    9    HE1  MET   1           2HE      MET   1 -24.695 -16.203  -6.800
   10    HE2  MET   1           3HE      MET   1 -25.482 -16.594  -5.275
   11    HE3  MET   1           1HE      MET   1 -23.717 -16.484  -5.364
   12    H    ASP   2           H        ASP   2 -21.391 -11.211  -2.909
   13    HA   ASP   2           HA       ASP   2 -18.810 -12.166  -3.970
   14    HB2  ASP   2           2HB      ASP   2 -17.767  -9.902  -3.498
   15    HB3  ASP   2           1HB      ASP   2 -18.858  -9.938  -4.879
   16    H    ARG   3           H        ARG   3 -17.348 -12.663  -2.270
   17    HA   ARG   3           HA       ARG   3 -17.865 -11.780   0.490
   18    HB2  ARG   3           2HB      ARG   3 -19.352 -13.859  -0.436
   19    HB3  ARG   3           1HB      ARG   3 -17.950 -14.734   0.174
   20    HG2  ARG   3           2HG      ARG   3 -18.937 -12.623   1.986
   21    HG3  ARG   3           1HG      ARG   3 -20.081 -13.934   1.711
   22    HD2  ARG   3           2HD      ARG   3 -18.911 -15.018   3.349
   23    HD3  ARG   3           1HD      ARG   3 -17.708 -15.311   2.078
   24    HE   ARG   3           HE       ARG   3 -16.596 -13.177   2.794
   25   HH11  ARG   3          1HH1      ARG   3 -18.694 -12.020   4.515
   26   HH12  ARG   3          2HH1      ARG   3 -18.182 -12.457   6.110
   27   HH21  ARG   3          1HH2      ARG   3 -15.986 -14.926   4.989
   28   HH22  ARG   3          2HH2      ARG   3 -16.628 -14.124   6.382
   29    H    GLU   4           H        GLU   4 -15.556 -11.512  -1.188
   30    HA   GLU   4           HA       GLU   4 -13.586 -13.250   0.268
   31    HB2  GLU   4           2HB      GLU   4 -13.932 -12.643  -2.657
   32    HB3  GLU   4           1HB      GLU   4 -12.324 -13.000  -2.030
   33    HG2  GLU   4           2HG      GLU   4 -12.915 -15.178  -1.383
   34    HG3  GLU   4           1HG      GLU   4 -14.640 -14.809  -1.374
   35    H    MET   5           H        MET   5 -13.688 -10.377  -1.907
   36    HA   MET   5           HA       MET   5 -11.687  -9.045  -0.108
   37    HB2  MET   5           2HB      MET   5 -11.460  -9.725  -2.715
   38    HB3  MET   5           1HB      MET   5 -12.158  -8.117  -2.895
   39    HG2  MET   5           2HG      MET   5 -10.374  -7.169  -1.490
   40    HG3  MET   5           1HG      MET   5  -9.682  -8.776  -1.268
   41    HE1  MET   5           3HE      MET   5  -7.271  -7.258  -2.450
   42    HE2  MET   5           1HE      MET   5  -8.574  -6.085  -2.192
   43    HE3  MET   5           2HE      MET   5  -7.744  -6.160  -3.742
   44    H    ALA   6           H        ALA   6 -14.601  -8.962   0.363
   45    HA   ALA   6           HA       ALA   6 -15.860  -6.590  -0.621
   46    HB1  ALA   6           1HB      ALA   6 -16.876  -8.547   0.628
   47    HB2  ALA   6           2HB      ALA   6 -17.415  -6.959   1.176
   48    HB3  ALA   6           3HB      ALA   6 -16.213  -7.853   2.109
   49    H    ALA   7           H        ALA   7 -13.748  -7.086   2.222
   50    HA   ALA   7           HA       ALA   7 -13.947  -4.231   2.986
   51    HB1  ALA   7           1HB      ALA   7 -12.433  -5.058   4.844
   52    HB2  ALA   7           2HB      ALA   7 -12.514  -6.660   4.112
   53    HB3  ALA   7           3HB      ALA   7 -13.978  -5.902   4.738
   54    H    SER   8           H        SER   8 -10.812  -5.747   3.317
   55    HA   SER   8           HA       SER   8  -8.716  -5.172   2.453
   56    HB2  SER   8           2HB      SER   8 -10.378  -6.020   0.431
   57    HB3  SER   8           1HB      SER   8  -9.777  -4.490  -0.200
   58    HG   SER   8           HG       SER   8  -8.463  -6.867   0.320
   59    H    ALA   9           H        ALA   9 -10.708  -2.841   3.291
   60    HA   ALA   9           HA       ALA   9  -9.836  -0.560   1.688
   61    HB1  ALA   9           1HB      ALA   9 -11.362  -0.994   4.260
   62    HB2  ALA   9           2HB      ALA   9 -11.958  -0.375   2.721
   63    HB3  ALA   9           3HB      ALA   9 -10.923   0.631   3.733
   64    H    GLY  10           H        GLY  10  -9.023  -1.914   4.892
   65    HA2  GLY  10           2HA      GLY  10  -6.776   0.025   5.147
   66    HA3  GLY  10           1HA      GLY  10  -7.398  -0.997   6.442
   67    H    GLY  11           H        GLY  11  -6.747  -2.340   3.242
   68    HA2  GLY  11           2HA      GLY  11  -4.504  -3.908   4.439
   69    HA3  GLY  11           1HA      GLY  11  -5.540  -4.483   3.135
   70    H    ALA  12           H        ALA  12  -5.521  -2.204   1.459
   71    HA   ALA  12           HA       ALA  12  -3.189  -2.571  -0.105
   72    HB1  ALA  12           1HB      ALA  12  -5.385  -0.549   0.088
   73    HB2  ALA  12           2HB      ALA  12  -4.953  -1.612  -1.251
   74    HB3  ALA  12           3HB      ALA  12  -3.996  -0.167  -0.931
   75    H    VAL  13           H        VAL  13  -3.927   0.238   2.022
   76    HA   VAL  13           HA       VAL  13  -1.443   1.595   1.750
   77    HB   VAL  13           HB       VAL  13  -3.423   1.429   4.051
   78   HG11  VAL  13          1HG1      VAL  13  -1.219   3.443   3.506
   79   HG12  VAL  13          2HG1      VAL  13  -1.312   2.336   4.877
   80   HG13  VAL  13          3HG1      VAL  13  -2.485   3.643   4.719
   81   HG21  VAL  13          3HG2      VAL  13  -4.582   2.304   2.193
   82   HG22  VAL  13          1HG2      VAL  13  -3.157   3.147   1.584
   83   HG23  VAL  13          2HG2      VAL  13  -3.999   3.754   3.009
   84    H    PHE  14           H        PHE  14  -2.395  -1.023   3.973
   85    HA   PHE  14           HA       PHE  14  -0.052  -1.034   5.629
   86    HB2  PHE  14           2HB      PHE  14  -2.236  -2.119   6.125
   87    HB3  PHE  14           1HB      PHE  14  -1.938  -3.278   4.833
   88    HD1  PHE  14           1HD      PHE  14  -0.638  -2.034   8.100
   89    HD2  PHE  14           2HD      PHE  14  -0.563  -5.186   5.181
   90    HE1  PHE  14           1HE      PHE  14   0.650  -3.457   9.667
   91    HE2  PHE  14           2HE      PHE  14   0.725  -6.607   6.749
   92    HZ   PHE  14           HZ       PHE  14   1.332  -5.744   8.994
   93    H    VAL  15           H        VAL  15  -0.870  -2.902   2.675
   94    HA   VAL  15           HA       VAL  15   1.544  -4.446   2.538
   95    HB   VAL  15           HB       VAL  15  -0.461  -3.513   0.456
   96   HG11  VAL  15          1HG1      VAL  15   1.395  -4.080  -0.876
   97   HG12  VAL  15          2HG1      VAL  15   0.494  -5.594  -0.791
   98   HG13  VAL  15          3HG1      VAL  15   1.915  -5.355   0.226
   99   HG21  VAL  15          3HG2      VAL  15  -1.123  -5.077   2.404
  100   HG22  VAL  15          1HG2      VAL  15  -0.096  -6.280   1.623
  101   HG23  VAL  15          2HG2      VAL  15  -1.497  -5.630   0.772
  102    H    GLY  16           H        GLY  16   0.704  -1.228   1.224
  103    HA2  GLY  16           2HA      GLY  16   3.048  -0.824  -0.355
  104    HA3  GLY  16           1HA      GLY  16   2.054   0.467   0.326
  105    H    LEU  17           H        LEU  17   2.337  -0.083   3.065
  106    HA   LEU  17           HA       LEU  17   4.878   1.149   3.669
  107    HB2  LEU  17           2HB      LEU  17   2.621   1.193   4.932
  108    HB3  LEU  17           1HB      LEU  17   3.087  -0.380   5.578
  109    HG   LEU  17           HG       LEU  17   5.054   1.876   5.755
  110   HD11  LEU  17          1HD1      LEU  17   4.047   2.584   7.896
  111   HD12  LEU  17          2HD1      LEU  17   2.699   1.479   7.628
  112   HD13  LEU  17          3HD1      LEU  17   2.940   2.856   6.550
  113   HD21  LEU  17          3HD2      LEU  17   5.294   0.614   8.056
  114   HD22  LEU  17          1HD2      LEU  17   5.944  -0.125   6.594
  115   HD23  LEU  17          2HD2      LEU  17   4.393  -0.662   7.238
  116    H    VAL  18           H        VAL  18   3.635  -2.204   4.085
  117    HA   VAL  18           HA       VAL  18   6.023  -3.297   5.238
  118    HB   VAL  18           HB       VAL  18   3.818  -4.530   3.548
  119   HG11  VAL  18          1HG1      VAL  18   5.802  -5.939   5.364
  120   HG12  VAL  18          2HG1      VAL  18   5.917  -5.918   3.604
  121   HG13  VAL  18          3HG1      VAL  18   4.542  -6.692   4.388
  122   HG21  VAL  18          3HG2      VAL  18   4.032  -5.080   6.448
  123   HG22  VAL  18          1HG2      VAL  18   2.608  -4.713   5.475
  124   HG23  VAL  18          2HG2      VAL  18   3.647  -3.408   6.044
  125    H    LEU  19           H        LEU  19   5.024  -2.787   1.851
  126    HA   LEU  19           HA       LEU  19   7.298  -4.199   0.695
  127    HB2  LEU  19           2HB      LEU  19   5.111  -3.881  -0.421
  128    HB3  LEU  19           1HB      LEU  19   5.380  -2.140  -0.444
  129    HG   LEU  19           HG       LEU  19   7.682  -3.462  -1.571
  130   HD11  LEU  19          1HD1      LEU  19   6.795  -4.712  -3.347
  131   HD12  LEU  19          2HD1      LEU  19   5.187  -4.009  -3.166
  132   HD13  LEU  19          3HD1      LEU  19   5.771  -5.190  -1.993
  133   HD21  LEU  19          3HD2      LEU  19   5.549  -1.774  -2.918
  134   HD22  LEU  19          1HD2      LEU  19   7.228  -1.966  -3.419
  135   HD23  LEU  19          2HD2      LEU  19   6.848  -1.104  -1.929
  136    H    LEU  20           H        LEU  20   6.630  -0.814   1.590
  137    HA   LEU  20           HA       LEU  20   9.094   0.197   0.337
  138    HB2  LEU  20           2HB      LEU  20   6.662   1.266   0.988
  139    HB3  LEU  20           1HB      LEU  20   7.642   1.821   2.342
  140    HG   LEU  20           HG       LEU  20   9.368   2.462   0.449
  141   HD11  LEU  20          1HD1      LEU  20   8.346   3.065  -1.653
  142   HD12  LEU  20          2HD1      LEU  20   6.741   2.649  -1.051
  143   HD13  LEU  20          3HD1      LEU  20   7.935   1.380  -1.327
  144   HD21  LEU  20          3HD2      LEU  20   8.432   4.148   1.874
  145   HD22  LEU  20          1HD2      LEU  20   6.831   3.961   1.158
  146   HD23  LEU  20          2HD2      LEU  20   8.135   4.692   0.223
  147    H    THR  21           H        THR  21   7.949  -0.546   3.637
  148    HA   THR  21           HA       THR  21  10.476   0.340   4.876
  149    HB   THR  21           HB       THR  21   8.110  -1.118   6.079
  150    HG1  THR  21           1HG      THR  21   8.522   1.674   5.730
  151   HG21  THR  21          3HG2      THR  21  10.003   0.862   7.356
  152   HG22  THR  21          1HG2      THR  21  10.268  -0.883   7.394
  153   HG23  THR  21          2HG2      THR  21   8.836  -0.192   8.155
  154    H    LEU  22           H        LEU  22   8.691  -2.781   4.603
  155    HA   LEU  22           HA       LEU  22  11.059  -4.275   5.559
  156    HB2  LEU  22           2HB      LEU  22   8.229  -4.606   5.489
  157    HB3  LEU  22           1HB      LEU  22   8.926  -5.927   4.555
  158    HG   LEU  22           HG       LEU  22  10.118  -5.219   7.221
  159   HD11  LEU  22          1HD1      LEU  22   7.564  -6.752   6.700
  160   HD12  LEU  22          2HD1      LEU  22   7.831  -5.435   7.844
  161   HD13  LEU  22          3HD1      LEU  22   8.539  -7.022   8.146
  162   HD21  LEU  22          3HD2      LEU  22   9.741  -7.836   5.724
  163   HD22  LEU  22          1HD2      LEU  22  10.692  -7.602   7.190
  164   HD23  LEU  22          2HD2      LEU  22  11.206  -6.856   5.677
  165    H    SER  23           H        SER  23   9.069  -4.104   2.601
  166    HA   SER  23           HA       SER  23   9.558  -4.476   0.358
  167    HB2  SER  23           2HB      SER  23  12.441  -4.707   1.263
  168    HB3  SER  23           1HB      SER  23  11.865  -4.346  -0.356
  169    HG   SER  23           HG       SER  23  10.896  -2.432   0.570
  170    HA   PRO  24           HA       PRO  24   9.493  -8.913   0.452
  171    HB2  PRO  24           2HB      PRO  24   8.776  -9.326  -2.145
  172    HB3  PRO  24           1HB      PRO  24   7.634  -8.802  -0.891
  173    HG2  PRO  24           2HG      PRO  24   8.939  -7.228  -3.029
  174    HG3  PRO  24           1HG      PRO  24   7.333  -7.049  -2.306
  175    HD2  PRO  24           2HD      PRO  24   9.518  -5.468  -1.720
  176    HD3  PRO  24           1HD      PRO  24   8.088  -5.661  -0.684
  177    H    HIS  25           H        HIS  25  11.575  -7.015  -1.557
  178    HA   HIS  25           HA       HIS  25  13.622  -7.442  -2.616
  179    HB2  HIS  25           2HB      HIS  25  13.452  -9.554  -0.460
  180    HB3  HIS  25           1HB      HIS  25  14.880  -9.386  -1.475
  181    HD1  HIS  25           1HD      HIS  25  12.864  -7.524   1.126
  182    HD2  HIS  25           2HD      HIS  25  16.487  -7.139  -0.907
  183    HE1  HIS  25           1HE      HIS  25  14.123  -5.641   2.252
  184    H    TYR  26           H        TYR  26  11.433  -8.382  -4.103
  185    HA   TYR  26           HA       TYR  26  12.624 -10.754  -5.473
  186    HB2  TYR  26           2HB      TYR  26  10.630 -11.111  -3.744
  187    HB3  TYR  26           1HB      TYR  26   9.654 -10.572  -5.109
  188    HD1  TYR  26           1HD      TYR  26   9.834 -11.803  -7.323
  189    HD2  TYR  26           2HD      TYR  26  11.588 -13.288  -3.692
  190    HE1  TYR  26           1HE      TYR  26  10.010 -14.061  -8.331
  191    HE2  TYR  26           2HE      TYR  26  11.763 -15.544  -4.701
  192    HH   TYR  26           HH       TYR  26  10.183 -16.681  -6.948
  193    H    LYS  27           H        LYS  27  12.428 -10.632  -7.716
  194    HA   LYS  27           HA       LYS  27  10.626  -8.577  -8.912
  195    HB2  LYS  27           2HB      LYS  27  12.936  -7.660  -8.437
  196    HB3  LYS  27           1HB      LYS  27  13.578  -8.864  -9.554
  197    HG2  LYS  27           2HG      LYS  27  13.176  -7.425 -11.235
  198    HG3  LYS  27           1HG      LYS  27  11.452  -7.637 -10.934
  199    HD2  LYS  27           2HD      LYS  27  11.543  -5.817  -9.244
  200    HD3  LYS  27           1HD      LYS  27  13.250  -5.577  -9.621
  201    HE2  LYS  27           2HE      LYS  27  12.610  -5.125 -12.011
  202    HE3  LYS  27           1HE      LYS  27  10.906  -5.198 -11.520
  203    HZ1  LYS  27           3HZ      LYS  27  11.737  -2.922 -11.429
  204    HZ2  LYS  27           1HZ      LYS  27  12.960  -3.386 -10.352
  205    HZ3  LYS  27           2HZ      LYS  27  11.329  -3.477  -9.876
  Start of MODEL   27
    1    H1   MET   1           1HT      MET   1 -10.499 -10.557  -3.011
    2    H2   MET   1           2HT      MET   1  -9.692 -11.689  -3.989
    3    H3   MET   1           3HT      MET   1 -11.218 -11.100  -4.447
    4    HA   MET   1           HA       MET   1 -10.206  -8.816  -4.589
    5    HB2  MET   1           2HB      MET   1  -7.876 -10.584  -3.893
    6    HB3  MET   1           1HB      MET   1  -7.595  -9.178  -4.919
    7    HG2  MET   1           2HG      MET   1  -7.340  -8.124  -2.905
    8    HG3  MET   1           1HG      MET   1  -9.097  -8.021  -2.990
    9    HE1  MET   1           2HE      MET   1 -10.105  -9.332   0.192
   10    HE2  MET   1           3HE      MET   1 -10.489  -8.559  -1.342
   11    HE3  MET   1           1HE      MET   1  -9.297  -7.833  -0.250
   12    H    ASP   2           H        ASP   2 -10.960  -8.676  -6.683
   13    HA   ASP   2           HA       ASP   2  -9.581 -10.313  -8.783
   14    HB2  ASP   2           2HB      ASP   2 -12.552  -9.825  -8.423
   15    HB3  ASP   2           1HB      ASP   2 -11.832 -10.622  -9.819
   16    H    ARG   3           H        ARG   3 -12.004  -7.642  -8.498
   17    HA   ARG   3           HA       ARG   3 -10.336  -6.031 -10.391
   18    HB2  ARG   3           2HB      ARG   3 -12.401  -7.521 -11.241
   19    HB3  ARG   3           1HB      ARG   3 -13.316  -6.115 -10.708
   20    HG2  ARG   3           2HG      ARG   3 -12.528  -4.800 -12.398
   21    HG3  ARG   3           1HG      ARG   3 -10.907  -5.490 -12.311
   22    HD2  ARG   3           2HD      ARG   3 -11.864  -6.144 -14.443
   23    HD3  ARG   3           1HD      ARG   3 -11.856  -7.586 -13.410
   24    HE   ARG   3           HE       ARG   3 -14.283  -6.841 -12.813
   25   HH11  ARG   3          1HH1      ARG   3 -13.536  -8.174 -15.588
   26   HH12  ARG   3          2HH1      ARG   3 -14.623  -7.304 -16.615
   27   HH21  ARG   3          1HH2      ARG   3 -15.345  -4.873 -14.225
   28   HH22  ARG   3          2HH2      ARG   3 -15.656  -5.420 -15.837
   29    H    GLU   4           H        GLU   4 -12.931  -4.216 -10.350
   30    HA   GLU   4           HA       GLU   4 -13.665  -2.341  -9.188
   31    HB2  GLU   4           2HB      GLU   4 -12.867  -3.869  -6.697
   32    HB3  GLU   4           1HB      GLU   4 -14.132  -2.661  -6.857
   33    HG2  GLU   4           2HG      GLU   4 -14.120  -5.507  -7.871
   34    HG3  GLU   4           1HG      GLU   4 -15.282  -4.735  -6.801
   35    H    MET   5           H        MET   5 -11.707  -1.365 -10.158
   36    HA   MET   5           HA       MET   5  -9.814   0.024 -10.063
   37    HB2  MET   5           2HB      MET   5 -11.506   0.753  -8.128
   38    HB3  MET   5           1HB      MET   5 -10.167   0.250  -7.099
   39    HG2  MET   5           2HG      MET   5  -9.780   2.558  -7.513
   40    HG3  MET   5           1HG      MET   5  -8.676   1.714  -8.598
   41    HE1  MET   5           3HE      MET   5 -12.068   4.512  -9.542
   42    HE2  MET   5           1HE      MET   5 -10.651   4.737  -8.500
   43    HE3  MET   5           2HE      MET   5 -11.902   3.579  -8.058
   44    H    ALA   6           H        ALA   6  -9.506  -2.917  -9.597
   45    HA   ALA   6           HA       ALA   6  -7.907  -4.488  -8.928
   46    HB1  ALA   6           1HB      ALA   6  -6.671  -3.058 -10.501
   47    HB2  ALA   6           2HB      ALA   6  -5.604  -3.643  -9.225
   48    HB3  ALA   6           3HB      ALA   6  -6.208  -1.986  -9.178
   49    H    ALA   7           H        ALA   7  -9.359  -3.226  -6.741
   50    HA   ALA   7           HA       ALA   7  -9.323  -3.039  -4.409
   51    HB1  ALA   7           1HB      ALA   7  -8.001  -4.712  -3.344
   52    HB2  ALA   7           2HB      ALA   7  -6.811  -4.701  -4.646
   53    HB3  ALA   7           3HB      ALA   7  -8.424  -5.360  -4.929
   54    H    SER   8           H        SER   8  -7.751  -0.989  -5.984
   55    HA   SER   8           HA       SER   8  -5.409  -0.347  -4.331
   56    HB2  SER   8           2HB      SER   8  -6.860   0.925  -6.657
   57    HB3  SER   8           1HB      SER   8  -5.540   1.751  -5.840
   58    HG   SER   8           HG       SER   8  -4.372   0.586  -7.172
   59    H    ALA   9           H        ALA   9  -6.597  -0.208  -2.238
   60    HA   ALA   9           HA       ALA   9  -7.568   2.540  -1.737
   61    HB1  ALA   9           1HB      ALA   9  -9.699   1.706  -0.782
   62    HB2  ALA   9           2HB      ALA   9  -9.267   0.068  -1.274
   63    HB3  ALA   9           3HB      ALA   9  -9.555   1.310  -2.494
   64    H    GLY  10           H        GLY  10  -7.763  -0.613  -0.005
   65    HA2  GLY  10           2HA      GLY  10  -6.451   0.676   2.340
   66    HA3  GLY  10           1HA      GLY  10  -7.441  -0.780   2.402
   67    H    GLY  11           H        GLY  11  -6.014  -1.909  -0.017
   68    HA2  GLY  11           2HA      GLY  11  -4.057  -3.473   1.302
   69    HA3  GLY  11           1HA      GLY  11  -4.203  -3.315  -0.448
   70    H    ALA  12           H        ALA  12  -3.526  -0.759  -1.010
   71    HA   ALA  12           HA       ALA  12  -0.693  -0.673  -0.806
   72    HB1  ALA  12           1HB      ALA  12  -1.927   0.501  -2.525
   73    HB2  ALA  12           2HB      ALA  12  -1.019   1.693  -1.594
   74    HB3  ALA  12           3HB      ALA  12  -2.749   1.492  -1.320
   75    H    VAL  13           H        VAL  13  -3.128   0.556   1.450
   76    HA   VAL  13           HA       VAL  13  -1.425   2.396   2.884
   77    HB   VAL  13           HB       VAL  13  -3.940   0.878   3.657
   78   HG11  VAL  13          1HG1      VAL  13  -2.567   3.227   5.000
   79   HG12  VAL  13          2HG1      VAL  13  -2.776   1.612   5.677
   80   HG13  VAL  13          3HG1      VAL  13  -4.181   2.642   5.404
   81   HG21  VAL  13          3HG2      VAL  13  -3.359   3.539   2.369
   82   HG22  VAL  13          1HG2      VAL  13  -4.831   3.324   3.317
   83   HG23  VAL  13          2HG2      VAL  13  -4.539   2.317   1.899
   84    H    PHE  14           H        PHE  14  -2.136  -1.091   3.301
   85    HA   PHE  14           HA       PHE  14  -0.190  -1.171   5.576
   86    HB2  PHE  14           2HB      PHE  14  -2.636  -2.050   5.651
   87    HB3  PHE  14           1HB      PHE  14  -2.030  -3.392   4.680
   88    HD1  PHE  14           2HD      PHE  14  -1.719  -1.635   7.928
   89    HD2  PHE  14           1HD      PHE  14  -0.574  -5.070   5.616
   90    HE1  PHE  14           2HE      PHE  14  -0.808  -2.706   9.970
   91    HE2  PHE  14           1HE      PHE  14   0.337  -6.141   7.658
   92    HZ   PHE  14           HZ       PHE  14   0.220  -4.959   9.836
   93    H    VAL  15           H        VAL  15  -1.078  -3.062   2.661
   94    HA   VAL  15           HA       VAL  15   1.252  -4.725   2.574
   95    HB   VAL  15           HB       VAL  15  -0.513  -3.723   0.307
   96   HG11  VAL  15          1HG1      VAL  15   1.499  -4.838  -0.512
   97   HG12  VAL  15          2HG1      VAL  15   0.107  -5.895  -0.749
   98   HG13  VAL  15          3HG1      VAL  15   1.226  -6.195   0.580
   99   HG21  VAL  15          3HG2      VAL  15  -1.503  -6.153   0.826
  100   HG22  VAL  15          1HG2      VAL  15  -2.083  -4.730   1.691
  101   HG23  VAL  15          2HG2      VAL  15  -0.896  -5.795   2.442
  102    H    GLY  16           H        GLY  16   0.504  -1.649   0.883
  103    HA2  GLY  16           2HA      GLY  16   2.960  -1.393  -0.534
  104    HA3  GLY  16           1HA      GLY  16   1.905  -0.047  -0.100
  105    H    LEU  17           H        LEU  17   2.011  -0.338   2.733
  106    HA   LEU  17           HA       LEU  17   4.382   1.135   3.403
  107    HB2  LEU  17           2HB      LEU  17   2.179   1.153   4.594
  108    HB3  LEU  17           1HB      LEU  17   2.520  -0.471   5.185
  109    HG   LEU  17           HG       LEU  17   4.763   1.305   5.706
  110   HD11  LEU  17          1HD1      LEU  17   3.616   2.704   7.413
  111   HD12  LEU  17          2HD1      LEU  17   2.063   2.089   6.847
  112   HD13  LEU  17          3HD1      LEU  17   3.067   3.067   5.777
  113   HD21  LEU  17          3HD2      LEU  17   4.480   0.421   7.969
  114   HD22  LEU  17          1HD2      LEU  17   4.273  -0.889   6.807
  115   HD23  LEU  17          2HD2      LEU  17   2.862  -0.158   7.572
  116    H    VAL  18           H        VAL  18   3.533  -2.322   3.870
  117    HA   VAL  18           HA       VAL  18   5.902  -3.108   5.281
  118    HB   VAL  18           HB       VAL  18   3.927  -4.549   3.481
  119   HG11  VAL  18          1HG1      VAL  18   4.869  -6.643   4.619
  120   HG12  VAL  18          2HG1      VAL  18   6.264  -5.656   5.055
  121   HG13  VAL  18          3HG1      VAL  18   5.870  -5.927   3.357
  122   HG21  VAL  18          3HG2      VAL  18   4.347  -4.680   6.483
  123   HG22  VAL  18          1HG2      VAL  18   3.001  -5.354   5.565
  124   HG23  VAL  18          2HG2      VAL  18   3.183  -3.606   5.707
  125    H    LEU  19           H        LEU  19   5.160  -2.951   1.790
  126    HA   LEU  19           HA       LEU  19   7.648  -4.095   0.869
  127    HB2  LEU  19           2HB      LEU  19   5.304  -3.631  -0.271
  128    HB3  LEU  19           1HB      LEU  19   6.055  -2.098  -0.711
  129    HG   LEU  19           HG       LEU  19   7.488  -4.705  -1.211
  130   HD11  LEU  19          1HD1      LEU  19   5.221  -4.837  -2.244
  131   HD12  LEU  19          2HD1      LEU  19   6.514  -4.791  -3.441
  132   HD13  LEU  19          3HD1      LEU  19   5.562  -3.343  -3.116
  133   HD21  LEU  19          3HD2      LEU  19   7.706  -1.845  -2.058
  134   HD22  LEU  19          1HD2      LEU  19   8.152  -3.075  -3.241
  135   HD23  LEU  19          2HD2      LEU  19   8.981  -3.005  -1.687
  136    H    LEU  20           H        LEU  20   6.671  -0.787   1.746
  137    HA   LEU  20           HA       LEU  20   9.020   0.491   0.575
  138    HB2  LEU  20           2HB      LEU  20   6.618   1.382   1.228
  139    HB3  LEU  20           1HB      LEU  20   7.378   1.665   2.794
  140    HG   LEU  20           HG       LEU  20   9.262   2.830   1.445
  141   HD11  LEU  20          1HD1      LEU  20   7.002   2.954  -0.577
  142   HD12  LEU  20          2HD1      LEU  20   8.474   2.003  -0.770
  143   HD13  LEU  20          3HD1      LEU  20   8.564   3.763  -0.707
  144   HD21  LEU  20          3HD2      LEU  20   7.998   4.952   1.449
  145   HD22  LEU  20          1HD2      LEU  20   7.641   4.011   2.897
  146   HD23  LEU  20          2HD2      LEU  20   6.484   4.056   1.568
  147    H    THR  21           H        THR  21   8.206  -0.840   3.763
  148    HA   THR  21           HA       THR  21  10.351   0.340   5.263
  149    HB   THR  21           HB       THR  21   8.656  -2.150   5.574
  150    HG1  THR  21           1HG      THR  21   7.451  -0.382   5.917
  151   HG21  THR  21          3HG2      THR  21  10.633  -0.948   7.534
  152   HG22  THR  21          1HG2      THR  21  10.712  -2.557   6.816
  153   HG23  THR  21          2HG2      THR  21   9.421  -2.159   7.949
  154    H    LEU  22           H        LEU  22  10.188  -2.751   3.434
  155    HA   LEU  22           HA       LEU  22  13.119  -3.120   3.966
  156    HB2  LEU  22           2HB      LEU  22  10.808  -4.979   3.461
  157    HB3  LEU  22           1HB      LEU  22  12.468  -5.524   3.223
  158    HG   LEU  22           HG       LEU  22  12.414  -4.144   5.707
  159   HD11  LEU  22          1HD1      LEU  22  10.748  -5.598   6.918
  160   HD12  LEU  22          2HD1      LEU  22  10.134  -6.107   5.346
  161   HD13  LEU  22          3HD1      LEU  22  10.015  -4.417   5.832
  162   HD21  LEU  22          3HD2      LEU  22  12.490  -7.115   5.079
  163   HD22  LEU  22          1HD2      LEU  22  13.023  -6.372   6.587
  164   HD23  LEU  22          2HD2      LEU  22  13.885  -6.034   5.084
  165    H    SER  23           H        SER  23  10.974  -2.199   1.466
  166    HA   SER  23           HA       SER  23  11.305  -1.764  -0.795
  167    HB2  SER  23           2HB      SER  23  13.856  -1.694   0.413
  168    HB3  SER  23           1HB      SER  23  14.051  -2.633  -1.062
  169    HG   SER  23           HG       SER  23  13.149   0.017  -0.697
  170    HA   PRO  24           HA       PRO  24  10.882  -5.674  -2.782
  171    HB2  PRO  24           2HB      PRO  24  11.258  -4.998  -5.402
  172    HB3  PRO  24           1HB      PRO  24   9.817  -4.530  -4.480
  173    HG2  PRO  24           2HG      PRO  24  12.124  -2.904  -5.313
  174    HG3  PRO  24           1HG      PRO  24  10.449  -2.427  -5.009
  175    HD2  PRO  24           2HD      PRO  24  12.628  -2.048  -3.292
  176    HD3  PRO  24           1HD      PRO  24  10.910  -1.852  -2.885
  177    H    HIS  25           H        HIS  25  13.105  -6.114  -1.614
  178    HA   HIS  25           HA       HIS  25  15.216  -7.114  -1.638
  179    HB2  HIS  25           2HB      HIS  25  13.656  -8.365  -3.439
  180    HB3  HIS  25           1HB      HIS  25  14.909  -7.780  -4.533
  181    HD1  HIS  25           1HD      HIS  25  17.459  -8.125  -3.055
  182    HD2  HIS  25           2HD      HIS  25  14.385 -10.927  -2.729
  183    HE1  HIS  25           1HE      HIS  25  18.533 -10.279  -2.273
  184    H    TYR  26           H        TYR  26  15.389  -4.388  -1.934
  185    HA   TYR  26           HA       TYR  26  17.193  -3.800  -4.228
  186    HB2  TYR  26           2HB      TYR  26  15.202  -2.371  -3.427
  187    HB3  TYR  26           1HB      TYR  26  16.219  -1.929  -2.056
  188    HD1  TYR  26           1HD      TYR  26  15.772  -1.663  -5.708
  189    HD2  TYR  26           2HD      TYR  26  18.210  -0.549  -2.350
  190    HE1  TYR  26           1HE      TYR  26  16.911   0.042  -7.101
  191    HE2  TYR  26           2HE      TYR  26  19.349   1.156  -3.745
  192    HH   TYR  26           HH       TYR  26  18.307   2.461  -6.272
  193    H    LYS  27           H        LYS  27  17.194  -3.466  -0.644
  194    HA   LYS  27           HA       LYS  27  20.156  -3.882  -0.673
  195    HB2  LYS  27           2HB      LYS  27  18.547  -1.554   0.269
  196    HB3  LYS  27           1HB      LYS  27  19.916  -2.037   1.271
  197    HG2  LYS  27           2HG      LYS  27  21.406  -1.910  -0.691
  198    HG3  LYS  27           1HG      LYS  27  20.043  -1.419  -1.695
  199    HD2  LYS  27           2HD      LYS  27  20.736   0.687  -1.169
  200    HD3  LYS  27           1HD      LYS  27  19.836   0.397   0.319
  201    HE2  LYS  27           2HE      LYS  27  22.283  -0.772   0.882
  202    HE3  LYS  27           1HE      LYS  27  22.741   0.649  -0.075
  203    HZ1  LYS  27           3HZ      LYS  27  22.516   1.338   2.185
  204    HZ2  LYS  27           1HZ      LYS  27  20.996   0.604   2.330
  205    HZ3  LYS  27           2HZ      LYS  27  21.191   1.967   1.329
  Start of MODEL   28
    1    H1   MET   1           1HT      MET   1 -21.086 -13.850  11.230
    2    H2   MET   1           2HT      MET   1 -20.649 -15.205  12.155
    3    H3   MET   1           3HT      MET   1 -21.201 -15.402  10.558
    4    HA   MET   1           HA       MET   1 -18.626 -14.193  11.446
    5    HB2  MET   1           2HB      MET   1 -19.160 -16.752  11.259
    6    HB3  MET   1           1HB      MET   1 -19.092 -16.465   9.521
    7    HG2  MET   1           2HG      MET   1 -16.828 -15.160  10.534
    8    HG3  MET   1           1HG      MET   1 -16.912 -16.672  11.436
    9    HE1  MET   1           2HE      MET   1 -15.533 -15.077   8.271
   10    HE2  MET   1           3HE      MET   1 -17.280 -15.002   8.071
   11    HE3  MET   1           1HE      MET   1 -16.300 -15.986   6.973
   12    H    ASP   2           H        ASP   2 -17.766 -12.685  10.062
   13    HA   ASP   2           HA       ASP   2 -18.527 -12.659   7.193
   14    HB2  ASP   2           2HB      ASP   2 -20.056 -11.252   8.884
   15    HB3  ASP   2           1HB      ASP   2 -18.760 -10.073   8.669
   16    H    ARG   3           H        ARG   3 -17.241 -10.816   6.061
   17    HA   ARG   3           HA       ARG   3 -14.489 -10.735   7.231
   18    HB2  ARG   3           2HB      ARG   3 -15.380 -11.683   4.842
   19    HB3  ARG   3           1HB      ARG   3 -14.966 -10.028   4.391
   20    HG2  ARG   3           2HG      ARG   3 -12.715 -10.323   5.362
   21    HG3  ARG   3           1HG      ARG   3 -13.126 -11.981   5.806
   22    HD2  ARG   3           2HD      ARG   3 -13.761 -12.076   3.179
   23    HD3  ARG   3           1HD      ARG   3 -12.475 -10.854   3.129
   24    HE   ARG   3           HE       ARG   3 -11.316 -12.709   4.726
   25   HH11  ARG   3          1HH2      ARG   3 -10.343 -12.628   1.979
   26   HH12  ARG   3          2HH2      ARG   3 -10.713 -14.201   1.360
   27   HH21  ARG   3          1HH1      ARG   3 -13.019 -14.917   3.879
   28   HH22  ARG   3          2HH1      ARG   3 -12.248 -15.511   2.448
   29    H    GLU   4           H        GLU   4 -16.598  -8.813   8.024
   30    HA   GLU   4           HA       GLU   4 -16.470  -6.294   6.711
   31    HB2  GLU   4           2HB      GLU   4 -17.517  -7.431   9.096
   32    HB3  GLU   4           1HB      GLU   4 -16.574  -6.028   9.592
   33    HG2  GLU   4           2HG      GLU   4 -18.600  -5.010   9.139
   34    HG3  GLU   4           1HG      GLU   4 -17.831  -4.876   7.560
   35    H    MET   5           H        MET   5 -14.360  -7.702   9.213
   36    HA   MET   5           HA       MET   5 -12.165  -5.852   8.454
   37    HB2  MET   5           2HB      MET   5 -13.853  -5.182  10.476
   38    HB3  MET   5           1HB      MET   5 -12.678  -6.142  11.370
   39    HG2  MET   5           2HG      MET   5 -11.328  -4.342  11.401
   40    HG3  MET   5           1HG      MET   5 -11.152  -4.510   9.656
   41    HE1  MET   5           3HE      MET   5 -12.761  -3.148   7.849
   42    HE2  MET   5           1HE      MET   5 -11.166  -2.665   8.451
   43    HE3  MET   5           2HE      MET   5 -12.446  -1.470   8.277
   44    H    ALA   6           H        ALA   6 -12.568  -8.710   8.086
   45    HA   ALA   6           HA       ALA   6 -10.941 -10.105  10.116
   46    HB1  ALA   6           1HB      ALA   6 -12.280 -10.896   7.512
   47    HB2  ALA   6           2HB      ALA   6 -12.816 -11.273   9.150
   48    HB3  ALA   6           3HB      ALA   6 -11.362 -12.031   8.502
   49    H    ALA   7           H        ALA   7 -10.674  -9.480   6.584
   50    HA   ALA   7           HA       ALA   7  -7.772  -9.018   6.822
   51    HB1  ALA   7           1HB      ALA   7  -7.181 -10.892   5.374
   52    HB2  ALA   7           2HB      ALA   7  -8.880 -11.332   5.199
   53    HB3  ALA   7           3HB      ALA   7  -8.082 -11.502   6.763
   54    H    SER   8           H        SER   8  -7.553  -7.220   5.540
   55    HA   SER   8           HA       SER   8  -8.989  -7.152   2.899
   56    HB2  SER   8           2HB      SER   8  -9.907  -5.697   4.797
   57    HB3  SER   8           1HB      SER   8  -8.406  -4.784   4.698
   58    HG   SER   8           HG       SER   8  -8.914  -4.262   2.575
   59    H    ALA   9           H        ALA   9  -6.266  -8.089   3.367
   60    HA   ALA   9           HA       ALA   9  -4.058  -7.780   2.635
   61    HB1  ALA   9           1HB      ALA   9  -5.508  -7.701   0.555
   62    HB2  ALA   9           2HB      ALA   9  -3.955  -6.880   0.398
   63    HB3  ALA   9           3HB      ALA   9  -5.427  -5.941   0.649
   64    H    GLY  10           H        GLY  10  -4.088  -6.411   4.826
   65    HA2  GLY  10           2HA      GLY  10  -3.254  -4.557   6.005
   66    HA3  GLY  10           1HA      GLY  10  -2.330  -4.206   4.546
   67    H    GLY  11           H        GLY  11  -5.864  -4.281   4.578
   68    HA2  GLY  11           2HA      GLY  11  -7.423  -2.598   4.147
   69    HA3  GLY  11           1HA      GLY  11  -6.348  -1.524   5.045
   70    H    ALA  12           H        ALA  12  -5.208  -3.197   2.155
   71    HA   ALA  12           HA       ALA  12  -4.378  -2.373   0.124
   72    HB1  ALA  12           1HB      ALA  12  -5.981  -1.108  -1.105
   73    HB2  ALA  12           2HB      ALA  12  -6.627  -0.362   0.357
   74    HB3  ALA  12           3HB      ALA  12  -6.932  -2.068   0.029
   75    H    VAL  13           H        VAL  13  -3.473  -1.124   2.701
   76    HA   VAL  13           HA       VAL  13  -2.209   1.343   1.587
   77    HB   VAL  13           HB       VAL  13  -3.692   0.951   4.215
   78   HG11  VAL  13          1HG1      VAL  13  -3.000   3.415   4.571
   79   HG12  VAL  13          2HG1      VAL  13  -1.757   3.111   3.357
   80   HG13  VAL  13          3HG1      VAL  13  -1.769   2.184   4.857
   81   HG21  VAL  13          3HG2      VAL  13  -4.031   2.908   1.917
   82   HG22  VAL  13          1HG2      VAL  13  -4.953   2.957   3.420
   83   HG23  VAL  13          2HG2      VAL  13  -5.118   1.583   2.328
   84    H    PHE  14           H        PHE  14  -2.366  -0.737   4.495
   85    HA   PHE  14           HA       PHE  14   0.315  -0.506   5.365
   86    HB2  PHE  14           2HB      PHE  14  -1.790  -1.543   6.455
   87    HB3  PHE  14           1HB      PHE  14  -1.368  -3.007   5.570
   88    HD1  PHE  14           1HD      PHE  14   0.101  -0.462   7.895
   89    HD2  PHE  14           2HD      PHE  14   0.222  -4.504   6.446
   90    HE1  PHE  14           1HE      PHE  14   1.793  -1.027   9.614
   91    HE2  PHE  14           2HE      PHE  14   1.913  -5.069   8.168
   92    HZ   PHE  14           HZ       PHE  14   2.699  -3.331   9.753
   93    H    VAL  15           H        VAL  15  -1.096  -2.582   2.838
   94    HA   VAL  15           HA       VAL  15   1.019  -4.439   2.460
   95    HB   VAL  15           HB       VAL  15  -1.127  -3.187   0.732
   96   HG11  VAL  15          1HG1      VAL  15  -0.366  -5.143  -0.906
   97   HG12  VAL  15          2HG1      VAL  15   1.216  -4.819  -0.200
   98   HG13  VAL  15          3HG1      VAL  15   0.344  -3.535  -1.035
   99   HG21  VAL  15          3HG2      VAL  15  -0.578  -6.082   1.424
  100   HG22  VAL  15          1HG2      VAL  15  -2.087  -5.366   0.860
  101   HG23  VAL  15          2HG2      VAL  15  -1.496  -5.013   2.484
  102    H    GLY  16           H        GLY  16   0.578  -1.156   1.086
  103    HA2  GLY  16           2HA      GLY  16   3.034  -1.165  -0.434
  104    HA3  GLY  16           1HA      GLY  16   2.083   0.264  -0.023
  105    H    LEU  17           H        LEU  17   2.152  -0.147   2.859
  106    HA   LEU  17           HA       LEU  17   4.583   1.218   3.542
  107    HB2  LEU  17           2HB      LEU  17   2.289  -0.067   4.965
  108    HB3  LEU  17           1HB      LEU  17   3.734   0.279   5.912
  109    HG   LEU  17           HG       LEU  17   3.539   2.636   4.662
  110   HD11  LEU  17          1HD1      LEU  17   1.083   3.242   4.593
  111   HD12  LEU  17          2HD1      LEU  17   0.723   1.520   4.717
  112   HD13  LEU  17          3HD1      LEU  17   1.602   2.139   3.319
  113   HD21  LEU  17          3HD2      LEU  17   2.006   1.679   7.095
  114   HD22  LEU  17          1HD2      LEU  17   2.115   3.382   6.646
  115   HD23  LEU  17          2HD2      LEU  17   3.576   2.483   7.055
  116    H    VAL  18           H        VAL  18   3.602  -2.210   3.940
  117    HA   VAL  18           HA       VAL  18   5.961  -3.150   5.264
  118    HB   VAL  18           HB       VAL  18   3.947  -4.460   3.402
  119   HG11  VAL  18          1HG1      VAL  18   5.665  -6.025   3.287
  120   HG12  VAL  18          2HG1      VAL  18   4.831  -6.563   4.744
  121   HG13  VAL  18          3HG1      VAL  18   6.301  -5.598   4.876
  122   HG21  VAL  18          3HG2      VAL  18   3.275  -3.474   5.692
  123   HG22  VAL  18          1HG2      VAL  18   4.236  -4.773   6.396
  124   HG23  VAL  18          2HG2      VAL  18   2.840  -5.155   5.387
  125    H    LEU  19           H        LEU  19   5.153  -2.877   1.801
  126    HA   LEU  19           HA       LEU  19   7.545  -4.051   0.726
  127    HB2  LEU  19           2HB      LEU  19   5.369  -3.627  -0.443
  128    HB3  LEU  19           1HB      LEU  19   5.726  -1.902  -0.410
  129    HG   LEU  19           HG       LEU  19   7.940  -2.546  -1.600
  130   HD11  LEU  19          1HD1      LEU  19   7.667  -4.615  -3.014
  131   HD12  LEU  19          2HD1      LEU  19   6.262  -5.034  -2.034
  132   HD13  LEU  19          3HD1      LEU  19   7.859  -4.947  -1.293
  133   HD21  LEU  19          3HD2      LEU  19   6.823  -2.449  -3.788
  134   HD22  LEU  19          1HD2      LEU  19   6.042  -1.343  -2.658
  135   HD23  LEU  19          2HD2      LEU  19   5.288  -2.891  -3.040
  136    H    LEU  20           H        LEU  20   6.723  -0.751   1.750
  137    HA   LEU  20           HA       LEU  20   9.041   0.599   0.704
  138    HB2  LEU  20           2HB      LEU  20   6.763   1.483   1.548
  139    HB3  LEU  20           1HB      LEU  20   7.460   1.362   3.164
  140    HG   LEU  20           HG       LEU  20   9.471   2.678   1.976
  141   HD11  LEU  20          1HD1      LEU  20   6.986   3.556   0.469
  142   HD12  LEU  20          2HD1      LEU  20   8.358   2.699  -0.233
  143   HD13  LEU  20          3HD1      LEU  20   8.566   4.335   0.389
  144   HD21  LEU  20          3HD2      LEU  20   7.977   3.327   3.957
  145   HD22  LEU  20          1HD2      LEU  20   6.947   4.147   2.783
  146   HD23  LEU  20          2HD2      LEU  20   8.619   4.663   3.002
  147    H    THR  21           H        THR  21   8.308  -0.754   3.948
  148    HA   THR  21           HA       THR  21  10.821  -0.033   5.165
  149    HB   THR  21           HB       THR  21   8.863  -2.255   5.835
  150    HG1  THR  21           1HG      THR  21   8.964   0.434   6.750
  151   HG21  THR  21          3HG2      THR  21  10.627  -2.684   7.260
  152   HG22  THR  21          1HG2      THR  21   9.757  -1.484   8.214
  153   HG23  THR  21          2HG2      THR  21  11.169  -1.006   7.272
  154    H    LEU  22           H        LEU  22   9.893  -2.706   3.069
  155    HA   LEU  22           HA       LEU  22  11.888  -4.624   3.779
  156    HB2  LEU  22           2HB      LEU  22   9.788  -4.386   1.977
  157    HB3  LEU  22           1HB      LEU  22  11.203  -4.470   0.929
  158    HG   LEU  22           HG       LEU  22  11.918  -6.461   2.466
  159   HD11  LEU  22          1HD1      LEU  22  10.327  -6.384   4.209
  160   HD12  LEU  22          2HD1      LEU  22   9.743  -7.688   3.178
  161   HD13  LEU  22          3HD1      LEU  22   8.988  -6.096   3.099
  162   HD21  LEU  22          3HD2      LEU  22   9.577  -6.709   0.546
  163   HD22  LEU  22          1HD2      LEU  22  10.668  -8.013   1.013
  164   HD23  LEU  22          2HD2      LEU  22  11.276  -6.647   0.079
  165    H    SER  23           H        SER  23  11.947  -2.199   1.107
  166    HA   SER  23           HA       SER  23  14.875  -1.905   1.461
  167    HB2  SER  23           2HB      SER  23  14.154  -3.891  -0.110
  168    HB3  SER  23           1HB      SER  23  13.826  -2.611  -1.271
  169    HG   SER  23           HG       SER  23  15.956  -2.017  -1.187
  170    HA   PRO  24           HA       PRO  24  12.708   1.941   0.058
  171    HB2  PRO  24           2HB      PRO  24  13.459   3.535   2.147
  172    HB3  PRO  24           1HB      PRO  24  12.014   2.507   2.184
  173    HG2  PRO  24           2HG      PRO  24  14.616   2.138   3.513
  174    HG3  PRO  24           1HG      PRO  24  13.006   1.585   3.991
  175    HD2  PRO  24           2HD      PRO  24  15.010   0.033   2.805
  176    HD3  PRO  24           1HD      PRO  24  13.302  -0.414   3.000
  177    H    HIS  25           H        HIS  25  14.633   1.448  -1.475
  178    HA   HIS  25           HA       HIS  25  16.561   2.124  -2.608
  179    HB2  HIS  25           2HB      HIS  25  15.275   4.474  -1.396
  180    HB3  HIS  25           1HB      HIS  25  16.982   4.729  -1.758
  181    HD1  HIS  25           1HD      HIS  25  13.748   3.691  -3.449
  182    HD2  HIS  25           2HD      HIS  25  17.576   4.984  -4.480
  183    HE1  HIS  25           1HE      HIS  25  13.713   4.105  -5.946
  184    H    TYR  26           H        TYR  26  17.515   0.503  -0.920
  185    HA   TYR  26           HA       TYR  26  19.275   1.688   1.129
  186    HB2  TYR  26           2HB      TYR  26  17.909  -0.604   1.013
  187    HB3  TYR  26           1HB      TYR  26  19.398  -1.174   0.264
  188    HD1  TYR  26           1HD      TYR  26  21.612  -0.745   1.491
  189    HD2  TYR  26           2HD      TYR  26  17.763  -0.332   3.355
  190    HE1  TYR  26           1HE      TYR  26  22.675  -0.908   3.726
  191    HE2  TYR  26           2HE      TYR  26  18.827  -0.495   5.588
  192    HH   TYR  26           HH       TYR  26  21.584   0.089   6.355
  193    H    LYS  27           H        LYS  27  19.594   0.094  -2.048
  194    HA   LYS  27           HA       LYS  27  22.535   0.321  -2.004
  195    HB2  LYS  27           2HB      LYS  27  22.411  -0.950  -4.049
  196    HB3  LYS  27           1HB      LYS  27  21.247  -1.639  -2.927
  197    HG2  LYS  27           2HG      LYS  27  19.786  -1.463  -4.658
  198    HG3  LYS  27           1HG      LYS  27  19.712   0.243  -4.222
  199    HD2  LYS  27           2HD      LYS  27  21.870   0.392  -5.763
  200    HD3  LYS  27           1HD      LYS  27  21.198  -1.079  -6.464
  201    HE2  LYS  27           2HE      LYS  27  20.099   0.478  -7.783
  202    HE3  LYS  27           1HE      LYS  27  18.950   0.420  -6.433
  203    HZ1  LYS  27           3HZ      LYS  27  20.167   2.237  -5.366
  204    HZ2  LYS  27           1HZ      LYS  27  19.588   2.702  -6.892
  205    HZ3  LYS  27           2HZ      LYS  27  21.230   2.316  -6.694
  Start of MODEL   29
    1    H1   MET   1           1HT      MET   1 -19.914  -2.359   6.663
    2    H2   MET   1           2HT      MET   1 -18.495  -1.921   5.829
    3    H3   MET   1           3HT      MET   1 -18.460  -3.171   6.977
    4    HA   MET   1           HA       MET   1 -19.816  -4.585   5.601
    5    HB2  MET   1           2HB      MET   1 -20.399  -1.971   4.470
    6    HB3  MET   1           1HB      MET   1 -19.967  -3.113   3.201
    7    HG2  MET   1           2HG      MET   1 -21.898  -3.956   5.342
    8    HG3  MET   1           1HG      MET   1 -22.462  -2.961   4.000
    9    HE1  MET   1           2HE      MET   1 -23.893  -5.352   4.352
   10    HE2  MET   1           3HE      MET   1 -23.793  -6.370   2.920
   11    HE3  MET   1           1HE      MET   1 -24.058  -4.626   2.756
   12    H    ASP   2           H        ASP   2 -18.669  -5.997   4.228
   13    HA   ASP   2           HA       ASP   2 -15.850  -5.729   3.948
   14    HB2  ASP   2           2HB      ASP   2 -17.311  -7.817   3.913
   15    HB3  ASP   2           1HB      ASP   2 -17.672  -7.431   2.230
   16    H    ARG   3           H        ARG   3 -18.376  -5.375   1.409
   17    HA   ARG   3           HA       ARG   3 -16.517  -4.535  -0.656
   18    HB2  ARG   3           2HB      ARG   3 -18.809  -5.626  -0.896
   19    HB3  ARG   3           1HB      ARG   3 -19.504  -4.051  -0.510
   20    HG2  ARG   3           2HG      ARG   3 -17.533  -3.596  -2.503
   21    HG3  ARG   3           1HG      ARG   3 -18.465  -4.995  -3.029
   22    HD2  ARG   3           2HD      ARG   3 -19.637  -3.094  -3.894
   23    HD3  ARG   3           1HD      ARG   3 -20.568  -3.594  -2.470
   24    HE   ARG   3           HE       ARG   3 -19.546  -1.766  -1.208
   25   HH11  ARG   3          1HH2      ARG   3 -20.592  -0.474  -3.776
   26   HH12  ARG   3          2HH2      ARG   3 -19.256   0.539  -4.204
   27   HH21  ARG   3          1HH1      ARG   3 -17.016  -1.073  -2.077
   28   HH22  ARG   3          2HH1      ARG   3 -17.217   0.199  -3.237
   29    H    GLU   4           H        GLU   4 -18.557  -2.803   1.681
   30    HA   GLU   4           HA       GLU   4 -18.502  -0.170   0.668
   31    HB2  GLU   4           2HB      GLU   4 -19.861  -0.728   2.534
   32    HB3  GLU   4           1HB      GLU   4 -18.508  -1.418   3.417
   33    HG2  GLU   4           2HG      GLU   4 -17.594   1.092   3.247
   34    HG3  GLU   4           1HG      GLU   4 -19.319   1.441   3.116
   35    H    MET   5           H        MET   5 -16.180  -1.617   3.003
   36    HA   MET   5           HA       MET   5 -14.285   0.598   2.559
   37    HB2  MET   5           2HB      MET   5 -13.022  -0.467   4.353
   38    HB3  MET   5           1HB      MET   5 -14.722  -0.397   4.800
   39    HG2  MET   5           2HG      MET   5 -14.928  -2.789   3.952
   40    HG3  MET   5           1HG      MET   5 -13.173  -2.807   3.821
   41    HE1  MET   5           3HE      MET   5 -11.694  -3.607   5.663
   42    HE2  MET   5           1HE      MET   5 -12.961  -4.785   5.277
   43    HE3  MET   5           2HE      MET   5 -12.497  -4.500   6.951
   44    H    ALA   6           H        ALA   6 -14.638  -2.787   1.588
   45    HA   ALA   6           HA       ALA   6 -13.448  -4.149   0.116
   46    HB1  ALA   6           1HB      ALA   6 -14.250  -2.226  -1.274
   47    HB2  ALA   6           2HB      ALA   6 -12.800  -3.005  -1.910
   48    HB3  ALA   6           3HB      ALA   6 -12.671  -1.468  -1.055
   49    H    ALA   7           H        ALA   7 -11.946  -3.278   2.551
   50    HA   ALA   7           HA       ALA   7  -9.790  -3.366   3.462
   51    HB1  ALA   7           1HB      ALA   7  -9.355  -4.980   0.941
   52    HB2  ALA   7           2HB      ALA   7 -10.098  -5.588   2.421
   53    HB3  ALA   7           3HB      ALA   7  -8.407  -5.084   2.423
   54    H    SER   8           H        SER   8 -10.225  -0.985   1.885
   55    HA   SER   8           HA       SER   8  -7.841  -0.532   0.211
   56    HB2  SER   8           2HB      SER   8 -10.058   0.437  -0.301
   57    HB3  SER   8           1HB      SER   8 -10.036   1.305   1.228
   58    HG   SER   8           HG       SER   8  -9.318   2.480  -0.728
   59    H    ALA   9           H        ALA   9  -9.096   1.084   3.171
   60    HA   ALA   9           HA       ALA   9  -6.535   2.335   3.773
   61    HB1  ALA   9           1HB      ALA   9  -8.780   3.273   4.339
   62    HB2  ALA   9           2HB      ALA   9  -7.741   3.129   5.756
   63    HB3  ALA   9           3HB      ALA   9  -9.020   1.947   5.477
   64    H    GLY  10           H        GLY  10  -8.442  -0.234   5.415
   65    HA2  GLY  10           2HA      GLY  10  -6.060  -1.026   6.977
   66    HA3  GLY  10           1HA      GLY  10  -7.696  -1.651   7.192
   67    H    GLY  11           H        GLY  11  -5.020  -1.689   4.800
   68    HA2  GLY  11           2HA      GLY  11  -4.675  -4.413   4.558
   69    HA3  GLY  11           1HA      GLY  11  -6.053  -4.093   3.508
   70    H    ALA  12           H        ALA  12  -5.727  -2.444   1.792
   71    HA   ALA  12           HA       ALA  12  -3.438  -2.939   0.175
   72    HB1  ALA  12           1HB      ALA  12  -4.366  -0.658  -0.857
   73    HB2  ALA  12           2HB      ALA  12  -5.704  -0.997   0.239
   74    HB3  ALA  12           3HB      ALA  12  -5.263  -2.169  -1.003
   75    H    VAL  13           H        VAL  13  -4.177  -0.039   2.163
   76    HA   VAL  13           HA       VAL  13  -1.787   1.420   1.583
   77    HB   VAL  13           HB       VAL  13  -3.634   1.361   3.997
   78   HG11  VAL  13          1HG1      VAL  13  -1.489   2.366   4.644
   79   HG12  VAL  13          2HG1      VAL  13  -2.725   3.615   4.509
   80   HG13  VAL  13          3HG1      VAL  13  -1.533   3.413   3.225
   81   HG21  VAL  13          3HG2      VAL  13  -4.403   2.033   1.575
   82   HG22  VAL  13          1HG2      VAL  13  -3.490   3.509   1.891
   83   HG23  VAL  13          2HG2      VAL  13  -4.842   3.068   2.933
   84    H    PHE  14           H        PHE  14  -2.510  -1.018   4.083
   85    HA   PHE  14           HA       PHE  14  -0.028  -0.828   5.524
   86    HB2  PHE  14           2HB      PHE  14  -2.276  -1.935   6.145
   87    HB3  PHE  14           1HB      PHE  14  -1.725  -3.308   5.185
   88    HD1  PHE  14           2HD      PHE  14  -1.007  -1.230   8.173
   89    HD2  PHE  14           1HD      PHE  14   0.037  -4.763   5.961
   90    HE1  PHE  14           2HE      PHE  14   0.358  -2.024  10.084
   91    HE2  PHE  14           1HE      PHE  14   1.401  -5.555   7.873
   92    HZ   PHE  14           HZ       PHE  14   1.563  -4.187   9.935
   93    H    VAL  15           H        VAL  15  -1.057  -2.863   2.758
   94    HA   VAL  15           HA       VAL  15   1.292  -4.499   2.585
   95    HB   VAL  15           HB       VAL  15  -0.706  -3.545   0.500
   96   HG11  VAL  15          1HG1      VAL  15   0.029  -5.500  -0.827
   97   HG12  VAL  15          2HG1      VAL  15   1.292  -5.826   0.360
   98   HG13  VAL  15          3HG1      VAL  15   1.344  -4.347  -0.600
   99   HG21  VAL  15          3HG2      VAL  15  -1.230  -5.077   2.658
  100   HG22  VAL  15          1HG2      VAL  15  -0.642  -6.331   1.564
  101   HG23  VAL  15          2HG2      VAL  15  -2.023  -5.334   1.106
  102    H    GLY  16           H        GLY  16   0.514  -1.313   1.167
  103    HA2  GLY  16           2HA      GLY  16   2.875  -1.066  -0.446
  104    HA3  GLY  16           1HA      GLY  16   1.865   0.275   0.096
  105    H    LEU  17           H        LEU  17   2.131  -0.057   2.901
  106    HA   LEU  17           HA       LEU  17   4.630   1.290   3.400
  107    HB2  LEU  17           2HB      LEU  17   2.219   0.926   4.699
  108    HB3  LEU  17           1HB      LEU  17   3.324  -0.022   5.694
  109    HG   LEU  17           HG       LEU  17   3.887   2.831   4.839
  110   HD11  LEU  17          1HD1      LEU  17   3.237   3.445   7.156
  111   HD12  LEU  17          2HD1      LEU  17   2.709   1.785   7.432
  112   HD13  LEU  17          3HD1      LEU  17   1.878   2.789   6.243
  113   HD21  LEU  17          3HD2      LEU  17   5.924   1.783   5.458
  114   HD22  LEU  17          1HD2      LEU  17   5.156   0.861   6.751
  115   HD23  LEU  17          2HD2      LEU  17   5.404   2.597   6.933
  116    H    VAL  18           H        VAL  18   3.563  -2.087   3.996
  117    HA   VAL  18           HA       VAL  18   5.913  -3.023   5.334
  118    HB   VAL  18           HB       VAL  18   3.886  -4.372   3.509
  119   HG11  VAL  18          1HG1      VAL  18   6.076  -5.643   3.680
  120   HG12  VAL  18          2HG1      VAL  18   4.670  -6.509   4.297
  121   HG13  VAL  18          3HG1      VAL  18   5.797  -5.748   5.419
  122   HG21  VAL  18          3HG2      VAL  18   3.233  -3.314   5.786
  123   HG22  VAL  18          1HG2      VAL  18   4.154  -4.633   6.506
  124   HG23  VAL  18          2HG2      VAL  18   2.753  -4.984   5.496
  125    H    LEU  19           H        LEU  19   5.133  -2.748   1.864
  126    HA   LEU  19           HA       LEU  19   7.507  -4.016   0.833
  127    HB2  LEU  19           2HB      LEU  19   5.244  -3.390  -0.274
  128    HB3  LEU  19           1HB      LEU  19   5.947  -1.788  -0.486
  129    HG   LEU  19           HG       LEU  19   7.961  -3.056  -1.543
  130   HD11  LEU  19          1HD1      LEU  19   7.229  -5.180  -2.665
  131   HD12  LEU  19          2HD1      LEU  19   5.761  -5.139  -1.687
  132   HD13  LEU  19          3HD1      LEU  19   7.334  -5.313  -0.910
  133   HD21  LEU  19          3HD2      LEU  19   6.506  -3.303  -3.728
  134   HD22  LEU  19          1HD2      LEU  19   6.746  -1.708  -3.016
  135   HD23  LEU  19          2HD2      LEU  19   5.240  -2.581  -2.736
  136    H    LEU  20           H        LEU  20   6.715  -0.633   1.649
  137    HA   LEU  20           HA       LEU  20   9.072   0.643   0.670
  138    HB2  LEU  20           2HB      LEU  20   6.820   1.554   1.602
  139    HB3  LEU  20           1HB      LEU  20   7.593   1.437   3.182
  140    HG   LEU  20           HG       LEU  20   9.092   2.801   0.976
  141   HD11  LEU  20          1HD1      LEU  20   6.932   4.161   2.611
  142   HD12  LEU  20          2HD1      LEU  20   6.760   3.718   0.912
  143   HD13  LEU  20          3HD1      LEU  20   7.968   4.909   1.395
  144   HD21  LEU  20          3HD2      LEU  20   8.940   2.837   3.971
  145   HD22  LEU  20          1HD2      LEU  20   9.498   4.290   3.144
  146   HD23  LEU  20          2HD2      LEU  20  10.357   2.766   2.925
  147    H    THR  21           H        THR  21   8.351  -0.770   3.886
  148    HA   THR  21           HA       THR  21  10.925  -0.177   5.066
  149    HB   THR  21           HB       THR  21   8.987  -2.385   5.806
  150    HG1  THR  21           1HG      THR  21   8.881   0.412   6.290
  151   HG21  THR  21          3HG2      THR  21   9.777  -1.941   8.081
  152   HG22  THR  21          1HG2      THR  21  10.817  -0.648   7.485
  153   HG23  THR  21          2HG2      THR  21  11.141  -2.322   7.030
  154    H    LEU  22           H        LEU  22   9.624  -2.966   3.282
  155    HA   LEU  22           HA       LEU  22  11.697  -4.860   3.734
  156    HB2  LEU  22           2HB      LEU  22   9.436  -5.153   2.619
  157    HB3  LEU  22           1HB      LEU  22  10.126  -4.405   1.180
  158    HG   LEU  22           HG       LEU  22  12.002  -6.232   1.482
  159   HD11  LEU  22          1HD1      LEU  22  11.254  -7.113   3.618
  160   HD12  LEU  22          2HD1      LEU  22  10.995  -8.350   2.389
  161   HD13  LEU  22          3HD1      LEU  22   9.634  -7.397   2.979
  162   HD21  LEU  22          3HD2      LEU  22  10.472  -7.847   0.184
  163   HD22  LEU  22          1HD2      LEU  22  10.661  -6.228  -0.488
  164   HD23  LEU  22          2HD2      LEU  22   9.202  -6.645   0.412
  165    H    SER  23           H        SER  23  11.443  -2.238   1.309
  166    HA   SER  23           HA       SER  23  14.020  -2.907   0.068
  167    HB2  SER  23           2HB      SER  23  11.786  -1.693  -0.817
  168    HB3  SER  23           1HB      SER  23  12.674  -0.264  -0.303
  169    HG   SER  23           HG       SER  23  13.470  -0.566  -2.284
  170    HA   PRO  24           HA       PRO  24  16.429  -0.539   2.948
  171    HB2  PRO  24           2HB      PRO  24  18.658  -0.100   1.422
  172    HB3  PRO  24           1HB      PRO  24  18.279  -1.671   2.156
  173    HG2  PRO  24           2HG      PRO  24  17.887  -0.755  -0.643
  174    HG3  PRO  24           1HG      PRO  24  18.406  -2.335  -0.030
  175    HD2  PRO  24           2HD      PRO  24  15.882  -1.824  -0.903
  176    HD3  PRO  24           1HD      PRO  24  16.268  -3.053   0.321
  177    H    HIS  25           H        HIS  25  14.964   1.319   2.918
  178    HA   HIS  25           HA       HIS  25  16.126   3.694   1.553
  179    HB2  HIS  25           2HB      HIS  25  14.294   2.427   0.193
  180    HB3  HIS  25           1HB      HIS  25  13.170   3.111   1.367
  181    HD1  HIS  25           1HD      HIS  25  13.246   5.807   1.584
  182    HD2  HIS  25           2HD      HIS  25  15.061   4.202  -1.808
  183    HE1  HIS  25           1HE      HIS  25  13.508   7.718  -0.061
  184    H    TYR  26           H        TYR  26  16.501   3.503   4.168
  185    HA   TYR  26           HA       TYR  26  14.390   5.228   5.426
  186    HB2  TYR  26           2HB      TYR  26  15.617   2.640   6.296
  187    HB3  TYR  26           1HB      TYR  26  15.247   3.828   7.542
  188    HD1  TYR  26           1HD      TYR  26  13.723   2.114   4.584
  189    HD2  TYR  26           2HD      TYR  26  13.053   4.008   8.380
  190    HE1  TYR  26           1HE      TYR  26  11.339   1.476   4.477
  191    HE2  TYR  26           2HE      TYR  26  10.660   3.362   8.272
  192    HH   TYR  26           HH       TYR  26   8.999   2.804   6.113
  193    H    LYS  27           H        LYS  27  15.253   7.066   6.310
  194    HA   LYS  27           HA       LYS  27  18.171   7.459   6.289
  195    HB2  LYS  27           2HB      LYS  27  17.592   9.779   6.712
  196    HB3  LYS  27           1HB      LYS  27  16.519   9.143   5.473
  197    HG2  LYS  27           2HG      LYS  27  14.863  10.017   6.761
  198    HG3  LYS  27           1HG      LYS  27  15.097   8.580   7.755
  199    HD2  LYS  27           2HD      LYS  27  17.077  10.515   8.497
  200    HD3  LYS  27           1HD      LYS  27  15.503  11.310   8.487
  201    HE2  LYS  27           2HE      LYS  27  14.900  10.259  10.398
  202    HE3  LYS  27           1HE      LYS  27  15.291   8.674   9.704
  203    HZ1  LYS  27           3HZ      LYS  27  16.760   9.078  11.533
  204    HZ2  LYS  27           1HZ      LYS  27  17.203  10.596  10.926
  205    HZ3  LYS  27           2HZ      LYS  27  17.666   9.181  10.101
  Start of MODEL   30
    1    H1   MET   1           1HT      MET   1 -14.700 -13.088   8.074
    2    H2   MET   1           2HT      MET   1 -13.562 -13.939   7.145
    3    H3   MET   1           3HT      MET   1 -15.044 -13.478   6.459
    4    HA   MET   1           HA       MET   1 -12.957 -12.089   5.899
    5    HB2  MET   1           2HB      MET   1 -14.409 -10.106   5.760
    6    HB3  MET   1           1HB      MET   1 -15.303 -11.557   5.318
    7    HG2  MET   1           2HG      MET   1 -16.300 -11.643   7.571
    8    HG3  MET   1           1HG      MET   1 -15.371 -10.221   8.045
    9    HE1  MET   1           2HE      MET   1 -17.825  -9.243   8.800
   10    HE2  MET   1           3HE      MET   1 -18.104  -7.841   7.774
   11    HE3  MET   1           1HE      MET   1 -16.468  -8.223   8.334
   12    H    ASP   2           H        ASP   2 -11.827 -10.161   6.633
   13    HA   ASP   2           HA       ASP   2 -10.599  -8.878   8.148
   14    HB2  ASP   2           2HB      ASP   2 -13.078  -9.416   9.814
   15    HB3  ASP   2           1HB      ASP   2 -11.839  -8.238  10.231
   16    H    ARG   3           H        ARG   3  -8.751  -9.957   8.756
   17    HA   ARG   3           HA       ARG   3  -8.983 -12.070  10.872
   18    HB2  ARG   3           2HB      ARG   3  -8.192 -12.663   8.534
   19    HB3  ARG   3           1HB      ARG   3  -6.768 -11.670   8.849
   20    HG2  ARG   3           2HG      ARG   3  -7.255 -13.494  11.055
   21    HG3  ARG   3           1HG      ARG   3  -7.118 -14.376   9.534
   22    HD2  ARG   3           2HD      ARG   3  -4.961 -13.327   9.060
   23    HD3  ARG   3           1HD      ARG   3  -5.103 -12.319  10.515
   24    HE   ARG   3           HE       ARG   3  -4.965 -15.310  10.614
   25   HH11  ARG   3          1HH2      ARG   3  -5.871 -13.532  12.978
   26   HH12  ARG   3          2HH2      ARG   3  -4.419 -13.479  13.919
   27   HH21  ARG   3          1HH1      ARG   3  -2.413 -14.673  11.318
   28   HH22  ARG   3          2HH1      ARG   3  -2.435 -14.138  12.964
   29    H    GLU   4           H        GLU   4  -8.795 -10.619  12.668
   30    HA   GLU   4           HA       GLU   4  -7.708  -9.231  14.237
   31    HB2  GLU   4           2HB      GLU   4  -5.583 -11.012  13.049
   32    HB3  GLU   4           1HB      GLU   4  -5.213  -9.909  14.372
   33    HG2  GLU   4           2HG      GLU   4  -7.464 -11.064  15.351
   34    HG3  GLU   4           1HG      GLU   4  -6.836 -12.397  14.385
   35    H    MET   5           H        MET   5  -8.227  -7.775  11.958
   36    HA   MET   5           HA       MET   5  -7.651  -5.800  10.841
   37    HB2  MET   5           2HB      MET   5  -6.328  -5.845  13.380
   38    HB3  MET   5           1HB      MET   5  -5.238  -5.104  12.214
   39    HG2  MET   5           2HG      MET   5  -8.138  -4.297  12.559
   40    HG3  MET   5           1HG      MET   5  -6.790  -3.471  13.336
   41    HE1  MET   5           3HE      MET   5  -4.910  -2.578  12.329
   42    HE2  MET   5           1HE      MET   5  -4.867  -1.705  10.788
   43    HE3  MET   5           2HE      MET   5  -4.446  -3.412  10.850
   44    H    ALA   6           H        ALA   6  -6.680  -8.296   9.747
   45    HA   ALA   6           HA       ALA   6  -3.898  -8.121   8.958
   46    HB1  ALA   6           1HB      ALA   6  -4.694  -9.834   7.244
   47    HB2  ALA   6           2HB      ALA   6  -6.314  -9.611   7.903
   48    HB3  ALA   6           3HB      ALA   6  -5.023 -10.237   8.929
   49    H    ALA   7           H        ALA   7  -6.947  -7.132   7.359
   50    HA   ALA   7           HA       ALA   7  -5.600  -5.061   5.829
   51    HB1  ALA   7           1HB      ALA   7  -6.338  -6.242   3.617
   52    HB2  ALA   7           2HB      ALA   7  -6.318  -7.709   4.598
   53    HB3  ALA   7           3HB      ALA   7  -4.845  -6.756   4.402
   54    H    SER   8           H        SER   8  -7.391  -4.007   7.043
   55    HA   SER   8           HA       SER   8  -9.990  -4.190   5.561
   56    HB2  SER   8           2HB      SER   8 -11.075  -3.777   7.795
   57    HB3  SER   8           1HB      SER   8 -10.224  -5.310   7.701
   58    HG   SER   8           HG       SER   8  -9.883  -3.767   9.589
   59    H    ALA   9           H        ALA   9 -10.410  -2.279   4.604
   60    HA   ALA   9           HA       ALA   9 -10.574   0.009   4.170
   61    HB1  ALA   9           1HB      ALA   9  -9.763   0.479   7.049
   62    HB2  ALA   9           2HB      ALA   9 -11.368  -0.118   6.631
   63    HB3  ALA   9           3HB      ALA   9 -10.831   1.452   6.039
   64    H    GLY  10           H        GLY  10  -7.905  -0.099   6.580
   65    HA2  GLY  10           2HA      GLY  10  -6.162   1.285   4.614
   66    HA3  GLY  10           1HA      GLY  10  -5.856   1.151   6.347
   67    H    GLY  11           H        GLY  11  -6.892  -1.792   4.800
   68    HA2  GLY  11           2HA      GLY  11  -4.491  -3.191   5.497
   69    HA3  GLY  11           1HA      GLY  11  -5.774  -3.813   4.457
   70    H    ALA  12           H        ALA  12  -5.787  -2.156   2.321
   71    HA   ALA  12           HA       ALA  12  -3.620  -3.013   0.686
   72    HB1  ALA  12           1HB      ALA  12  -4.489  -1.254  -0.865
   73    HB2  ALA  12           2HB      ALA  12  -5.474  -0.619   0.453
   74    HB3  ALA  12           3HB      ALA  12  -5.779  -2.239  -0.176
   75    H    VAL  13           H        VAL  13  -4.091   0.068   2.445
   76    HA   VAL  13           HA       VAL  13  -1.733   1.420   1.535
   77    HB   VAL  13           HB       VAL  13  -3.203   1.599   4.196
   78   HG11  VAL  13          1HG1      VAL  13  -1.041   2.748   4.273
   79   HG12  VAL  13          2HG1      VAL  13  -2.342   3.936   4.210
   80   HG13  VAL  13          3HG1      VAL  13  -1.404   3.580   2.760
   81   HG21  VAL  13          3HG2      VAL  13  -4.165   3.682   2.873
   82   HG22  VAL  13          1HG2      VAL  13  -4.874   2.084   2.641
   83   HG23  VAL  13          2HG2      VAL  13  -3.732   2.723   1.459
   84    H    PHE  14           H        PHE  14  -2.311  -0.786   4.287
   85    HA   PHE  14           HA       PHE  14   0.296  -0.621   5.473
   86    HB2  PHE  14           2HB      PHE  14  -2.085  -1.757   6.118
   87    HB3  PHE  14           1HB      PHE  14  -1.200  -3.189   5.589
   88    HD1  PHE  14           1HD      PHE  14   0.960  -3.805   6.681
   89    HD2  PHE  14           2HD      PHE  14  -1.503  -0.604   8.146
   90    HE1  PHE  14           1HE      PHE  14   2.192  -3.841   8.832
   91    HE2  PHE  14           2HE      PHE  14  -0.272  -0.639  10.295
   92    HZ   PHE  14           HZ       PHE  14   1.578  -2.258  10.639
   93    H    VAL  15           H        VAL  15  -1.033  -2.735   2.914
   94    HA   VAL  15           HA       VAL  15   1.169  -4.539   2.640
   95    HB   VAL  15           HB       VAL  15  -0.765  -3.414   0.572
   96   HG11  VAL  15          1HG1      VAL  15  -0.284  -5.451  -0.715
   97   HG12  VAL  15          2HG1      VAL  15   0.888  -5.959   0.503
   98   HG13  VAL  15          3HG1      VAL  15   1.193  -4.518  -0.468
   99   HG21  VAL  15          3HG2      VAL  15  -1.208  -6.146   1.499
  100   HG22  VAL  15          1HG2      VAL  15  -2.335  -4.792   1.440
  101   HG23  VAL  15          2HG2      VAL  15  -1.271  -4.994   2.831
  102    H    GLY  16           H        GLY  16   0.522  -1.362   1.130
  103    HA2  GLY  16           2HA      GLY  16   2.909  -1.258  -0.468
  104    HA3  GLY  16           1HA      GLY  16   1.931   0.135   0.001
  105    H    LEU  17           H        LEU  17   2.140  -0.234   2.852
  106    HA   LEU  17           HA       LEU  17   4.585   1.165   3.429
  107    HB2  LEU  17           2HB      LEU  17   2.441  -0.220   5.036
  108    HB3  LEU  17           1HB      LEU  17   3.851   0.465   5.838
  109    HG   LEU  17           HG       LEU  17   2.088   2.049   3.949
  110   HD11  LEU  17          1HD1      LEU  17   2.043   2.117   6.978
  111   HD12  LEU  17          2HD1      LEU  17   0.892   1.187   6.018
  112   HD13  LEU  17          3HD1      LEU  17   0.950   2.943   5.866
  113   HD21  LEU  17          3HD2      LEU  17   4.322   2.708   5.885
  114   HD22  LEU  17          1HD2      LEU  17   3.188   3.937   5.327
  115   HD23  LEU  17          2HD2      LEU  17   4.217   3.098   4.169
  116    H    VAL  18           H        VAL  18   3.615  -2.256   3.848
  117    HA   VAL  18           HA       VAL  18   5.965  -3.204   5.174
  118    HB   VAL  18           HB       VAL  18   3.891  -4.445   3.343
  119   HG11  VAL  18          1HG1      VAL  18   5.650  -5.963   3.007
  120   HG12  VAL  18          2HG1      VAL  18   4.817  -6.649   4.401
  121   HG13  VAL  18          3HG1      VAL  18   6.299  -5.720   4.629
  122   HG21  VAL  18          3HG2      VAL  18   3.089  -5.436   5.443
  123   HG22  VAL  18          1HG2      VAL  18   3.191  -3.683   5.601
  124   HG23  VAL  18          2HG2      VAL  18   4.434  -4.705   6.320
  125    H    LEU  19           H        LEU  19   5.193  -2.802   1.719
  126    HA   LEU  19           HA       LEU  19   7.586  -3.984   0.634
  127    HB2  LEU  19           2HB      LEU  19   5.360  -3.413  -0.484
  128    HB3  LEU  19           1HB      LEU  19   5.902  -1.738  -0.517
  129    HG   LEU  19           HG       LEU  19   7.832  -3.734  -1.574
  130   HD11  LEU  19          1HD1      LEU  19   5.295  -2.999  -3.073
  131   HD12  LEU  19          2HD1      LEU  19   5.696  -4.604  -2.457
  132   HD13  LEU  19          3HD1      LEU  19   6.667  -3.885  -3.741
  133   HD21  LEU  19          3HD2      LEU  19   7.517  -1.734  -3.425
  134   HD22  LEU  19          1HD2      LEU  19   8.635  -1.652  -2.062
  135   HD23  LEU  19          2HD2      LEU  19   7.042  -0.903  -1.944
  136    H    LEU  20           H        LEU  20   6.715  -0.620   1.501
  137    HA   LEU  20           HA       LEU  20   9.211   0.587   0.695
  138    HB2  LEU  20           2HB      LEU  20   6.759   1.490   1.356
  139    HB3  LEU  20           1HB      LEU  20   7.565   1.738   2.905
  140    HG   LEU  20           HG       LEU  20   9.407   2.940   1.639
  141   HD11  LEU  20          1HD1      LEU  20   7.389   2.570  -0.581
  142   HD12  LEU  20          2HD1      LEU  20   9.109   2.182  -0.597
  143   HD13  LEU  20          3HD1      LEU  20   8.585   3.866  -0.613
  144   HD21  LEU  20          3HD2      LEU  20   6.648   4.166   1.327
  145   HD22  LEU  20          1HD2      LEU  20   8.177   5.022   1.533
  146   HD23  LEU  20          2HD2      LEU  20   7.510   4.078   2.864
  147    H    THR  21           H        THR  21   8.063  -0.875   3.726
  148    HA   THR  21           HA       THR  21  10.275  -0.022   5.386
  149    HB   THR  21           HB       THR  21   8.224  -2.256   5.537
  150    HG1  THR  21           1HG      THR  21   7.230  -0.391   5.932
  151   HG21  THR  21          3HG2      THR  21   8.916  -2.245   8.026
  152   HG22  THR  21          1HG2      THR  21  10.413  -1.497   7.468
  153   HG23  THR  21          2HG2      THR  21   9.962  -3.103   6.894
  154    H    LEU  22           H        LEU  22   9.666  -2.895   3.354
  155    HA   LEU  22           HA       LEU  22  11.912  -4.482   4.117
  156    HB2  LEU  22           2HB      LEU  22   9.940  -5.180   2.753
  157    HB3  LEU  22           1HB      LEU  22  10.552  -4.214   1.412
  158    HG   LEU  22           HG       LEU  22  12.539  -6.074   2.548
  159   HD11  LEU  22          1HD1      LEU  22  10.440  -7.409   2.775
  160   HD12  LEU  22          2HD1      LEU  22  11.559  -8.090   1.594
  161   HD13  LEU  22          3HD1      LEU  22  10.147  -7.184   1.050
  162   HD21  LEU  22          3HD2      LEU  22  11.991  -4.705   0.119
  163   HD22  LEU  22          1HD2      LEU  22  11.915  -6.428  -0.248
  164   HD23  LEU  22          2HD2      LEU  22  13.370  -5.743   0.477
  165    H    SER  23           H        SER  23  11.594  -2.011   1.531
  166    HA   SER  23           HA       SER  23  14.378  -2.234   0.693
  167    HB2  SER  23           2HB      SER  23  13.560   0.137  -0.318
  168    HB3  SER  23           1HB      SER  23  13.114  -1.401  -1.033
  169    HG   SER  23           HG       SER  23  11.613   0.129   0.853
  170    HA   PRO  24           HA       PRO  24  16.203   0.493   3.648
  171    HB2  PRO  24           2HB      PRO  24  18.185   1.676   2.189
  172    HB3  PRO  24           1HB      PRO  24  18.240  -0.016   2.722
  173    HG2  PRO  24           2HG      PRO  24  17.586   1.101   0.056
  174    HG3  PRO  24           1HG      PRO  24  18.451  -0.384   0.483
  175    HD2  PRO  24           2HD      PRO  24  15.840  -0.297  -0.345
  176    HD3  PRO  24           1HD      PRO  24  16.543  -1.604   0.633
  177    H    HIS  25           H        HIS  25  13.867   1.666   2.970
  178    HA   HIS  25           HA       HIS  25  14.545   4.559   2.613
  179    HB2  HIS  25           2HB      HIS  25  13.429   3.018   0.662
  180    HB3  HIS  25           1HB      HIS  25  11.977   3.555   1.507
  181    HD1  HIS  25           1HD      HIS  25  14.814   4.788  -0.587
  182    HD2  HIS  25           2HD      HIS  25  11.528   6.388   1.421
  183    HE1  HIS  25           1HE      HIS  25  14.570   7.176  -1.400
  184    H    TYR  26           H        TYR  26  13.825   2.703   4.976
  185    HA   TYR  26           HA       TYR  26  11.466   4.257   5.979
  186    HB2  TYR  26           2HB      TYR  26  11.509   1.605   5.320
  187    HB3  TYR  26           1HB      TYR  26  11.967   1.529   7.020
  188    HD1  TYR  26           1HD      TYR  26   9.393   2.871   4.674
  189    HD2  TYR  26           2HD      TYR  26  10.366   1.861   8.737
  190    HE1  TYR  26           1HE      TYR  26   7.027   3.226   5.332
  191    HE2  TYR  26           2HE      TYR  26   8.002   2.214   9.389
  192    HH   TYR  26           HH       TYR  26   5.592   2.096   7.716
  193    H    LYS  27           H        LYS  27  11.414   4.219   8.438
  194    HA   LYS  27           HA       LYS  27  14.179   4.539   9.533
  195    HB2  LYS  27           2HB      LYS  27  13.179   6.132  11.059
  196    HB3  LYS  27           1HB      LYS  27  12.651   6.513   9.425
  197    HG2  LYS  27           2HG      LYS  27  10.501   6.321  10.056
  198    HG3  LYS  27           1HG      LYS  27  10.777   4.656  10.562
  199    HD2  LYS  27           2HD      LYS  27  11.704   6.861  12.365
  200    HD3  LYS  27           1HD      LYS  27   9.981   6.498  12.304
  201    HE2  LYS  27           2HE      LYS  27  11.155   3.973  12.492
  202    HE3  LYS  27           1HE      LYS  27  12.138   4.977  13.575
  203    HZ1  LYS  27           3HZ      LYS  27   9.173   4.757  13.575
  204    HZ2  LYS  27           1HZ      LYS  27  10.049   5.857  14.523
  205    HZ3  LYS  27           2HZ      LYS  27  10.234   4.189  14.775
  Start of MODEL   31
    1    H1   MET   1           1HT      MET   1  -6.391 -16.644   0.491
    2    H2   MET   1           2HT      MET   1  -7.760 -17.496   1.022
    3    H3   MET   1           3HT      MET   1  -7.774 -16.707  -0.485
    4    HA   MET   1           HA       MET   1  -6.004 -19.008   0.206
    5    HB2  MET   1           2HB      MET   1  -8.768 -18.719  -0.853
    6    HB3  MET   1           1HB      MET   1  -7.741 -19.880  -1.690
    7    HG2  MET   1           2HG      MET   1  -8.459 -21.297  -0.054
    8    HG3  MET   1           1HG      MET   1  -7.180 -20.533   0.887
    9    HE1  MET   1           2HE      MET   1 -11.707 -19.901   1.121
   10    HE2  MET   1           3HE      MET   1 -10.841 -21.306   0.507
   11    HE3  MET   1           1HE      MET   1 -10.797 -19.772  -0.380
   12    H    ASP   2           H        ASP   2  -5.070 -19.922  -1.821
   13    HA   ASP   2           HA       ASP   2  -3.721 -19.687  -3.727
   14    HB2  ASP   2           2HB      ASP   2  -6.241 -18.160  -4.406
   15    HB3  ASP   2           1HB      ASP   2  -5.007 -18.563  -5.599
   16    H    ARG   3           H        ARG   3  -3.041 -17.812  -1.675
   17    HA   ARG   3           HA       ARG   3  -1.757 -15.887  -1.325
   18    HB2  ARG   3           2HB      ARG   3  -1.281 -16.785  -4.108
   19    HB3  ARG   3           1HB      ARG   3  -0.757 -15.142  -3.742
   20    HG2  ARG   3           2HG      ARG   3  -0.088 -17.290  -1.774
   21    HG3  ARG   3           1HG      ARG   3   0.828 -17.234  -3.280
   22    HD2  ARG   3           2HD      ARG   3   1.776 -15.163  -2.793
   23    HD3  ARG   3           1HD      ARG   3   0.434 -14.682  -1.737
   24    HE   ARG   3           HE       ARG   3   1.366 -16.014   0.028
   25   HH11  ARG   3          1HH2      ARG   3   3.920 -14.819  -1.084
   26   HH12  ARG   3          2HH2      ARG   3   4.936 -16.215  -1.210
   27   HH21  ARG   3          1HH1      ARG   3   2.295 -18.474  -0.935
   28   HH22  ARG   3          2HH1      ARG   3   4.008 -18.305  -1.123
   29    H    GLU   4           H        GLU   4  -4.739 -15.603  -2.319
   30    HA   GLU   4           HA       GLU   4  -4.677 -12.912  -3.554
   31    HB2  GLU   4           2HB      GLU   4  -6.897 -14.790  -2.668
   32    HB3  GLU   4           1HB      GLU   4  -7.178 -13.242  -3.461
   33    HG2  GLU   4           2HG      GLU   4  -5.933 -13.987  -5.433
   34    HG3  GLU   4           1HG      GLU   4  -5.557 -15.519  -4.642
   35    H    MET   5           H        MET   5  -6.068 -14.401  -0.601
   36    HA   MET   5           HA       MET   5  -6.389 -11.768   0.696
   37    HB2  MET   5           2HB      MET   5  -7.084 -14.636   1.303
   38    HB3  MET   5           1HB      MET   5  -7.215 -13.405   2.557
   39    HG2  MET   5           2HG      MET   5  -9.059 -12.474   1.618
   40    HG3  MET   5           1HG      MET   5  -8.412 -12.611  -0.017
   41    HE1  MET   5           3HE      MET   5 -11.373 -12.965   0.475
   42    HE2  MET   5           1HE      MET   5 -11.767 -14.449  -0.410
   43    HE3  MET   5           2HE      MET   5 -10.647 -13.279  -1.099
   44    H    ALA   6           H        ALA   6  -3.641 -13.415   0.199
   45    HA   ALA   6           HA       ALA   6  -2.618 -13.510   2.978
   46    HB1  ALA   6           1HB      ALA   6  -2.108 -15.311   1.388
   47    HB2  ALA   6           2HB      ALA   6  -0.628 -14.455   1.815
   48    HB3  ALA   6           3HB      ALA   6  -1.410 -14.144   0.265
   49    H    ALA   7           H        ALA   7  -1.886 -11.836  -0.112
   50    HA   ALA   7           HA       ALA   7  -0.134  -9.899   1.320
   51    HB1  ALA   7           1HB      ALA   7   0.776 -10.938  -0.654
   52    HB2  ALA   7           2HB      ALA   7   0.416  -9.261  -1.061
   53    HB3  ALA   7           3HB      ALA   7  -0.668 -10.548  -1.588
   54    H    SER   8           H        SER   8  -3.274 -10.074  -0.305
   55    HA   SER   8           HA       SER   8  -3.552  -7.148  -0.505
   56    HB2  SER   8           2HB      SER   8  -5.683  -9.251  -0.899
   57    HB3  SER   8           1HB      SER   8  -5.580  -7.658  -1.631
   58    HG   SER   8           HG       SER   8  -4.355 -10.043  -2.311
   59    H    ALA   9           H        ALA   9  -3.375  -8.604   2.275
   60    HA   ALA   9           HA       ALA   9  -6.035  -7.858   3.389
   61    HB1  ALA   9           1HB      ALA   9  -4.858  -9.004   5.438
   62    HB2  ALA   9           2HB      ALA   9  -3.702  -9.556   4.228
   63    HB3  ALA   9           3HB      ALA   9  -5.404  -9.993   4.086
   64    H    GLY  10           H        GLY  10  -3.687  -5.898   2.634
   65    HA2  GLY  10           2HA      GLY  10  -3.286  -4.668   5.326
   66    HA3  GLY  10           1HA      GLY  10  -2.278  -4.356   3.920
   67    H    GLY  11           H        GLY  11  -5.723  -4.418   3.394
   68    HA2  GLY  11           2HA      GLY  11  -7.216  -2.737   2.793
   69    HA3  GLY  11           1HA      GLY  11  -6.426  -1.764   4.027
   70    H    ALA  12           H        ALA  12  -4.624  -2.957   1.234
   71    HA   ALA  12           HA       ALA  12  -3.568  -1.848  -0.536
   72    HB1  ALA  12           1HB      ALA  12  -4.946  -0.405  -1.769
   73    HB2  ALA  12           2HB      ALA  12  -5.693   0.274  -0.324
   74    HB3  ALA  12           3HB      ALA  12  -6.111  -1.356  -0.849
   75    H    VAL  13           H        VAL  13  -3.346  -0.809   2.482
   76    HA   VAL  13           HA       VAL  13  -1.746   1.646   1.835
   77    HB   VAL  13           HB       VAL  13  -3.515   0.969   4.223
   78   HG11  VAL  13          1HG1      VAL  13  -1.792   3.416   3.699
   79   HG12  VAL  13          2HG1      VAL  13  -1.524   2.210   4.957
   80   HG13  VAL  13          3HG1      VAL  13  -2.942   3.255   5.025
   81   HG21  VAL  13          3HG2      VAL  13  -3.733   2.986   1.968
   82   HG22  VAL  13          1HG2      VAL  13  -4.687   3.104   3.447
   83   HG23  VAL  13          2HG2      VAL  13  -4.874   1.709   2.387
   84    H    PHE  14           H        PHE  14  -2.340  -0.810   4.360
   85    HA   PHE  14           HA       PHE  14   0.223  -0.793   5.603
   86    HB2  PHE  14           2HB      PHE  14  -2.057  -1.805   6.295
   87    HB3  PHE  14           1HB      PHE  14  -1.618  -3.176   5.283
   88    HD1  PHE  14           2HD      PHE  14  -0.790  -1.293   8.347
   89    HD2  PHE  14           1HD      PHE  14   0.201  -4.682   5.899
   90    HE1  PHE  14           2HE      PHE  14   0.593  -2.217  10.185
   91    HE2  PHE  14           1HE      PHE  14   1.584  -5.606   7.739
   92    HZ   PHE  14           HZ       PHE  14   1.780  -4.374   9.882
   93    H    VAL  15           H        VAL  15  -1.053  -2.650   2.836
   94    HA   VAL  15           HA       VAL  15   1.111  -4.466   2.432
   95    HB   VAL  15           HB       VAL  15  -0.765  -3.135   0.432
   96   HG11  VAL  15          1HG1      VAL  15   0.719  -4.202  -0.977
   97   HG12  VAL  15          2HG1      VAL  15  -0.337  -5.565  -0.607
   98   HG13  VAL  15          3HG1      VAL  15   1.199  -5.383   0.241
   99   HG21  VAL  15          3HG2      VAL  15  -1.023  -5.488   2.295
  100   HG22  VAL  15          1HG2      VAL  15  -1.896  -5.484   0.763
  101   HG23  VAL  15          2HG2      VAL  15  -2.189  -4.211   1.947
  102    H    GLY  16           H        GLY  16   0.546  -1.195   1.079
  103    HA2  GLY  16           2HA      GLY  16   2.931  -1.060  -0.492
  104    HA3  GLY  16           1HA      GLY  16   1.999   0.330   0.062
  105    H    LEU  17           H        LEU  17   2.245  -0.127   2.887
  106    HA   LEU  17           HA       LEU  17   4.801   1.109   3.410
  107    HB2  LEU  17           2HB      LEU  17   2.463   1.080   4.672
  108    HB3  LEU  17           1HB      LEU  17   3.204  -0.265   5.540
  109    HG   LEU  17           HG       LEU  17   5.257   1.384   5.737
  110   HD11  LEU  17          1HD1      LEU  17   2.992   3.380   5.669
  111   HD12  LEU  17          2HD1      LEU  17   3.982   3.061   4.246
  112   HD13  LEU  17          3HD1      LEU  17   4.726   3.692   5.713
  113   HD21  LEU  17          3HD2      LEU  17   2.691   1.599   7.344
  114   HD22  LEU  17          1HD2      LEU  17   4.234   2.282   7.859
  115   HD23  LEU  17          2HD2      LEU  17   4.061   0.537   7.671
  116    H    VAL  18           H        VAL  18   3.612  -2.254   3.861
  117    HA   VAL  18           HA       VAL  18   5.894  -3.299   5.232
  118    HB   VAL  18           HB       VAL  18   3.848  -4.487   3.327
  119   HG11  VAL  18          1HG1      VAL  18   5.646  -6.017   3.119
  120   HG12  VAL  18          2HG1      VAL  18   4.639  -6.706   4.391
  121   HG13  VAL  18          3HG1      VAL  18   6.111  -5.829   4.811
  122   HG21  VAL  18          3HG2      VAL  18   2.819  -5.329   5.336
  123   HG22  VAL  18          1HG2      VAL  18   3.171  -3.624   5.622
  124   HG23  VAL  18          2HG2      VAL  18   4.213  -4.867   6.312
  125    H    LEU  19           H        LEU  19   5.184  -2.960   1.759
  126    HA   LEU  19           HA       LEU  19   7.632  -4.150   0.769
  127    HB2  LEU  19           2HB      LEU  19   5.363  -3.743  -0.374
  128    HB3  LEU  19           1HB      LEU  19   5.880  -2.070  -0.566
  129    HG   LEU  19           HG       LEU  19   7.875  -4.075  -1.427
  130   HD11  LEU  19          1HD1      LEU  19   5.674  -5.104  -2.114
  131   HD12  LEU  19          2HD1      LEU  19   6.735  -4.695  -3.461
  132   HD13  LEU  19          3HD1      LEU  19   5.365  -3.656  -3.073
  133   HD21  LEU  19          3HD2      LEU  19   8.132  -2.485  -3.263
  134   HD22  LEU  19          1HD2      LEU  19   8.049  -1.593  -1.745
  135   HD23  LEU  19          2HD2      LEU  19   6.640  -1.665  -2.804
  136    H    LEU  20           H        LEU  20   6.614  -0.858   1.609
  137    HA   LEU  20           HA       LEU  20   8.924   0.558   0.611
  138    HB2  LEU  20           2HB      LEU  20   6.461   1.040   2.102
  139    HB3  LEU  20           1HB      LEU  20   7.790   2.007   2.728
  140    HG   LEU  20           HG       LEU  20   7.278   1.847  -0.237
  141   HD11  LEU  20          1HD1      LEU  20   5.167   2.598   0.482
  142   HD12  LEU  20          2HD1      LEU  20   6.052   4.098   0.200
  143   HD13  LEU  20          3HD1      LEU  20   5.845   3.492   1.843
  144   HD21  LEU  20          3HD2      LEU  20   8.338   4.120  -0.105
  145   HD22  LEU  20          1HD2      LEU  20   9.392   2.832   0.475
  146   HD23  LEU  20          2HD2      LEU  20   8.558   3.874   1.628
  147    H    THR  21           H        THR  21   8.056  -0.734   3.840
  148    HA   THR  21           HA       THR  21  10.435   0.253   5.174
  149    HB   THR  21           HB       THR  21   8.567  -2.015   5.937
  150    HG1  THR  21           1HG      THR  21   7.207  -0.380   5.865
  151   HG21  THR  21          3HG2      THR  21  10.410  -0.230   7.544
  152   HG22  THR  21          1HG2      THR  21  10.536  -1.978   7.341
  153   HG23  THR  21          2HG2      THR  21   9.194  -1.289   8.256
  154    H    LEU  22           H        LEU  22   9.888  -2.515   3.110
  155    HA   LEU  22           HA       LEU  22  11.986  -4.208   4.208
  156    HB2  LEU  22           2HB      LEU  22   9.886  -4.368   2.313
  157    HB3  LEU  22           1HB      LEU  22  11.373  -4.737   1.442
  158    HG   LEU  22           HG       LEU  22  11.786  -6.166   3.717
  159   HD11  LEU  22          1HD1      LEU  22   8.800  -6.250   3.177
  160   HD12  LEU  22          2HD1      LEU  22   9.567  -5.602   4.627
  161   HD13  LEU  22          3HD1      LEU  22   9.673  -7.326   4.268
  162   HD21  LEU  22          3HD2      LEU  22  10.946  -8.135   2.382
  163   HD22  LEU  22          1HD2      LEU  22  12.034  -7.077   1.483
  164   HD23  LEU  22          2HD2      LEU  22  10.294  -6.994   1.206
  165    H    SER  23           H        SER  23  12.033  -1.435   2.102
  166    HA   SER  23           HA       SER  23  13.738  -0.396   0.889
  167    HB2  SER  23           2HB      SER  23  15.376  -2.129   2.766
  168    HB3  SER  23           1HB      SER  23  16.025  -0.806   1.809
  169    HG   SER  23           HG       SER  23  14.917   0.618   3.021
  170    HA   PRO  24           HA       PRO  24  14.136  -4.204  -1.786
  171    HB2  PRO  24           2HB      PRO  24  12.814  -3.162  -3.945
  172    HB3  PRO  24           1HB      PRO  24  11.989  -4.016  -2.624
  173    HG2  PRO  24           2HG      PRO  24  12.254  -1.090  -3.101
  174    HG3  PRO  24           1HG      PRO  24  10.856  -2.022  -2.532
  175    HD2  PRO  24           2HD      PRO  24  12.431  -0.590  -0.866
  176    HD3  PRO  24           1HD      PRO  24  11.599  -2.080  -0.364
  177    H    HIS  25           H        HIS  25  16.311  -4.026  -2.256
  178    HA   HIS  25           HA       HIS  25  17.169  -1.834  -4.123
  179    HB2  HIS  25           2HB      HIS  25  18.520  -3.064  -1.713
  180    HB3  HIS  25           1HB      HIS  25  19.389  -2.075  -2.884
  181    HD1  HIS  25           1HD      HIS  25  17.470   0.198  -3.420
  182    HD2  HIS  25           2HD      HIS  25  18.042  -1.365   0.402
  183    HE1  HIS  25           1HE      HIS  25  16.755   2.001  -1.796
  184    H    TYR  26           H        TYR  26  17.855  -5.190  -3.047
  185    HA   TYR  26           HA       TYR  26  18.787  -7.022  -4.169
  186    HB2  TYR  26           2HB      TYR  26  17.788  -5.426  -6.558
  187    HB3  TYR  26           1HB      TYR  26  18.229  -7.128  -6.588
  188    HD1  TYR  26           1HD      TYR  26  16.899  -8.788  -5.245
  189    HD2  TYR  26           2HD      TYR  26  15.674  -4.694  -5.696
  190    HE1  TYR  26           1HE      TYR  26  14.610  -9.390  -4.506
  191    HE2  TYR  26           2HE      TYR  26  13.387  -5.297  -4.956
  192    HH   TYR  26           HH       TYR  26  12.084  -8.014  -5.044
  193    H    LYS  27           H        LYS  27  20.824  -5.696  -3.323
  194    HA   LYS  27           HA       LYS  27  22.653  -5.244  -5.661
  195    HB2  LYS  27           2HB      LYS  27  22.233  -3.698  -3.101
  196    HB3  LYS  27           1HB      LYS  27  23.739  -3.569  -4.006
  197    HG2  LYS  27           2HG      LYS  27  22.640  -2.697  -5.928
  198    HG3  LYS  27           1HG      LYS  27  21.049  -3.159  -5.323
  199    HD2  LYS  27           2HD      LYS  27  21.500  -1.567  -3.362
  200    HD3  LYS  27           1HD      LYS  27  22.849  -0.949  -4.317
  201    HE2  LYS  27           2HE      LYS  27  21.286  -0.421  -6.178
  202    HE3  LYS  27           1HE      LYS  27  19.932  -0.987  -5.181
  203    HZ1  LYS  27           3HZ      LYS  27  20.653   0.614  -3.453
  204    HZ2  LYS  27           1HZ      LYS  27  20.137   1.363  -4.882
  205    HZ3  LYS  27           2HZ      LYS  27  21.799   1.243  -4.544
  Start of MODEL   32
    1    H1   MET   1           1HT      MET   1  -3.279   3.883  15.858
    2    H2   MET   1           2HT      MET   1  -3.144   3.579  14.193
    3    H3   MET   1           3HT      MET   1  -1.882   4.353  15.018
    4    HA   MET   1           HA       MET   1  -2.001   1.691  14.473
    5    HB2  MET   1           2HB      MET   1  -0.136   3.331  15.231
    6    HB3  MET   1           1HB      MET   1  -0.569   2.848  16.871
    7    HG2  MET   1           2HG      MET   1  -0.012   0.566  16.454
    8    HG3  MET   1           1HG      MET   1   0.076   0.831  14.713
    9    HE1  MET   1           2HE      MET   1   1.635   2.029  18.172
   10    HE2  MET   1           3HE      MET   1   3.242   1.377  17.873
   11    HE3  MET   1           1HE      MET   1   1.822   0.319  17.799
   12    H    ASP   2           H        ASP   2  -4.192   0.986  15.143
   13    HA   ASP   2           HA       ASP   2  -4.160  -0.276  17.799
   14    HB2  ASP   2           2HB      ASP   2  -4.961   2.067  18.150
   15    HB3  ASP   2           1HB      ASP   2  -6.289   1.760  17.036
   16    H    ARG   3           H        ARG   3  -7.117   0.457  15.945
   17    HA   ARG   3           HA       ARG   3  -7.648  -2.410  15.589
   18    HB2  ARG   3           2HB      ARG   3  -9.069   0.170  14.885
   19    HB3  ARG   3           1HB      ARG   3  -9.716  -1.409  14.439
   20    HG2  ARG   3           2HG      ARG   3  -9.011  -1.664  17.144
   21    HG3  ARG   3           1HG      ARG   3  -9.763  -0.075  17.021
   22    HD2  ARG   3           2HD      ARG   3 -11.763  -1.035  16.004
   23    HD3  ARG   3           1HD      ARG   3 -11.004  -2.641  15.957
   24    HE   ARG   3           HE       ARG   3 -10.916  -2.563  18.456
   25   HH11  ARG   3          1HH2      ARG   3 -13.786  -2.729  17.852
   26   HH12  ARG   3          2HH2      ARG   3 -14.456  -1.388  18.718
   27   HH21  ARG   3          1HH1      ARG   3 -11.384   0.216  19.110
   28   HH22  ARG   3          2HH1      ARG   3 -13.081   0.298  19.438
   29    H    GLU   4           H        GLU   4  -6.603   0.310  13.598
   30    HA   GLU   4           HA       GLU   4  -6.987  -0.657  10.982
   31    HB2  GLU   4           2HB      GLU   4  -5.004   0.836  10.473
   32    HB3  GLU   4           1HB      GLU   4  -6.300   1.596  11.392
   33    HG2  GLU   4           2HG      GLU   4  -4.994   1.883  13.229
   34    HG3  GLU   4           1HG      GLU   4  -4.260   0.291  13.074
   35    H    MET   5           H        MET   5  -4.508  -1.658  13.322
   36    HA   MET   5           HA       MET   5  -2.667  -2.880  11.489
   37    HB2  MET   5           2HB      MET   5  -3.363  -3.136  14.404
   38    HB3  MET   5           1HB      MET   5  -2.248  -4.296  13.683
   39    HG2  MET   5           2HG      MET   5  -1.551  -1.625  12.833
   40    HG3  MET   5           1HG      MET   5  -1.645  -1.688  14.593
   41    HE1  MET   5           3HE      MET   5   0.926  -0.909  13.935
   42    HE2  MET   5           1HE      MET   5   0.892  -1.460  12.251
   43    HE3  MET   5           2HE      MET   5   2.151  -2.025  13.342
   44    H    ALA   6           H        ALA   6  -5.632  -4.068  13.053
   45    HA   ALA   6           HA       ALA   6  -5.373  -6.827  12.171
   46    HB1  ALA   6           1HB      ALA   6  -7.881  -5.283  12.907
   47    HB2  ALA   6           2HB      ALA   6  -6.745  -5.893  14.110
   48    HB3  ALA   6           3HB      ALA   6  -7.609  -7.019  13.063
   49    H    ALA   7           H        ALA   7  -7.074  -3.929  10.955
   50    HA   ALA   7           HA       ALA   7  -8.193  -5.318   8.619
   51    HB1  ALA   7           1HB      ALA   7  -8.960  -2.999   8.089
   52    HB2  ALA   7           2HB      ALA   7  -8.021  -2.407   9.458
   53    HB3  ALA   7           3HB      ALA   7  -9.382  -3.498   9.726
   54    H    SER   8           H        SER   8  -5.116  -4.009   9.356
   55    HA   SER   8           HA       SER   8  -3.231  -3.504   8.105
   56    HB2  SER   8           2HB      SER   8  -4.797  -5.075   6.033
   57    HB3  SER   8           1HB      SER   8  -3.069  -4.748   5.974
   58    HG   SER   8           HG       SER   8  -2.971  -6.539   7.118
   59    H    ALA   9           H        ALA   9  -4.679  -1.318   8.313
   60    HA   ALA   9           HA       ALA   9  -5.409   0.700   7.341
   61    HB1  ALA   9           1HB      ALA   9  -3.593   1.664   6.253
   62    HB2  ALA   9           2HB      ALA   9  -3.236   0.203   5.338
   63    HB3  ALA   9           3HB      ALA   9  -2.829   0.289   7.049
   64    H    GLY  10           H        GLY  10  -7.288  -0.905   6.496
   65    HA2  GLY  10           2HA      GLY  10  -8.936  -1.061   4.825
   66    HA3  GLY  10           1HA      GLY  10  -7.956   0.006   3.822
   67    H    GLY  11           H        GLY  11  -6.423  -2.858   5.084
   68    HA2  GLY  11           2HA      GLY  11  -5.535  -4.728   4.042
   69    HA3  GLY  11           1HA      GLY  11  -7.050  -4.797   3.142
   70    H    ALA  12           H        ALA  12  -4.671  -2.152   3.013
   71    HA   ALA  12           HA       ALA  12  -3.553  -3.025   0.442
   72    HB1  ALA  12           1HB      ALA  12  -5.714  -2.244  -0.303
   73    HB2  ALA  12           2HB      ALA  12  -4.529  -1.015  -0.746
   74    HB3  ALA  12           3HB      ALA  12  -5.570  -0.771   0.656
   75    H    VAL  13           H        VAL  13  -4.200   0.048   2.204
   76    HA   VAL  13           HA       VAL  13  -1.779   1.379   1.584
   77    HB   VAL  13           HB       VAL  13  -3.576   1.510   4.027
   78   HG11  VAL  13          1HG1      VAL  13  -1.369   2.546   4.480
   79   HG12  VAL  13          2HG1      VAL  13  -2.653   3.751   4.397
   80   HG13  VAL  13          3HG1      VAL  13  -1.553   3.539   3.035
   81   HG21  VAL  13          3HG2      VAL  13  -3.530   3.569   1.860
   82   HG22  VAL  13          1HG2      VAL  13  -4.877   3.012   2.852
   83   HG23  VAL  13          2HG2      VAL  13  -4.310   2.029   1.503
   84    H    PHE  14           H        PHE  14  -2.417  -1.079   4.060
   85    HA   PHE  14           HA       PHE  14   0.055  -0.743   5.542
   86    HB2  PHE  14           2HB      PHE  14  -2.258  -1.951   6.018
   87    HB3  PHE  14           1HB      PHE  14  -1.435  -3.344   5.327
   88    HD1  PHE  14           2HD      PHE  14   0.709  -4.159   6.373
   89    HD2  PHE  14           1HD      PHE  14  -1.736  -1.134   8.195
   90    HE1  PHE  14           2HE      PHE  14   1.862  -4.530   8.537
   91    HE2  PHE  14           1HE      PHE  14  -0.586  -1.505  10.358
   92    HZ   PHE  14           HZ       PHE  14   1.214  -3.202  10.530
   93    H    VAL  15           H        VAL  15  -0.994  -2.908   2.897
   94    HA   VAL  15           HA       VAL  15   1.341  -4.522   2.654
   95    HB   VAL  15           HB       VAL  15  -0.537  -3.525   0.476
   96   HG11  VAL  15          1HG1      VAL  15   1.235  -5.982   0.661
   97   HG12  VAL  15          2HG1      VAL  15   1.426  -4.629  -0.456
   98   HG13  VAL  15          3HG1      VAL  15   0.036  -5.705  -0.602
   99   HG21  VAL  15          3HG2      VAL  15  -1.574  -5.880   0.980
  100   HG22  VAL  15          1HG2      VAL  15  -1.986  -4.527   2.031
  101   HG23  VAL  15          2HG2      VAL  15  -0.778  -5.705   2.544
  102    H    GLY  16           H        GLY  16   0.516  -1.391   1.116
  103    HA2  GLY  16           2HA      GLY  16   2.888  -1.129  -0.461
  104    HA3  GLY  16           1HA      GLY  16   1.861   0.209   0.055
  105    H    LEU  17           H        LEU  17   2.136  -0.150   2.885
  106    HA   LEU  17           HA       LEU  17   4.579   1.290   3.397
  107    HB2  LEU  17           2HB      LEU  17   2.187   0.791   4.692
  108    HB3  LEU  17           1HB      LEU  17   3.329  -0.135   5.656
  109    HG   LEU  17           HG       LEU  17   3.120   2.122   6.558
  110   HD11  LEU  17          1HD1      LEU  17   5.776   1.981   5.120
  111   HD12  LEU  17          2HD1      LEU  17   5.379   0.943   6.490
  112   HD13  LEU  17          3HD1      LEU  17   5.432   2.694   6.695
  113   HD21  LEU  17          3HD2      LEU  17   4.115   3.096   3.862
  114   HD22  LEU  17          1HD2      LEU  17   3.695   4.092   5.254
  115   HD23  LEU  17          2HD2      LEU  17   2.438   3.198   4.399
  116    H    VAL  18           H        VAL  18   3.656  -2.141   3.888
  117    HA   VAL  18           HA       VAL  18   6.071  -2.982   5.198
  118    HB   VAL  18           HB       VAL  18   4.030  -4.416   3.463
  119   HG11  VAL  18          1HG1      VAL  18   6.458  -5.443   4.916
  120   HG12  VAL  18          2HG1      VAL  18   5.841  -5.892   3.325
  121   HG13  VAL  18          3HG1      VAL  18   5.023  -6.460   4.780
  122   HG21  VAL  18          3HG2      VAL  18   4.483  -4.393   6.467
  123   HG22  VAL  18          1HG2      VAL  18   3.186  -5.233   5.619
  124   HG23  VAL  18          2HG2      VAL  18   3.234  -3.472   5.631
  125    H    LEU  19           H        LEU  19   5.151  -2.782   1.757
  126    HA   LEU  19           HA       LEU  19   7.462  -4.001   0.599
  127    HB2  LEU  19           2HB      LEU  19   5.276  -3.400  -0.500
  128    HB3  LEU  19           1HB      LEU  19   5.771  -1.709  -0.458
  129    HG   LEU  19           HG       LEU  19   7.861  -3.398  -1.590
  130   HD11  LEU  19          1HD1      LEU  19   5.261  -3.270  -3.141
  131   HD12  LEU  19          2HD1      LEU  19   5.787  -4.700  -2.253
  132   HD13  LEU  19          3HD1      LEU  19   6.748  -4.098  -3.604
  133   HD21  LEU  19          3HD2      LEU  19   6.235  -1.178  -2.866
  134   HD22  LEU  19          1HD2      LEU  19   7.875  -1.681  -3.278
  135   HD23  LEU  19          2HD2      LEU  19   7.560  -0.876  -1.741
  136    H    LEU  20           H        LEU  20   6.787  -0.633   1.559
  137    HA   LEU  20           HA       LEU  20   9.271   0.516   0.620
  138    HB2  LEU  20           2HB      LEU  20   6.972   1.567   1.291
  139    HB3  LEU  20           1HB      LEU  20   7.605   1.515   2.934
  140    HG   LEU  20           HG       LEU  20   9.416   2.660   0.866
  141   HD11  LEU  20          1HD1      LEU  20   6.926   4.075   1.865
  142   HD12  LEU  20          2HD1      LEU  20   7.313   3.681   0.190
  143   HD13  LEU  20          3HD1      LEU  20   8.273   4.877   1.059
  144   HD21  LEU  20          3HD2      LEU  20  10.102   4.044   2.691
  145   HD22  LEU  20          1HD2      LEU  20   9.833   2.448   3.391
  146   HD23  LEU  20          2HD2      LEU  20   8.624   3.716   3.593
  147    H    THR  21           H        THR  21   8.154  -0.678   3.796
  148    HA   THR  21           HA       THR  21  10.652  -0.136   5.186
  149    HB   THR  21           HB       THR  21   8.319  -1.935   5.915
  150    HG1  THR  21           1HG      THR  21   7.378  -0.030   5.770
  151   HG21  THR  21          3HG2      THR  21  10.066  -2.387   7.443
  152   HG22  THR  21          1HG2      THR  21   9.069  -1.185   8.260
  153   HG23  THR  21          2HG2      THR  21  10.578  -0.701   7.487
  154    H    LEU  22           H        LEU  22   9.719  -2.693   3.040
  155    HA   LEU  22           HA       LEU  22  11.659  -4.596   4.267
  156    HB2  LEU  22           2HB      LEU  22   9.251  -5.187   3.656
  157    HB3  LEU  22           1HB      LEU  22   9.736  -5.034   1.968
  158    HG   LEU  22           HG       LEU  22  11.714  -6.648   3.156
  159   HD11  LEU  22          1HD1      LEU  22   8.929  -7.510   3.993
  160   HD12  LEU  22          2HD1      LEU  22  10.218  -6.995   5.081
  161   HD13  LEU  22          3HD1      LEU  22  10.393  -8.482   4.150
  162   HD21  LEU  22          3HD2      LEU  22  10.913  -8.303   1.609
  163   HD22  LEU  22          1HD2      LEU  22  10.634  -6.735   0.851
  164   HD23  LEU  22          2HD2      LEU  22   9.294  -7.603   1.601
  165    H    SER  23           H        SER  23  12.893  -2.394   3.118
  166    HA   SER  23           HA       SER  23  14.606  -1.812   1.642
  167    HB2  SER  23           2HB      SER  23  14.795  -4.524   2.134
  168    HB3  SER  23           1HB      SER  23  14.812  -4.453   0.379
  169    HG   SER  23           HG       SER  23  16.627  -3.481   2.258
  170    HA   PRO  24           HA       PRO  24  11.809  -1.249  -1.917
  171    HB2  PRO  24           2HB      PRO  24  12.697   1.259  -2.539
  172    HB3  PRO  24           1HB      PRO  24  11.491   0.947  -1.274
  173    HG2  PRO  24           2HG      PRO  24  14.394   1.510  -1.015
  174    HG3  PRO  24           1HG      PRO  24  13.043   2.036   0.002
  175    HD2  PRO  24           2HD      PRO  24  14.732   0.002   0.668
  176    HD3  PRO  24           1HD      PRO  24  13.055   0.125   1.243
  177    H    HIS  25           H        HIS  25  12.504  -0.359  -4.270
  178    HA   HIS  25           HA       HIS  25  15.334  -1.052  -4.897
  179    HB2  HIS  25           2HB      HIS  25  14.530  -2.631  -6.658
  180    HB3  HIS  25           1HB      HIS  25  14.108  -3.146  -5.029
  181    HD1  HIS  25           1HD      HIS  25  11.594  -3.024  -4.351
  182    HD2  HIS  25           2HD      HIS  25  12.321  -1.900  -8.297
  183    HE1  HIS  25           1HE      HIS  25   9.339  -2.937  -5.495
  184    H    TYR  26           H        TYR  26  14.085   1.536  -4.988
  185    HA   TYR  26           HA       TYR  26  13.357   2.112  -7.785
  186    HB2  TYR  26           2HB      TYR  26  13.728   3.719  -5.245
  187    HB3  TYR  26           1HB      TYR  26  13.420   4.502  -6.795
  188    HD1  TYR  26           1HD      TYR  26  12.032   2.261  -4.210
  189    HD2  TYR  26           2HD      TYR  26  11.269   4.296  -7.916
  190    HE1  TYR  26           1HE      TYR  26   9.613   1.785  -3.972
  191    HE2  TYR  26           2HE      TYR  26   8.848   3.820  -7.676
  192    HH   TYR  26           HH       TYR  26   7.520   1.741  -6.217
  193    H    LYS  27           H        LYS  27  14.975   2.187  -9.289
  194    HA   LYS  27           HA       LYS  27  17.349   3.869  -8.845
  195    HB2  LYS  27           2HB      LYS  27  17.811   1.656  -7.746
  196    HB3  LYS  27           1HB      LYS  27  17.616   0.884  -9.318
  197    HG2  LYS  27           2HG      LYS  27  19.462   3.161  -9.398
  198    HG3  LYS  27           1HG      LYS  27  19.993   1.891  -8.297
  199    HD2  LYS  27           2HD      LYS  27  19.149   1.412 -11.170
  200    HD3  LYS  27           1HD      LYS  27  20.823   1.584 -10.648
  201    HE2  LYS  27           2HE      LYS  27  19.030  -0.466  -9.337
  202    HE3  LYS  27           1HE      LYS  27  19.855  -0.831 -10.864
  203    HZ1  LYS  27           3HZ      LYS  27  21.227   0.246  -8.456
  204    HZ2  LYS  27           1HZ      LYS  27  21.957  -0.296  -9.889
  205    HZ3  LYS  27           2HZ      LYS  27  21.178  -1.403  -8.864
  Start of MODEL   33
    1    H1   MET   1           1HT      MET   1  -8.806  12.839  14.180
    2    H2   MET   1           2HT      MET   1 -10.459  12.903  13.798
    3    H3   MET   1           3HT      MET   1  -9.317  12.520  12.597
    4    HA   MET   1           HA       MET   1  -9.942  10.855  14.986
    5    HB2  MET   1           2HB      MET   1 -11.575  11.227  12.927
    6    HB3  MET   1           1HB      MET   1 -10.468  10.113  12.125
    7    HG2  MET   1           2HG      MET   1 -12.096   8.691  13.065
    8    HG3  MET   1           1HG      MET   1 -10.770   8.622  14.225
    9    HE1  MET   1           2HE      MET   1 -12.091   7.712  15.964
   10    HE2  MET   1           3HE      MET   1 -12.883   8.727  17.166
   11    HE3  MET   1           1HE      MET   1 -11.175   8.984  16.765
   12    H    ASP   2           H        ASP   2  -8.010   9.990  15.561
   13    HA   ASP   2           HA       ASP   2  -5.763   9.616  13.762
   14    HB2  ASP   2           2HB      ASP   2  -4.732   8.633  15.755
   15    HB3  ASP   2           1HB      ASP   2  -5.621  10.085  16.205
   16    H    ARG   3           H        ARG   3  -4.756   7.434  13.392
   17    HA   ARG   3           HA       ARG   3  -6.420   5.049  13.618
   18    HB2  ARG   3           2HB      ARG   3  -6.385   4.822  11.002
   19    HB3  ARG   3           1HB      ARG   3  -7.605   5.833  11.762
   20    HG2  ARG   3           2HG      ARG   3  -6.687   7.784  10.969
   21    HG3  ARG   3           1HG      ARG   3  -5.037   7.165  11.040
   22    HD2  ARG   3           2HD      ARG   3  -5.458   5.772   9.042
   23    HD3  ARG   3           1HD      ARG   3  -7.118   6.397   8.959
   24    HE   ARG   3           HE       ARG   3  -4.768   8.249   8.852
   25   HH11  ARG   3          1HH2      ARG   3  -5.450   7.314   6.174
   26   HH12  ARG   3          2HH2      ARG   3  -6.673   8.421   5.648
   27   HH21  ARG   3          1HH1      ARG   3  -7.361   9.572   8.868
   28   HH22  ARG   3          2HH1      ARG   3  -7.767   9.713   7.191
   29    H    GLU   4           H        GLU   4  -4.324   5.117  10.822
   30    HA   GLU   4           HA       GLU   4  -2.233   4.169  10.405
   31    HB2  GLU   4           2HB      GLU   4  -1.994   5.862  12.577
   32    HB3  GLU   4           1HB      GLU   4  -1.280   4.365  13.175
   33    HG2  GLU   4           2HG      GLU   4   0.365   4.327  11.490
   34    HG3  GLU   4           1HG      GLU   4  -0.532   5.445  10.461
   35    H    MET   5           H        MET   5  -4.467   2.443  11.309
   36    HA   MET   5           HA       MET   5  -2.989  -0.012  11.714
   37    HB2  MET   5           2HB      MET   5  -3.992  -0.534  13.961
   38    HB3  MET   5           1HB      MET   5  -2.821   0.774  13.987
   39    HG2  MET   5           2HG      MET   5  -5.007   2.266  13.643
   40    HG3  MET   5           1HG      MET   5  -5.786   0.868  14.381
   41    HE1  MET   5           3HE      MET   5  -4.072   0.456  17.766
   42    HE2  MET   5           1HE      MET   5  -4.072  -0.418  16.224
   43    HE3  MET   5           2HE      MET   5  -5.580   0.193  16.897
   44    H    ALA   6           H        ALA   6  -6.239   1.488  12.108
   45    HA   ALA   6           HA       ALA   6  -7.546  -1.009  11.186
   46    HB1  ALA   6           1HB      ALA   6  -8.618   0.064  13.008
   47    HB2  ALA   6           2HB      ALA   6  -9.596   0.513  11.611
   48    HB3  ALA   6           3HB      ALA   6  -8.437   1.662  12.283
   49    H    ALA   7           H        ALA   7  -7.522   2.454  10.215
   50    HA   ALA   7           HA       ALA   7  -8.879   2.088   7.710
   51    HB1  ALA   7           1HB      ALA   7  -6.917   4.208   8.635
   52    HB2  ALA   7           2HB      ALA   7  -8.659   4.229   8.908
   53    HB3  ALA   7           3HB      ALA   7  -8.021   4.368   7.270
   54    H    SER   8           H        SER   8  -5.439   1.909   8.592
   55    HA   SER   8           HA       SER   8  -4.459   1.801   5.845
   56    HB2  SER   8           2HB      SER   8  -2.335   1.191   7.020
   57    HB3  SER   8           1HB      SER   8  -3.091   2.637   7.677
   58    HG   SER   8           HG       SER   8  -2.601   1.351   9.407
   59    H    ALA   9           H        ALA   9  -5.788  -0.585   8.046
   60    HA   ALA   9           HA       ALA   9  -4.509  -2.888   6.778
   61    HB1  ALA   9           1HB      ALA   9  -6.844  -2.545   8.682
   62    HB2  ALA   9           2HB      ALA   9  -5.176  -2.918   9.115
   63    HB3  ALA   9           3HB      ALA   9  -6.146  -4.104   8.244
   64    H    GLY  10           H        GLY  10  -5.658  -1.362   4.718
   65    HA2  GLY  10           2HA      GLY  10  -8.210  -2.694   4.005
   66    HA3  GLY  10           1HA      GLY  10  -7.544  -1.262   3.224
   67    H    GLY  11           H        GLY  11  -4.938  -3.317   3.560
   68    HA2  GLY  11           2HA      GLY  11  -4.122  -5.114   2.203
   69    HA3  GLY  11           1HA      GLY  11  -5.531  -4.947   1.164
   70    H    ALA  12           H        ALA  12  -4.560  -1.825   1.484
   71    HA   ALA  12           HA       ALA  12  -2.629  -2.003  -0.812
   72    HB1  ALA  12           1HB      ALA  12  -3.736   0.179  -1.502
   73    HB2  ALA  12           2HB      ALA  12  -4.930  -0.107  -0.236
   74    HB3  ALA  12           3HB      ALA  12  -4.788  -1.234  -1.587
   75    H    VAL  13           H        VAL  13  -3.800   0.085   1.846
   76    HA   VAL  13           HA       VAL  13  -1.517   1.836   1.935
   77    HB   VAL  13           HB       VAL  13  -3.619   1.067   3.996
   78   HG11  VAL  13          1HG1      VAL  13  -1.710   2.132   5.096
   79   HG12  VAL  13          2HG1      VAL  13  -3.067   3.257   5.039
   80   HG13  VAL  13          3HG1      VAL  13  -1.725   3.436   3.908
   81   HG21  VAL  13          3HG2      VAL  13  -3.448   3.232   1.886
   82   HG22  VAL  13          1HG2      VAL  13  -4.558   3.334   3.253
   83   HG23  VAL  13          2HG2      VAL  13  -4.710   2.016   2.092
   84    H    PHE  14           H        PHE  14  -2.452  -0.938   4.036
   85    HA   PHE  14           HA       PHE  14  -0.012  -0.978   5.564
   86    HB2  PHE  14           2HB      PHE  14  -2.491  -2.275   5.565
   87    HB3  PHE  14           1HB      PHE  14  -1.336  -3.565   5.251
   88    HD1  PHE  14           2HD      PHE  14   0.825  -3.567   6.753
   89    HD2  PHE  14           1HD      PHE  14  -2.840  -1.568   7.774
   90    HE1  PHE  14           2HE      PHE  14   1.491  -3.564   9.140
   91    HE2  PHE  14           1HE      PHE  14  -2.173  -1.563  10.159
   92    HZ   PHE  14           HZ       PHE  14  -0.008  -2.561  10.845
   93    H    VAL  15           H        VAL  15  -1.084  -2.947   2.768
   94    HA   VAL  15           HA       VAL  15   1.238  -4.579   2.506
   95    HB   VAL  15           HB       VAL  15  -0.817  -3.541   0.526
   96   HG11  VAL  15          1HG1      VAL  15  -0.031  -5.689  -0.749
   97   HG12  VAL  15          2HG1      VAL  15   1.468  -5.464   0.153
   98   HG13  VAL  15          3HG1      VAL  15   0.893  -4.198  -0.931
   99   HG21  VAL  15          3HG2      VAL  15  -1.759  -5.811   0.800
  100   HG22  VAL  15          1HG2      VAL  15  -1.666  -4.977   2.351
  101   HG23  VAL  15          2HG2      VAL  15  -0.472  -6.208   1.939
  102    H    GLY  16           H        GLY  16   0.522  -1.331   1.196
  103    HA2  GLY  16           2HA      GLY  16   2.893  -1.098  -0.414
  104    HA3  GLY  16           1HA      GLY  16   1.898   0.247   0.146
  105    H    LEU  17           H        LEU  17   2.127  -0.103   2.929
  106    HA   LEU  17           HA       LEU  17   4.611   1.211   3.542
  107    HB2  LEU  17           2HB      LEU  17   2.458   1.365   4.797
  108    HB3  LEU  17           1HB      LEU  17   2.676  -0.298   5.336
  109    HG   LEU  17           HG       LEU  17   5.043   1.352   5.841
  110   HD11  LEU  17          1HD1      LEU  17   3.402   3.138   6.122
  111   HD12  LEU  17          2HD1      LEU  17   4.000   2.639   7.704
  112   HD13  LEU  17          3HD1      LEU  17   2.413   2.105   7.153
  113   HD21  LEU  17          3HD2      LEU  17   4.249  -0.969   6.775
  114   HD22  LEU  17          1HD2      LEU  17   3.303   0.005   7.902
  115   HD23  LEU  17          2HD2      LEU  17   5.060   0.158   7.862
  116    H    VAL  18           H        VAL  18   3.573  -2.207   3.999
  117    HA   VAL  18           HA       VAL  18   5.937  -3.129   5.336
  118    HB   VAL  18           HB       VAL  18   3.958  -4.511   3.478
  119   HG11  VAL  18          1HG1      VAL  18   6.136  -5.757   3.740
  120   HG12  VAL  18          2HG1      VAL  18   4.736  -6.619   4.376
  121   HG13  VAL  18          3HG1      VAL  18   5.841  -5.796   5.478
  122   HG21  VAL  18          3HG2      VAL  18   4.108  -4.733   6.485
  123   HG22  VAL  18          1HG2      VAL  18   2.743  -5.075   5.423
  124   HG23  VAL  18          2HG2      VAL  18   3.228  -3.408   5.726
  125    H    LEU  19           H        LEU  19   5.122  -2.918   1.866
  126    HA   LEU  19           HA       LEU  19   7.551  -4.074   0.833
  127    HB2  LEU  19           2HB      LEU  19   5.224  -3.529  -0.244
  128    HB3  LEU  19           1HB      LEU  19   5.914  -1.931  -0.527
  129    HG   LEU  19           HG       LEU  19   7.916  -3.213  -1.574
  130   HD11  LEU  19          1HD1      LEU  19   7.244  -5.403  -2.558
  131   HD12  LEU  19          2HD1      LEU  19   5.748  -5.338  -1.625
  132   HD13  LEU  19          3HD1      LEU  19   7.302  -5.448  -0.796
  133   HD21  LEU  19          3HD2      LEU  19   5.181  -3.197  -2.896
  134   HD22  LEU  19          1HD2      LEU  19   6.716  -3.343  -3.750
  135   HD23  LEU  19          2HD2      LEU  19   6.331  -1.860  -2.878
  136    H    LEU  20           H        LEU  20   6.562  -0.763   1.646
  137    HA   LEU  20           HA       LEU  20   8.776   0.725   0.672
  138    HB2  LEU  20           2HB      LEU  20   6.487   1.009   2.442
  139    HB3  LEU  20           1HB      LEU  20   7.863   1.873   3.101
  140    HG   LEU  20           HG       LEU  20   6.493   3.300   1.627
  141   HD11  LEU  20          1HD1      LEU  20   8.285   4.300   0.466
  142   HD12  LEU  20          2HD1      LEU  20   9.098   2.757   0.211
  143   HD13  LEU  20          3HD1      LEU  20   9.055   3.475   1.820
  144   HD21  LEU  20          3HD2      LEU  20   7.072   2.541  -0.953
  145   HD22  LEU  20          1HD2      LEU  20   5.548   2.214  -0.131
  146   HD23  LEU  20          2HD2      LEU  20   6.807   0.983  -0.174
  147    H    THR  21           H        THR  21   8.247  -0.611   3.962
  148    HA   THR  21           HA       THR  21  10.794   0.063   5.071
  149    HB   THR  21           HB       THR  21   8.994  -2.291   5.736
  150    HG1  THR  21           1HG      THR  21   8.793   0.472   6.310
  151   HG21  THR  21          3HG2      THR  21  10.906  -0.633   7.403
  152   HG22  THR  21          1HG2      THR  21  11.110  -2.323   6.943
  153   HG23  THR  21          2HG2      THR  21   9.815  -1.859   8.046
  154    H    LEU  22           H        LEU  22   9.728  -2.741   3.169
  155    HA   LEU  22           HA       LEU  22  12.012  -4.438   3.569
  156    HB2  LEU  22           2HB      LEU  22   9.596  -4.306   1.971
  157    HB3  LEU  22           1HB      LEU  22  10.947  -4.832   0.971
  158    HG   LEU  22           HG       LEU  22  11.499  -6.537   2.745
  159   HD11  LEU  22          1HD1      LEU  22  10.190  -5.277   4.545
  160   HD12  LEU  22          2HD1      LEU  22   9.924  -7.019   4.481
  161   HD13  LEU  22          3HD1      LEU  22   8.728  -5.919   3.798
  162   HD21  LEU  22          3HD2      LEU  22   9.857  -8.095   1.970
  163   HD22  LEU  22          1HD2      LEU  22  10.085  -6.945   0.653
  164   HD23  LEU  22          2HD2      LEU  22   8.671  -6.819   1.700
  165    H    SER  23           H        SER  23  11.290  -1.884   1.187
  166    HA   SER  23           HA       SER  23  13.707  -2.261  -0.382
  167    HB2  SER  23           2HB      SER  23  11.570  -0.146  -0.116
  168    HB3  SER  23           1HB      SER  23  12.966   0.111  -1.155
  169    HG   SER  23           HG       SER  23  10.900  -1.798  -1.321
  170    HA   PRO  24           HA       PRO  24  16.606  -0.037   2.086
  171    HB2  PRO  24           2HB      PRO  24  18.161   1.167   0.187
  172    HB3  PRO  24           1HB      PRO  24  18.219  -0.574   0.536
  173    HG2  PRO  24           2HG      PRO  24  16.828   0.861  -1.667
  174    HG3  PRO  24           1HG      PRO  24  17.719  -0.669  -1.702
  175    HD2  PRO  24           2HD      PRO  24  15.016  -0.544  -1.655
  176    HD3  PRO  24           1HD      PRO  24  15.936  -1.885  -0.934
  177    H    HIS  25           H        HIS  25  15.207   1.505   3.087
  178    HA   HIS  25           HA       HIS  25  14.129   3.881   1.962
  179    HB2  HIS  25           2HB      HIS  25  14.833   2.853   4.673
  180    HB3  HIS  25           1HB      HIS  25  14.509   4.578   4.533
  181    HD1  HIS  25           1HD      HIS  25  12.134   5.199   3.370
  182    HD2  HIS  25           2HD      HIS  25  12.545   1.277   4.715
  183    HE1  HIS  25           1HE      HIS  25   9.796   4.245   3.510
  184    H    TYR  26           H        TYR  26  17.304   3.356   3.544
  185    HA   TYR  26           HA       TYR  26  18.106   6.153   2.911
  186    HB2  TYR  26           2HB      TYR  26  19.073   3.940   4.706
  187    HB3  TYR  26           1HB      TYR  26  20.182   5.235   4.262
  188    HD1  TYR  26           2HD      TYR  26  17.036   4.417   6.013
  189    HD2  TYR  26           1HD      TYR  26  19.835   7.521   5.018
  190    HE1  TYR  26           2HE      TYR  26  15.987   5.904   7.697
  191    HE2  TYR  26           1HE      TYR  26  18.784   9.007   6.702
  192    HH   TYR  26           HH       TYR  26  17.201   8.265   9.075
  193    H    LYS  27           H        LYS  27  18.786   6.308   0.808
  194    HA   LYS  27           HA       LYS  27  21.007   4.545  -0.087
  195    HB2  LYS  27           2HB      LYS  27  19.813   4.236  -2.279
  196    HB3  LYS  27           1HB      LYS  27  19.028   3.447  -0.918
  197    HG2  LYS  27           2HG      LYS  27  17.131   4.558  -1.396
  198    HG3  LYS  27           1HG      LYS  27  17.956   6.083  -1.076
  199    HD2  LYS  27           2HD      LYS  27  18.899   5.833  -3.482
  200    HD3  LYS  27           1HD      LYS  27  17.605   4.655  -3.707
  201    HE2  LYS  27           2HE      LYS  27  16.085   6.572  -2.689
  202    HE3  LYS  27           1HE      LYS  27  17.404   7.620  -3.244
  203    HZ1  LYS  27           3HZ      LYS  27  17.270   6.535  -5.429
  204    HZ2  LYS  27           1HZ      LYS  27  15.823   7.320  -5.024
  205    HZ3  LYS  27           2HZ      LYS  27  15.930   5.630  -4.896
  Start of MODEL   34
    1    H1   MET   1           1HT      MET   1  -9.308   5.589  14.817
    2    H2   MET   1           2HT      MET   1  -8.676   4.480  15.937
    3    H3   MET   1           3HT      MET   1  -8.760   6.130  16.327
    4    HA   MET   1           HA       MET   1 -10.530   4.822  17.426
    5    HB2  MET   1           2HB      MET   1 -10.612   7.243  15.927
    6    HB3  MET   1           1HB      MET   1 -12.163   6.439  15.688
    7    HG2  MET   1           2HG      MET   1 -12.696   6.492  17.959
    8    HG3  MET   1           1HG      MET   1 -11.008   6.610  18.457
    9    HE1  MET   1           2HE      MET   1 -14.189   8.734  18.456
   10    HE2  MET   1           3HE      MET   1 -13.976   8.059  16.843
   11    HE3  MET   1           1HE      MET   1 -13.909   9.812  17.093
   12    H    ASP   2           H        ASP   2 -12.953   4.256  16.767
   13    HA   ASP   2           HA       ASP   2 -14.446   2.794  15.739
   14    HB2  ASP   2           2HB      ASP   2 -12.697   3.692  13.459
   15    HB3  ASP   2           1HB      ASP   2 -13.961   2.495  13.194
   16    H    ARG   3           H        ARG   3 -14.573   0.643  14.558
   17    HA   ARG   3           HA       ARG   3 -12.129  -1.046  14.952
   18    HB2  ARG   3           2HB      ARG   3 -14.577  -0.997  16.488
   19    HB3  ARG   3           1HB      ARG   3 -14.428  -2.552  15.673
   20    HG2  ARG   3           2HG      ARG   3 -11.938  -1.532  16.921
   21    HG3  ARG   3           1HG      ARG   3 -13.223  -1.973  18.043
   22    HD2  ARG   3           2HD      ARG   3 -12.280  -4.065  17.812
   23    HD3  ARG   3           1HD      ARG   3 -13.329  -4.122  16.385
   24    HE   ARG   3           HE       ARG   3 -10.821  -2.837  15.733
   25   HH11  ARG   3          1HH1      ARG   3  -9.830  -5.281  17.118
   26   HH12  ARG   3          2HH1      ARG   3  -9.802  -6.451  15.844
   27   HH21  ARG   3          1HH2      ARG   3 -11.871  -4.592  13.742
   28   HH22  ARG   3          2HH2      ARG   3 -10.968  -6.060  13.915
   29    H    GLU   4           H        GLU   4 -15.518  -1.099  13.739
   30    HA   GLU   4           HA       GLU   4 -15.091  -3.204  11.813
   31    HB2  GLU   4           2HB      GLU   4 -17.159  -1.050  12.268
   32    HB3  GLU   4           1HB      GLU   4 -17.262  -2.111  10.865
   33    HG2  GLU   4           2HG      GLU   4 -18.297  -3.608  12.192
   34    HG3  GLU   4           1HG      GLU   4 -16.747  -3.848  12.995
   35    H    MET   5           H        MET   5 -14.826   0.347  11.642
   36    HA   MET   5           HA       MET   5 -14.128   0.214   8.749
   37    HB2  MET   5           2HB      MET   5 -15.135   2.216  10.697
   38    HB3  MET   5           1HB      MET   5 -14.061   2.843   9.446
   39    HG2  MET   5           2HG      MET   5 -16.097   0.966   8.438
   40    HG3  MET   5           1HG      MET   5 -16.762   2.444   9.130
   41    HE1  MET   5           3HE      MET   5 -13.347   1.714   6.984
   42    HE2  MET   5           1HE      MET   5 -14.192   1.845   5.432
   43    HE3  MET   5           2HE      MET   5 -14.726   0.677   6.636
   44    H    ALA   6           H        ALA   6 -12.347  -0.463  11.339
   45    HA   ALA   6           HA       ALA   6 -10.038   1.323  10.708
   46    HB1  ALA   6           1HB      ALA   6  -9.246   0.617  12.918
   47    HB2  ALA   6           2HB      ALA   6 -10.584  -0.525  13.045
   48    HB3  ALA   6           3HB      ALA   6 -10.905   1.209  13.024
   49    H    ALA   7           H        ALA   7 -11.133  -1.794   9.883
   50    HA   ALA   7           HA       ALA   7  -8.398  -2.981   9.835
   51    HB1  ALA   7           1HB      ALA   7 -11.095  -4.189   9.145
   52    HB2  ALA   7           2HB      ALA   7 -10.388  -4.214  10.761
   53    HB3  ALA   7           3HB      ALA   7  -9.591  -5.062   9.435
   54    H    SER   8           H        SER   8 -11.164  -2.365   7.628
   55    HA   SER   8           HA       SER   8  -9.835  -3.143   5.203
   56    HB2  SER   8           2HB      SER   8 -12.334  -2.788   5.741
   57    HB3  SER   8           1HB      SER   8 -12.025  -1.081   5.446
   58    HG   SER   8           HG       SER   8 -12.718  -2.330   3.578
   59    H    ALA   9           H        ALA   9  -9.832  -0.082   7.008
   60    HA   ALA   9           HA       ALA   9  -8.868   1.616   4.886
   61    HB1  ALA   9           1HB      ALA   9  -8.562   1.778   7.903
   62    HB2  ALA   9           2HB      ALA   9  -9.911   2.425   6.967
   63    HB3  ALA   9           3HB      ALA   9  -8.297   3.113   6.782
   64    H    GLY  10           H        GLY  10  -7.154  -0.207   7.459
   65    HA2  GLY  10           2HA      GLY  10  -4.542   0.527   6.276
   66    HA3  GLY  10           1HA      GLY  10  -4.784  -0.339   7.793
   67    H    GLY  11           H        GLY  11  -5.951  -0.992   4.463
   68    HA2  GLY  11           2HA      GLY  11  -4.896  -3.773   4.745
   69    HA3  GLY  11           1HA      GLY  11  -6.215  -3.296   3.668
   70    H    ALA  12           H        ALA  12  -5.656  -1.795   1.881
   71    HA   ALA  12           HA       ALA  12  -3.388  -2.693   0.362
   72    HB1  ALA  12           1HB      ALA  12  -4.165  -1.139  -1.256
   73    HB2  ALA  12           2HB      ALA  12  -4.838  -0.068  -0.028
   74    HB3  ALA  12           3HB      ALA  12  -5.620  -1.610  -0.378
   75    H    VAL  13           H        VAL  13  -3.944   0.281   2.273
   76    HA   VAL  13           HA       VAL  13  -1.502   1.640   1.707
   77    HB   VAL  13           HB       VAL  13  -3.181   1.574   4.245
   78   HG11  VAL  13          1HG1      VAL  13  -1.142   3.573   3.221
   79   HG12  VAL  13          2HG1      VAL  13  -1.046   2.621   4.704
   80   HG13  VAL  13          3HG1      VAL  13  -2.255   3.895   4.550
   81   HG21  VAL  13          3HG2      VAL  13  -4.723   2.375   2.740
   82   HG22  VAL  13          1HG2      VAL  13  -3.491   2.883   1.586
   83   HG23  VAL  13          2HG2      VAL  13  -3.845   3.883   2.994
   84    H    PHE  14           H        PHE  14  -2.296  -0.808   4.185
   85    HA   PHE  14           HA       PHE  14   0.248  -0.800   5.532
   86    HB2  PHE  14           2HB      PHE  14  -2.056  -1.754   6.223
   87    HB3  PHE  14           1HB      PHE  14  -1.621  -3.159   5.252
   88    HD1  PHE  14           1HD      PHE  14  -0.712  -1.133   8.215
   89    HD2  PHE  14           2HD      PHE  14   0.083  -4.711   5.975
   90    HE1  PHE  14           1HE      PHE  14   0.651  -2.006  10.094
   91    HE2  PHE  14           2HE      PHE  14   1.446  -5.584   7.855
   92    HZ   PHE  14           HZ       PHE  14   1.730  -4.232   9.914
   93    H    VAL  15           H        VAL  15  -1.037  -2.747   2.808
   94    HA   VAL  15           HA       VAL  15   1.135  -4.569   2.509
   95    HB   VAL  15           HB       VAL  15  -0.799  -3.317   0.526
   96   HG11  VAL  15          1HG1      VAL  15  -0.223  -5.348  -0.890
   97   HG12  VAL  15          2HG1      VAL  15   1.174  -5.586   0.161
   98   HG13  VAL  15          3HG1      VAL  15   1.034  -4.115  -0.802
   99   HG21  VAL  15          3HG2      VAL  15  -2.139  -5.222   0.882
  100   HG22  VAL  15          1HG2      VAL  15  -1.542  -4.857   2.500
  101   HG23  VAL  15          2HG2      VAL  15  -0.802  -6.151   1.559
  102    H    GLY  16           H        GLY  16   0.657  -1.295   1.134
  103    HA2  GLY  16           2HA      GLY  16   3.113  -1.239  -0.371
  104    HA3  GLY  16           1HA      GLY  16   2.162   0.174   0.091
  105    H    LEU  17           H        LEU  17   2.222  -0.190   2.918
  106    HA   LEU  17           HA       LEU  17   4.669   1.096   3.636
  107    HB2  LEU  17           2HB      LEU  17   2.444  -0.297   5.121
  108    HB3  LEU  17           1HB      LEU  17   3.841   0.323   5.997
  109    HG   LEU  17           HG       LEU  17   2.177   2.013   4.110
  110   HD11  LEU  17          1HD1      LEU  17   2.042   1.828   7.137
  111   HD12  LEU  17          2HD1      LEU  17   0.812   1.227   6.023
  112   HD13  LEU  17          3HD1      LEU  17   1.136   2.957   6.129
  113   HD21  LEU  17          3HD2      LEU  17   4.403   2.905   4.460
  114   HD22  LEU  17          1HD2      LEU  17   4.296   2.624   6.197
  115   HD23  LEU  17          2HD2      LEU  17   3.290   3.857   5.439
  116    H    VAL  18           H        VAL  18   3.688  -2.344   3.802
  117    HA   VAL  18           HA       VAL  18   6.030  -3.280   5.210
  118    HB   VAL  18           HB       VAL  18   4.119  -4.652   3.277
  119   HG11  VAL  18          1HG1      VAL  18   5.877  -5.933   5.389
  120   HG12  VAL  18          2HG1      VAL  18   6.318  -5.853   3.683
  121   HG13  VAL  18          3HG1      VAL  18   4.884  -6.748   4.181
  122   HG21  VAL  18          3HG2      VAL  18   2.640  -4.740   4.988
  123   HG22  VAL  18          1HG2      VAL  18   3.656  -3.567   5.824
  124   HG23  VAL  18          2HG2      VAL  18   3.878  -5.291   6.115
  125    H    LEU  19           H        LEU  19   5.247  -2.933   1.742
  126    HA   LEU  19           HA       LEU  19   7.725  -4.066   0.752
  127    HB2  LEU  19           2HB      LEU  19   5.335  -3.524  -0.326
  128    HB3  LEU  19           1HB      LEU  19   6.151  -2.029  -0.781
  129    HG   LEU  19           HG       LEU  19   7.528  -4.650  -1.278
  130   HD11  LEU  19          1HD1      LEU  19   5.418  -3.414  -3.075
  131   HD12  LEU  19          2HD1      LEU  19   5.255  -4.936  -2.197
  132   HD13  LEU  19          3HD1      LEU  19   6.446  -4.786  -3.489
  133   HD21  LEU  19          3HD2      LEU  19   7.468  -1.928  -2.623
  134   HD22  LEU  19          1HD2      LEU  19   8.361  -3.313  -3.252
  135   HD23  LEU  19          2HD2      LEU  19   8.795  -2.621  -1.690
  136    H    LEU  20           H        LEU  20   6.595  -0.730   1.390
  137    HA   LEU  20           HA       LEU  20   8.985   0.611   0.465
  138    HB2  LEU  20           2HB      LEU  20   6.518   1.421   1.065
  139    HB3  LEU  20           1HB      LEU  20   7.237   1.697   2.651
  140    HG   LEU  20           HG       LEU  20   9.146   2.811   1.076
  141   HD11  LEU  20          1HD1      LEU  20   8.115   4.058  -0.725
  142   HD12  LEU  20          2HD1      LEU  20   6.518   3.445  -0.296
  143   HD13  LEU  20          3HD1      LEU  20   7.735   2.352  -0.955
  144   HD21  LEU  20          3HD2      LEU  20   6.607   4.218   1.970
  145   HD22  LEU  20          1HD2      LEU  20   8.183   4.964   1.711
  146   HD23  LEU  20          2HD2      LEU  20   7.957   3.821   3.034
  147    H    THR  21           H        THR  21   7.963  -0.730   3.592
  148    HA   THR  21           HA       THR  21  10.545   0.102   4.847
  149    HB   THR  21           HB       THR  21   8.190  -1.199   6.224
  150    HG1  THR  21           1HG      THR  21   7.116   0.439   5.373
  151   HG21  THR  21          3HG2      THR  21  10.377  -0.770   7.407
  152   HG22  THR  21          1HG2      THR  21   8.980   0.015   8.141
  153   HG23  THR  21          2HG2      THR  21  10.101   0.953   7.155
  154    H    LEU  22           H        LEU  22  10.418  -2.094   2.868
  155    HA   LEU  22           HA       LEU  22  10.499  -4.634   4.322
  156    HB2  LEU  22           2HB      LEU  22   9.850  -4.013   1.844
  157    HB3  LEU  22           1HB      LEU  22  11.580  -4.198   1.557
  158    HG   LEU  22           HG       LEU  22  10.442  -6.364   3.180
  159   HD11  LEU  22          1HD1      LEU  22   9.558  -6.069   0.292
  160   HD12  LEU  22          2HD1      LEU  22   8.504  -5.887   1.694
  161   HD13  LEU  22          3HD1      LEU  22   9.243  -7.448   1.343
  162   HD21  LEU  22          3HD2      LEU  22  12.721  -6.319   2.148
  163   HD22  LEU  22          1HD2      LEU  22  11.966  -6.339   0.552
  164   HD23  LEU  22          2HD2      LEU  22  11.771  -7.714   1.638
  165    H    SER  23           H        SER  23  12.848  -2.189   3.379
  166    HA   SER  23           HA       SER  23  15.108  -1.937   3.917
  167    HB2  SER  23           2HB      SER  23  14.762  -4.523   5.468
  168    HB3  SER  23           1HB      SER  23  16.051  -3.350   5.660
  169    HG   SER  23           HG       SER  23  13.315  -3.163   6.330
  170    HA   PRO  24           HA       PRO  24  17.228  -4.337   0.909
  171    HB2  PRO  24           2HB      PRO  24  19.829  -4.122   1.721
  172    HB3  PRO  24           1HB      PRO  24  18.923  -2.777   1.000
  173    HG2  PRO  24           2HG      PRO  24  19.567  -3.306   3.846
  174    HG3  PRO  24           1HG      PRO  24  19.489  -1.771   2.968
  175    HD2  PRO  24           2HD      PRO  24  17.529  -2.682   4.640
  176    HD3  PRO  24           1HD      PRO  24  17.253  -1.543   3.304
  177    H    HIS  25           H        HIS  25  19.241  -6.075   0.919
  178    HA   HIS  25           HA       HIS  25  19.904  -8.258   1.412
  179    HB2  HIS  25           2HB      HIS  25  20.469  -6.918   3.542
  180    HB3  HIS  25           1HB      HIS  25  19.034  -7.659   4.247
  181    HD1  HIS  25           1HD      HIS  25  19.053 -10.271   4.535
  182    HD2  HIS  25           2HD      HIS  25  22.677  -8.661   3.244
  183    HE1  HIS  25           1HE      HIS  25  20.791 -12.091   4.826
  184    H    TYR  26           H        TYR  26  17.570  -8.357   0.183
  185    HA   TYR  26           HA       TYR  26  15.956 -10.350   1.734
  186    HB2  TYR  26           2HB      TYR  26  15.021  -7.966   1.604
  187    HB3  TYR  26           1HB      TYR  26  14.806  -8.258  -0.122
  188    HD1  TYR  26           1HD      TYR  26  13.994  -9.709   3.233
  189    HD2  TYR  26           2HD      TYR  26  12.895  -9.370  -0.906
  190    HE1  TYR  26           1HE      TYR  26  11.879 -10.917   3.695
  191    HE2  TYR  26           2HE      TYR  26  10.780 -10.578  -0.445
  192    HH   TYR  26           HH       TYR  26  10.128 -12.409   1.639
  193    H    LYS  27           H        LYS  27  15.658 -12.213   0.591
  194    HA   LYS  27           HA       LYS  27  15.339 -12.256  -2.315
  195    HB2  LYS  27           2HB      LYS  27  17.361 -13.627  -2.723
  196    HB3  LYS  27           1HB      LYS  27  17.773 -12.032  -2.102
  197    HG2  LYS  27           2HG      LYS  27  17.610 -13.370   0.236
  198    HG3  LYS  27           1HG      LYS  27  18.062 -14.705  -0.821
  199    HD2  LYS  27           2HD      LYS  27  20.165 -13.921  -1.122
  200    HD3  LYS  27           1HD      LYS  27  19.620 -12.254  -1.299
  201    HE2  LYS  27           2HE      LYS  27  19.592 -13.596   1.409
  202    HE3  LYS  27           1HE      LYS  27  21.064 -12.823   0.789
  203    HZ1  LYS  27           3HZ      LYS  27  19.644 -10.831   0.298
  204    HZ2  LYS  27           1HZ      LYS  27  19.864 -11.159   1.944
  205    HZ3  LYS  27           2HZ      LYS  27  18.401 -11.571   1.191
  Start of MODEL   35
    1    H1   MET   1           1HT      MET   1  -5.196 -16.995   2.383
    2    H2   MET   1           2HT      MET   1  -5.251 -18.647   2.002
    3    H3   MET   1           3HT      MET   1  -3.853 -17.739   1.668
    4    HA   MET   1           HA       MET   1  -4.921 -18.239   4.403
    5    HB2  MET   1           2HB      MET   1  -3.146 -19.916   4.559
    6    HB3  MET   1           1HB      MET   1  -4.194 -20.291   3.197
    7    HG2  MET   1           2HG      MET   1  -2.578 -19.669   1.619
    8    HG3  MET   1           1HG      MET   1  -1.713 -18.639   2.758
    9    HE1  MET   1           2HE      MET   1  -0.767 -19.503   4.929
   10    HE2  MET   1           3HE      MET   1   0.560 -19.430   3.775
   11    HE3  MET   1           1HE      MET   1   0.406 -20.814   4.870
   12    H    ASP   2           H        ASP   2  -2.694 -18.144   5.821
   13    HA   ASP   2           HA       ASP   2  -1.134 -16.718   6.827
   14    HB2  ASP   2           2HB      ASP   2  -0.377 -17.309   4.242
   15    HB3  ASP   2           1HB      ASP   2  -0.246 -15.552   4.286
   16    H    ARG   3           H        ARG   3  -3.756 -15.607   6.655
   17    HA   ARG   3           HA       ARG   3  -3.243 -12.717   6.045
   18    HB2  ARG   3           2HB      ARG   3  -5.427 -14.570   5.596
   19    HB3  ARG   3           1HB      ARG   3  -5.985 -13.182   6.531
   20    HG2  ARG   3           2HG      ARG   3  -4.624 -11.790   4.769
   21    HG3  ARG   3           1HG      ARG   3  -4.779 -13.240   3.778
   22    HD2  ARG   3           2HD      ARG   3  -7.320 -12.507   5.043
   23    HD3  ARG   3           1HD      ARG   3  -6.691 -11.226   3.989
   24    HE   ARG   3           HE       ARG   3  -6.749 -14.033   2.976
   25   HH11  ARG   3          1HH1      ARG   3  -5.983 -11.642   1.280
   26   HH12  ARG   3          2HH1      ARG   3  -7.444 -11.356   0.397
   27   HH21  ARG   3          1HH2      ARG   3  -9.411 -13.284   2.532
   28   HH22  ARG   3          2HH2      ARG   3  -9.403 -12.294   1.113
   29    H    GLU   4           H        GLU   4  -2.695 -11.602   7.836
   30    HA   GLU   4           HA       GLU   4  -4.294 -11.916  10.324
   31    HB2  GLU   4           2HB      GLU   4  -2.261 -13.420  10.333
   32    HB3  GLU   4           1HB      GLU   4  -1.256 -11.978  10.243
   33    HG2  GLU   4           2HG      GLU   4  -2.486 -11.172  12.344
   34    HG3  GLU   4           1HG      GLU   4  -3.113 -12.816  12.478
   35    H    MET   5           H        MET   5  -1.222 -10.160   9.641
   36    HA   MET   5           HA       MET   5  -2.736  -7.581   9.916
   37    HB2  MET   5           2HB      MET   5  -0.395  -8.717  11.355
   38    HB3  MET   5           1HB      MET   5  -0.292  -7.006  10.939
   39    HG2  MET   5           2HG      MET   5  -2.361  -6.523  12.085
   40    HG3  MET   5           1HG      MET   5  -2.676  -8.239  12.343
   41    HE1  MET   5           3HE      MET   5  -1.306  -9.781  13.550
   42    HE2  MET   5           1HE      MET   5  -2.334  -9.110  14.828
   43    HE3  MET   5           2HE      MET   5  -0.624  -9.401  15.127
   44    H    ALA   6           H        ALA   6  -2.264  -8.647   7.405
   45    HA   ALA   6           HA       ALA   6   0.175  -7.301   6.327
   46    HB1  ALA   6           1HB      ALA   6  -0.374  -8.694   4.322
   47    HB2  ALA   6           2HB      ALA   6  -1.783  -9.315   5.180
   48    HB3  ALA   6           3HB      ALA   6  -0.163  -9.656   5.785
   49    H    ALA   7           H        ALA   7  -3.383  -7.365   5.970
   50    HA   ALA   7           HA       ALA   7  -3.225  -4.749   4.510
   51    HB1  ALA   7           1HB      ALA   7  -5.388  -6.672   3.847
   52    HB2  ALA   7           2HB      ALA   7  -3.762  -7.132   3.340
   53    HB3  ALA   7           3HB      ALA   7  -4.461  -5.610   2.788
   54    H    SER   8           H        SER   8  -3.564  -4.239   6.957
   55    HA   SER   8           HA       SER   8  -6.442  -4.421   7.718
   56    HB2  SER   8           2HB      SER   8  -4.184  -5.024   9.112
   57    HB3  SER   8           1HB      SER   8  -4.437  -3.359   9.621
   58    HG   SER   8           HG       SER   8  -5.703  -5.541  10.432
   59    H    ALA   9           H        ALA   9  -4.134  -2.094   6.566
   60    HA   ALA   9           HA       ALA   9  -5.677   0.208   7.647
   61    HB1  ALA   9           1HB      ALA   9  -3.154   0.089   7.689
   62    HB2  ALA   9           2HB      ALA   9  -3.776   1.503   6.839
   63    HB3  ALA   9           3HB      ALA   9  -3.173   0.120   5.926
   64    H    GLY  10           H        GLY  10  -7.322  -1.124   6.072
   65    HA2  GLY  10           2HA      GLY  10  -8.850  -0.418   4.361
   66    HA3  GLY  10           1HA      GLY  10  -7.556   0.525   3.623
   67    H    GLY  11           H        GLY  11  -6.579  -2.650   4.563
   68    HA2  GLY  11           2HA      GLY  11  -5.936  -4.502   3.322
   69    HA3  GLY  11           1HA      GLY  11  -7.408  -4.245   2.388
   70    H    ALA  12           H        ALA  12  -4.688  -1.995   2.682
   71    HA   ALA  12           HA       ALA  12  -3.511  -2.654   0.091
   72    HB1  ALA  12           1HB      ALA  12  -5.520  -0.422   0.393
   73    HB2  ALA  12           2HB      ALA  12  -5.444  -1.673  -0.848
   74    HB3  ALA  12           3HB      ALA  12  -4.272  -0.355  -0.853
   75    H    VAL  13           H        VAL  13  -4.080   0.326   2.037
   76    HA   VAL  13           HA       VAL  13  -1.558   1.548   1.685
   77    HB   VAL  13           HB       VAL  13  -3.332   1.552   4.154
   78   HG11  VAL  13          1HG1      VAL  13  -2.383   3.816   4.508
   79   HG12  VAL  13          2HG1      VAL  13  -1.306   3.566   3.134
   80   HG13  VAL  13          3HG1      VAL  13  -1.141   2.566   4.578
   81   HG21  VAL  13          3HG2      VAL  13  -3.958   3.834   2.866
   82   HG22  VAL  13          1HG2      VAL  13  -4.816   2.323   2.565
   83   HG23  VAL  13          2HG2      VAL  13  -3.536   2.843   1.469
   84    H    PHE  14           H        PHE  14  -2.526  -0.941   4.021
   85    HA   PHE  14           HA       PHE  14  -0.175  -1.009   5.649
   86    HB2  PHE  14           2HB      PHE  14  -2.599  -2.157   5.678
   87    HB3  PHE  14           1HB      PHE  14  -1.698  -3.497   4.989
   88    HD1  PHE  14           2HD      PHE  14   0.607  -4.037   6.211
   89    HD2  PHE  14           1HD      PHE  14  -2.695  -1.961   8.010
   90    HE1  PHE  14           2HE      PHE  14   1.458  -4.628   8.462
   91    HE2  PHE  14           1HE      PHE  14  -1.843  -2.554  10.258
   92    HZ   PHE  14           HZ       PHE  14   0.233  -3.887  10.486
   93    H    VAL  15           H        VAL  15  -1.066  -2.962   2.773
   94    HA   VAL  15           HA       VAL  15   1.307  -4.536   2.603
   95    HB   VAL  15           HB       VAL  15  -0.684  -3.579   0.516
   96   HG11  VAL  15          1HG1      VAL  15   1.411  -4.317  -0.568
   97   HG12  VAL  15          2HG1      VAL  15   0.105  -5.463  -0.862
   98   HG13  VAL  15          3HG1      VAL  15   1.344  -5.831   0.336
   99   HG21  VAL  15          3HG2      VAL  15  -1.849  -5.595   0.928
  100   HG22  VAL  15          1HG2      VAL  15  -1.387  -5.053   2.541
  101   HG23  VAL  15          2HG2      VAL  15  -0.470  -6.329   1.745
  102    H    GLY  16           H        GLY  16   0.507  -1.384   1.069
  103    HA2  GLY  16           2HA      GLY  16   2.920  -1.112  -0.437
  104    HA3  GLY  16           1HA      GLY  16   1.893   0.228   0.073
  105    H    LEU  17           H        LEU  17   2.090  -0.142   2.884
  106    HA   LEU  17           HA       LEU  17   4.501   1.283   3.515
  107    HB2  LEU  17           2HB      LEU  17   2.077   0.577   4.739
  108    HB3  LEU  17           1HB      LEU  17   3.310  -0.186   5.738
  109    HG   LEU  17           HG       LEU  17   4.402   2.307   5.278
  110   HD11  LEU  17          1HD1      LEU  17   1.424   2.457   5.139
  111   HD12  LEU  17          2HD1      LEU  17   2.640   3.501   4.402
  112   HD13  LEU  17          3HD1      LEU  17   2.248   3.674   6.112
  113   HD21  LEU  17          3HD2      LEU  17   3.554   2.772   7.636
  114   HD22  LEU  17          1HD2      LEU  17   4.420   1.249   7.434
  115   HD23  LEU  17          2HD2      LEU  17   2.658   1.257   7.524
  116    H    VAL  18           H        VAL  18   3.604  -2.161   3.933
  117    HA   VAL  18           HA       VAL  18   5.998  -3.025   5.257
  118    HB   VAL  18           HB       VAL  18   3.943  -4.398   3.497
  119   HG11  VAL  18          1HG1      VAL  18   4.912  -6.493   4.751
  120   HG12  VAL  18          2HG1      VAL  18   6.370  -5.508   4.887
  121   HG13  VAL  18          3HG1      VAL  18   5.720  -5.906   3.297
  122   HG21  VAL  18          3HG2      VAL  18   3.310  -3.436   5.773
  123   HG22  VAL  18          1HG2      VAL  18   4.414  -4.614   6.483
  124   HG23  VAL  18          2HG2      VAL  18   3.006  -5.162   5.574
  125    H    LEU  19           H        LEU  19   5.129  -2.870   1.794
  126    HA   LEU  19           HA       LEU  19   7.501  -4.061   0.716
  127    HB2  LEU  19           2HB      LEU  19   5.182  -3.403  -0.308
  128    HB3  LEU  19           1HB      LEU  19   5.948  -1.845  -0.613
  129    HG   LEU  19           HG       LEU  19   7.521  -4.234  -1.413
  130   HD11  LEU  19          1HD1      LEU  19   5.107  -3.336  -3.012
  131   HD12  LEU  19          2HD1      LEU  19   5.180  -4.828  -2.074
  132   HD13  LEU  19          3HD1      LEU  19   6.254  -4.600  -3.455
  133   HD21  LEU  19          3HD2      LEU  19   8.308  -2.783  -3.086
  134   HD22  LEU  19          1HD2      LEU  19   7.980  -1.674  -1.755
  135   HD23  LEU  19          2HD2      LEU  19   6.829  -1.823  -3.084
  136    H    LEU  20           H        LEU  20   6.753  -0.734   1.705
  137    HA   LEU  20           HA       LEU  20   9.111   0.532   0.608
  138    HB2  LEU  20           2HB      LEU  20   6.822   1.481   1.427
  139    HB3  LEU  20           1HB      LEU  20   7.560   1.452   3.028
  140    HG   LEU  20           HG       LEU  20   9.556   2.644   1.651
  141   HD11  LEU  20          1HD1      LEU  20   8.566   2.805  -0.484
  142   HD12  LEU  20          2HD1      LEU  20   8.293   4.399   0.218
  143   HD13  LEU  20          3HD1      LEU  20   6.985   3.216   0.179
  144   HD21  LEU  20          3HD2      LEU  20   8.812   4.703   2.642
  145   HD22  LEU  20          1HD2      LEU  20   8.269   3.413   3.715
  146   HD23  LEU  20          2HD2      LEU  20   7.127   4.182   2.613
  147    H    THR  21           H        THR  21   8.277  -0.657   3.887
  148    HA   THR  21           HA       THR  21  10.796   0.026   5.117
  149    HB   THR  21           HB       THR  21   8.737  -2.077   5.871
  150    HG1  THR  21           1HG      THR  21   7.548  -0.343   6.034
  151   HG21  THR  21          3HG2      THR  21  10.462  -2.480   7.354
  152   HG22  THR  21          1HG2      THR  21   9.620  -1.190   8.214
  153   HG23  THR  21          2HG2      THR  21  11.063  -0.824   7.270
  154    H    LEU  22           H        LEU  22   9.704  -2.822   3.296
  155    HA   LEU  22           HA       LEU  22  11.774  -4.647   4.106
  156    HB2  LEU  22           2HB      LEU  22   9.835  -4.372   1.837
  157    HB3  LEU  22           1HB      LEU  22  11.127  -5.558   1.686
  158    HG   LEU  22           HG       LEU  22   9.336  -5.421   4.120
  159   HD11  LEU  22          1HD1      LEU  22   7.920  -7.082   3.151
  160   HD12  LEU  22          2HD1      LEU  22   9.010  -7.318   1.784
  161   HD13  LEU  22          3HD1      LEU  22   8.085  -5.823   1.928
  162   HD21  LEU  22          3HD2      LEU  22  11.433  -6.640   4.428
  163   HD22  LEU  22          1HD2      LEU  22  11.158  -7.549   2.941
  164   HD23  LEU  22          2HD2      LEU  22  10.107  -7.799   4.334
  165    H    SER  23           H        SER  23  11.510  -2.862   0.988
  166    HA   SER  23           HA       SER  23  14.362  -2.150   1.046
  167    HB2  SER  23           2HB      SER  23  13.767  -4.665   0.188
  168    HB3  SER  23           1HB      SER  23  13.624  -3.779  -1.326
  169    HG   SER  23           HG       SER  23  15.723  -3.410  -1.290
  170    HA   PRO  24           HA       PRO  24  11.978   0.948  -1.272
  171    HB2  PRO  24           2HB      PRO  24  13.899   2.893  -1.183
  172    HB3  PRO  24           1HB      PRO  24  12.795   2.557   0.169
  173    HG2  PRO  24           2HG      PRO  24  15.614   1.677  -0.221
  174    HG3  PRO  24           1HG      PRO  24  14.809   2.269   1.243
  175    HD2  PRO  24           2HD      PRO  24  15.256  -0.351   0.820
  176    HD3  PRO  24           1HD      PRO  24  13.828   0.242   1.698
  177    H    HIS  25           H        HIS  25  12.056   1.497  -3.471
  178    HA   HIS  25           HA       HIS  25  14.388   0.433  -5.021
  179    HB2  HIS  25           2HB      HIS  25  11.790  -0.248  -5.168
  180    HB3  HIS  25           1HB      HIS  25  11.772   1.110  -6.291
  181    HD1  HIS  25           1HD      HIS  25  14.237  -1.759  -5.694
  182    HD2  HIS  25           2HD      HIS  25  12.222   0.124  -8.822
  183    HE1  HIS  25           1HE      HIS  25  14.966  -2.922  -7.818
  184    H    TYR  26           H        TYR  26  14.846   2.928  -3.922
  185    HA   TYR  26           HA       TYR  26  14.127   5.031  -5.873
  186    HB2  TYR  26           2HB      TYR  26  14.270   5.219  -3.302
  187    HB3  TYR  26           1HB      TYR  26  16.018   5.225  -3.522
  188    HD1  TYR  26           1HD      TYR  26  17.134   7.062  -4.756
  189    HD2  TYR  26           2HD      TYR  26  12.908   7.106  -3.979
  190    HE1  TYR  26           1HE      TYR  26  17.054   9.474  -5.317
  191    HE2  TYR  26           2HE      TYR  26  12.831   9.519  -4.541
  192    HH   TYR  26           HH       TYR  26  15.013  11.495  -4.464
  193    H    LYS  27           H        LYS  27  15.598   5.970  -7.314
  194    HA   LYS  27           HA       LYS  27  18.357   4.802  -7.446
  195    HB2  LYS  27           2HB      LYS  27  16.140   4.588  -9.267
  196    HB3  LYS  27           1HB      LYS  27  17.432   5.501 -10.045
  197    HG2  LYS  27           2HG      LYS  27  18.992   3.621  -9.125
  198    HG3  LYS  27           1HG      LYS  27  17.501   2.692  -8.963
  199    HD2  LYS  27           2HD      LYS  27  18.215   4.085 -11.546
  200    HD3  LYS  27           1HD      LYS  27  18.801   2.462 -11.185
  201    HE2  LYS  27           2HE      LYS  27  15.935   2.715 -10.644
  202    HE3  LYS  27           1HE      LYS  27  16.331   3.072 -12.335
  203    HZ1  LYS  27           3HZ      LYS  27  17.502   1.031 -12.543
  204    HZ2  LYS  27           1HZ      LYS  27  16.005   0.659 -11.839
  205    HZ3  LYS  27           2HZ      LYS  27  17.400   0.715 -10.872
  Start of MODEL   36
    1    H1   MET   1           1HT      MET   1  -0.220   2.916  16.444
    2    H2   MET   1           2HT      MET   1  -1.411   4.119  16.587
    3    H3   MET   1           3HT      MET   1  -0.272   4.193  15.331
    4    HA   MET   1           HA       MET   1  -2.471   3.410  14.555
    5    HB2  MET   1           2HB      MET   1   0.148   2.036  14.361
    6    HB3  MET   1           1HB      MET   1  -1.227   1.088  13.798
    7    HG2  MET   1           2HG      MET   1  -0.847   3.950  12.921
    8    HG3  MET   1           1HG      MET   1  -0.053   2.620  12.078
    9    HE1  MET   1           2HE      MET   1  -1.538   3.999  10.112
   10    HE2  MET   1           3HE      MET   1  -2.639   2.809   9.428
   11    HE3  MET   1           1HE      MET   1  -0.996   2.338   9.892
   12    H    ASP   2           H        ASP   2  -4.212   2.713  15.723
   13    HA   ASP   2           HA       ASP   2  -3.969   0.473  17.644
   14    HB2  ASP   2           2HB      ASP   2  -6.187   1.182  18.334
   15    HB3  ASP   2           1HB      ASP   2  -5.168   2.605  18.157
   16    H    ARG   3           H        ARG   3  -5.429   1.143  14.468
   17    HA   ARG   3           HA       ARG   3  -6.590  -1.608  14.419
   18    HB2  ARG   3           2HB      ARG   3  -7.015   0.961  12.895
   19    HB3  ARG   3           1HB      ARG   3  -7.650  -0.568  12.289
   20    HG2  ARG   3           2HG      ARG   3  -8.442  -0.662  14.914
   21    HG3  ARG   3           1HG      ARG   3  -8.549   1.064  14.580
   22    HD2  ARG   3           2HD      ARG   3  -9.705  -0.864  12.582
   23    HD3  ARG   3           1HD      ARG   3 -10.621  -0.480  14.052
   24    HE   ARG   3           HE       ARG   3 -10.811   1.784  13.323
   25   HH11  ARG   3          1HH1      ARG   3 -11.100   0.519  10.607
   26   HH12  ARG   3          2HH1      ARG   3  -9.967   1.426   9.665
   27   HH21  ARG   3          1HH2      ARG   3  -8.289   2.691  12.448
   28   HH22  ARG   3          2HH2      ARG   3  -8.353   2.661  10.718
   29    H    GLU   4           H        GLU   4  -3.728  -1.319  14.228
   30    HA   GLU   4           HA       GLU   4  -2.698  -1.276  11.557
   31    HB2  GLU   4           2HB      GLU   4  -1.757  -1.557  14.189
   32    HB3  GLU   4           1HB      GLU   4  -1.292  -3.059  13.392
   33    HG2  GLU   4           2HG      GLU   4  -0.744  -0.308  12.245
   34    HG3  GLU   4           1HG      GLU   4   0.421  -1.226  13.197
   35    H    MET   5           H        MET   5  -4.018  -3.909  13.558
   36    HA   MET   5           HA       MET   5  -3.748  -5.796  11.245
   37    HB2  MET   5           2HB      MET   5  -2.748  -6.095  13.677
   38    HB3  MET   5           1HB      MET   5  -4.391  -6.600  14.066
   39    HG2  MET   5           2HG      MET   5  -4.078  -8.072  11.865
   40    HG3  MET   5           1HG      MET   5  -2.374  -7.913  12.291
   41    HE1  MET   5           3HE      MET   5  -5.678 -10.235  14.379
   42    HE2  MET   5           1HE      MET   5  -5.455  -9.903  12.653
   43    HE3  MET   5           2HE      MET   5  -5.913  -8.607  13.751
   44    H    ALA   6           H        ALA   6  -5.946  -3.702  11.800
   45    HA   ALA   6           HA       ALA   6  -8.312  -5.406  12.347
   46    HB1  ALA   6           1HB      ALA   6  -8.026  -2.439  11.776
   47    HB2  ALA   6           2HB      ALA   6  -8.039  -3.168  13.382
   48    HB3  ALA   6           3HB      ALA   6  -9.480  -3.243  12.368
   49    H    ALA   7           H        ALA   7  -7.315  -3.091   9.761
   50    HA   ALA   7           HA       ALA   7  -8.690  -4.861   7.766
   51    HB1  ALA   7           1HB      ALA   7 -10.173  -3.031   8.532
   52    HB2  ALA   7           2HB      ALA   7  -9.767  -2.882   6.822
   53    HB3  ALA   7           3HB      ALA   7  -8.966  -1.856   8.009
   54    H    SER   8           H        SER   8  -5.732  -3.882   8.482
   55    HA   SER   8           HA       SER   8  -3.774  -3.322   7.312
   56    HB2  SER   8           2HB      SER   8  -5.521  -4.928   5.493
   57    HB3  SER   8           1HB      SER   8  -4.054  -4.231   4.818
   58    HG   SER   8           HG       SER   8  -3.676  -6.295   5.719
   59    H    ALA   9           H        ALA   9  -5.656  -1.140   7.486
   60    HA   ALA   9           HA       ALA   9  -6.187   0.941   6.533
   61    HB1  ALA   9           1HB      ALA   9  -3.529   0.317   5.209
   62    HB2  ALA   9           2HB      ALA   9  -3.739   1.025   6.810
   63    HB3  ALA   9           3HB      ALA   9  -4.232   1.925   5.376
   64    H    GLY  10           H        GLY  10  -7.862  -0.595   5.348
   65    HA2  GLY  10           2HA      GLY  10  -9.209  -0.694   3.423
   66    HA3  GLY  10           1HA      GLY  10  -8.019   0.298   2.582
   67    H    GLY  11           H        GLY  11  -6.825  -2.567   4.166
   68    HA2  GLY  11           2HA      GLY  11  -5.803  -4.477   3.315
   69    HA3  GLY  11           1HA      GLY  11  -7.202  -4.581   2.246
   70    H    ALA  12           H        ALA  12  -4.687  -2.068   2.373
   71    HA   ALA  12           HA       ALA  12  -3.349  -2.978  -0.071
   72    HB1  ALA  12           1HB      ALA  12  -4.100  -1.004  -1.400
   73    HB2  ALA  12           2HB      ALA  12  -5.194  -0.564  -0.090
   74    HB3  ALA  12           3HB      ALA  12  -5.441  -2.068  -0.977
   75    H    VAL  13           H        VAL  13  -4.065   0.042   1.754
   76    HA   VAL  13           HA       VAL  13  -1.546   1.311   1.392
   77    HB   VAL  13           HB       VAL  13  -3.636   1.434   3.580
   78   HG11  VAL  13          1HG1      VAL  13  -1.166   3.117   3.155
   79   HG12  VAL  13          2HG1      VAL  13  -1.709   2.329   4.637
   80   HG13  VAL  13          3HG1      VAL  13  -2.577   3.733   4.016
   81   HG21  VAL  13          3HG2      VAL  13  -4.142   3.617   2.394
   82   HG22  VAL  13          1HG2      VAL  13  -4.482   2.168   1.450
   83   HG23  VAL  13          2HG2      VAL  13  -3.024   3.106   1.130
   84    H    PHE  14           H        PHE  14  -2.557  -1.127   3.792
   85    HA   PHE  14           HA       PHE  14  -0.299  -0.968   5.551
   86    HB2  PHE  14           2HB      PHE  14  -2.325  -2.169   6.136
   87    HB3  PHE  14           1HB      PHE  14  -2.154  -3.234   4.743
   88    HD1  PHE  14           2HD      PHE  14  -0.098  -2.100   7.688
   89    HD2  PHE  14           1HD      PHE  14  -1.285  -5.350   5.145
   90    HE1  PHE  14           2HE      PHE  14   1.270  -3.660   9.041
   91    HE2  PHE  14           1HE      PHE  14   0.084  -6.910   6.500
   92    HZ   PHE  14           HZ       PHE  14   1.363  -6.066   8.447
   93    H    VAL  15           H        VAL  15  -0.903  -3.127   2.746
   94    HA   VAL  15           HA       VAL  15   1.616  -4.470   2.730
   95    HB   VAL  15           HB       VAL  15  -0.416  -3.798   0.576
   96   HG11  VAL  15          1HG1      VAL  15   0.727  -5.783  -0.627
   97   HG12  VAL  15          2HG1      VAL  15   2.103  -5.460   0.428
   98   HG13  VAL  15          3HG1      VAL  15   1.541  -4.219  -0.692
   99   HG21  VAL  15          3HG2      VAL  15  -1.048  -5.322   2.499
  100   HG22  VAL  15          1HG2      VAL  15   0.213  -6.427   1.953
  101   HG23  VAL  15          2HG2      VAL  15  -1.162  -6.071   0.908
  102    H    GLY  16           H        GLY  16   0.599  -1.385   1.242
  103    HA2  GLY  16           2HA      GLY  16   2.948  -0.906  -0.309
  104    HA3  GLY  16           1HA      GLY  16   1.851   0.345   0.276
  105    H    LEU  17           H        LEU  17   2.147  -0.090   3.072
  106    HA   LEU  17           HA       LEU  17   4.567   1.398   3.623
  107    HB2  LEU  17           2HB      LEU  17   2.213   0.339   5.044
  108    HB3  LEU  17           1HB      LEU  17   3.670   0.387   6.035
  109    HG   LEU  17           HG       LEU  17   3.931   2.805   5.003
  110   HD11  LEU  17          1HD1      LEU  17   0.929   2.391   4.883
  111   HD12  LEU  17          2HD1      LEU  17   1.978   2.503   3.469
  112   HD13  LEU  17          3HD1      LEU  17   1.800   3.887   4.547
  113   HD21  LEU  17          3HD2      LEU  17   1.763   2.367   7.070
  114   HD22  LEU  17          1HD2      LEU  17   2.918   3.695   6.971
  115   HD23  LEU  17          2HD2      LEU  17   3.467   2.083   7.426
  116    H    VAL  18           H        VAL  18   3.634  -2.021   4.125
  117    HA   VAL  18           HA       VAL  18   6.057  -2.845   5.452
  118    HB   VAL  18           HB       VAL  18   4.069  -4.396   3.739
  119   HG11  VAL  18          1HG1      VAL  18   6.491  -5.328   4.572
  120   HG12  VAL  18          2HG1      VAL  18   5.063  -6.346   4.395
  121   HG13  VAL  18          3HG1      VAL  18   5.501  -5.711   5.980
  122   HG21  VAL  18          3HG2      VAL  18   3.604  -3.046   6.115
  123   HG22  VAL  18          1HG2      VAL  18   3.980  -4.678   6.668
  124   HG23  VAL  18          2HG2      VAL  18   2.663  -4.415   5.528
  125    H    LEU  19           H        LEU  19   5.084  -2.685   2.026
  126    HA   LEU  19           HA       LEU  19   7.458  -3.921   0.915
  127    HB2  LEU  19           2HB      LEU  19   5.272  -3.681  -0.244
  128    HB3  LEU  19           1HB      LEU  19   5.457  -1.930  -0.228
  129    HG   LEU  19           HG       LEU  19   7.802  -3.228  -1.379
  130   HD11  LEU  19          1HD1      LEU  19   6.715  -4.026  -3.438
  131   HD12  LEU  19          2HD1      LEU  19   5.131  -3.678  -2.747
  132   HD13  LEU  19          3HD1      LEU  19   6.142  -4.939  -2.043
  133   HD21  LEU  19          3HD2      LEU  19   5.741  -1.277  -2.466
  134   HD22  LEU  19          1HD2      LEU  19   7.306  -1.623  -3.201
  135   HD23  LEU  19          2HD2      LEU  19   7.229  -0.839  -1.624
  136    H    LEU  20           H        LEU  20   6.593  -0.559   1.772
  137    HA   LEU  20           HA       LEU  20   8.869   0.715   0.586
  138    HB2  LEU  20           2HB      LEU  20   6.792   1.815   1.507
  139    HB3  LEU  20           1HB      LEU  20   7.362   1.436   3.131
  140    HG   LEU  20           HG       LEU  20   9.372   2.796   1.459
  141   HD11  LEU  20          1HD1      LEU  20   6.859   4.274   2.302
  142   HD12  LEU  20          2HD1      LEU  20   7.326   3.920   0.639
  143   HD13  LEU  20          3HD1      LEU  20   8.309   5.009   1.617
  144   HD21  LEU  20          3HD2      LEU  20   8.183   3.371   4.196
  145   HD22  LEU  20          1HD2      LEU  20   9.651   4.093   3.536
  146   HD23  LEU  20          2HD2      LEU  20   9.601   2.367   3.894
  147    H    THR  21           H        THR  21   8.368  -1.044   3.609
  148    HA   THR  21           HA       THR  21  11.184  -0.579   4.448
  149    HB   THR  21           HB       THR  21   8.971  -2.020   5.943
  150    HG1  THR  21           1HG      THR  21   8.029  -0.129   5.879
  151   HG21  THR  21          3HG2      THR  21  10.354  -0.887   7.867
  152   HG22  THR  21          1HG2      THR  21  11.623  -0.807   6.644
  153   HG23  THR  21          2HG2      THR  21  10.949  -2.368   7.115
  154    H    LEU  22           H        LEU  22  10.372  -2.303   2.137
  155    HA   LEU  22           HA       LEU  22  10.995  -4.313   1.176
  156    HB2  LEU  22           2HB      LEU  22  12.988  -3.586   2.764
  157    HB3  LEU  22           1HB      LEU  22  12.526  -5.059   3.613
  158    HG   LEU  22           HG       LEU  22  12.820  -5.168   0.634
  159   HD11  LEU  22          1HD1      LEU  22  15.139  -5.254   2.588
  160   HD12  LEU  22          2HD1      LEU  22  14.849  -3.990   1.392
  161   HD13  LEU  22          3HD1      LEU  22  15.232  -5.630   0.867
  162   HD21  LEU  22          3HD2      LEU  22  13.628  -7.463   1.220
  163   HD22  LEU  22          1HD2      LEU  22  12.011  -7.138   1.847
  164   HD23  LEU  22          2HD2      LEU  22  13.405  -7.076   2.926
  165    H    SER  23           H        SER  23   8.817  -5.008   1.394
  166    HA   SER  23           HA       SER  23   7.823  -6.544   3.650
  167    HB2  SER  23           2HB      SER  23   6.423  -5.327   1.978
  168    HB3  SER  23           1HB      SER  23   6.918  -6.492   0.755
  169    HG   SER  23           HG       SER  23   5.210  -7.523   1.500
  170    HA   PRO  24           HA       PRO  24   9.763 -10.404   2.570
  171    HB2  PRO  24           2HB      PRO  24   8.350 -12.051   4.229
  172    HB3  PRO  24           1HB      PRO  24   9.610 -10.943   4.809
  173    HG2  PRO  24           2HG      PRO  24   6.672 -10.700   4.970
  174    HG3  PRO  24           1HG      PRO  24   7.921 -10.126   6.083
  175    HD2  PRO  24           2HD      PRO  24   6.548  -8.555   4.259
  176    HD3  PRO  24           1HD      PRO  24   8.081  -8.125   5.045
  177    H    HIS  25           H        HIS  25   8.889 -10.427   0.368
  178    HA   HIS  25           HA       HIS  25   6.224 -11.600  -0.123
  179    HB2  HIS  25           2HB      HIS  25   7.879  -9.807  -1.425
  180    HB3  HIS  25           1HB      HIS  25   8.087 -11.274  -2.382
  181    HD1  HIS  25           1HD      HIS  25   5.920  -8.427  -2.102
  182    HD2  HIS  25           2HD      HIS  25   5.338 -12.451  -3.025
  183    HE1  HIS  25           1HE      HIS  25   3.680  -8.576  -3.270
  184    H    TYR  26           H        TYR  26   9.648 -12.530  -0.649
  185    HA   TYR  26           HA       TYR  26   8.740 -15.343  -1.177
  186    HB2  TYR  26           2HB      TYR  26  10.835 -13.538  -2.286
  187    HB3  TYR  26           1HB      TYR  26  11.282 -15.233  -2.112
  188    HD1  TYR  26           2HD      TYR  26   9.934 -17.011  -3.244
  189    HD2  TYR  26           1HD      TYR  26   9.241 -12.828  -3.941
  190    HE1  TYR  26           2HE      TYR  26   8.653 -17.563  -5.294
  191    HE2  TYR  26           1HE      TYR  26   7.961 -13.382  -5.990
  192    HH   TYR  26           HH       TYR  26   8.135 -15.896  -7.643
  193    H    LYS  27           H        LYS  27   8.743 -14.930   1.440
  194    HA   LYS  27           HA       LYS  27  11.380 -15.966   2.430
  195    HB2  LYS  27           2HB      LYS  27  10.588 -13.502   2.918
  196    HB3  LYS  27           1HB      LYS  27   9.539 -14.276   4.105
  197    HG2  LYS  27           2HG      LYS  27  12.440 -15.035   4.038
  198    HG3  LYS  27           1HG      LYS  27  11.982 -13.501   4.773
  199    HD2  LYS  27           2HD      LYS  27  11.486 -14.641   6.653
  200    HD3  LYS  27           1HD      LYS  27  10.127 -15.349   5.783
  201    HE2  LYS  27           2HE      LYS  27  11.287 -17.266   6.486
  202    HE3  LYS  27           1HE      LYS  27  11.968 -17.023   4.868
  203    HZ1  LYS  27           3HZ      LYS  27  13.703 -17.292   6.566
  204    HZ2  LYS  27           1HZ      LYS  27  13.130 -15.917   7.375
  205    HZ3  LYS  27           2HZ      LYS  27  13.781 -15.773   5.809
  Start of MODEL   37
    1    H1   MET   1           1HT      MET   1  -3.571 -19.228  19.257
    2    H2   MET   1           2HT      MET   1  -3.724 -20.171  17.854
    3    H3   MET   1           3HT      MET   1  -5.082 -19.864  18.821
    4    HA   MET   1           HA       MET   1  -5.073 -18.508  16.784
    5    HB2  MET   1           2HB      MET   1  -5.598 -16.429  17.986
    6    HB3  MET   1           1HB      MET   1  -6.210 -17.823  18.867
    7    HG2  MET   1           2HG      MET   1  -5.011 -17.239  20.680
    8    HG3  MET   1           1HG      MET   1  -3.518 -17.259  19.744
    9    HE1  MET   1           2HE      MET   1  -2.166 -15.641  20.254
   10    HE2  MET   1           3HE      MET   1  -2.958 -15.090  21.727
   11    HE3  MET   1           1HE      MET   1  -2.449 -13.921  20.496
   12    H    ASP   2           H        ASP   2  -4.025 -16.933  15.497
   13    HA   ASP   2           HA       ASP   2  -1.285 -16.051  16.298
   14    HB2  ASP   2           2HB      ASP   2  -1.643 -18.273  14.813
   15    HB3  ASP   2           1HB      ASP   2  -1.687 -17.067  13.526
   16    H    ARG   3           H        ARG   3  -0.448 -14.461  14.500
   17    HA   ARG   3           HA       ARG   3  -2.725 -12.694  13.650
   18    HB2  ARG   3           2HB      ARG   3  -1.081 -11.977  15.464
   19    HB3  ARG   3           1HB      ARG   3   0.148 -11.927  14.203
   20    HG2  ARG   3           2HG      ARG   3  -0.584  -9.928  13.488
   21    HG3  ARG   3           1HG      ARG   3  -2.222 -10.546  13.303
   22    HD2  ARG   3           2HD      ARG   3  -2.567  -8.899  14.921
   23    HD3  ARG   3           1HD      ARG   3  -2.254 -10.301  15.961
   24    HE   ARG   3           HE       ARG   3  -0.243  -9.262  16.616
   25   HH11  ARG   3          1HH1      ARG   3  -1.526  -6.738  15.247
   26   HH12  ARG   3          2HH1      ARG   3  -0.161  -6.168  14.348
   27   HH21  ARG   3          1HH2      ARG   3   1.645  -9.128  14.727
   28   HH22  ARG   3          2HH2      ARG   3   1.654  -7.531  14.058
   29    H    GLU   4           H        GLU   4  -2.997 -13.549  11.529
   30    HA   GLU   4           HA       GLU   4  -0.663 -13.754   9.716
   31    HB2  GLU   4           2HB      GLU   4  -3.632 -14.324   9.483
   32    HB3  GLU   4           1HB      GLU   4  -2.513 -14.519   8.133
   33    HG2  GLU   4           2HG      GLU   4  -1.149 -16.073   9.528
   34    HG3  GLU   4           1HG      GLU   4  -2.350 -15.935  10.810
   35    H    MET   5           H        MET   5  -3.836 -12.048   9.594
   36    HA   MET   5           HA       MET   5  -2.908 -10.209   7.530
   37    HB2  MET   5           2HB      MET   5  -5.146  -9.232   7.794
   38    HB3  MET   5           1HB      MET   5  -5.248 -10.985   7.730
   39    HG2  MET   5           2HG      MET   5  -5.058 -10.677  10.402
   40    HG3  MET   5           1HG      MET   5  -5.798  -9.130   9.996
   41    HE1  MET   5           3HE      MET   5  -7.913 -12.683  11.024
   42    HE2  MET   5           1HE      MET   5  -7.593 -11.150  11.852
   43    HE3  MET   5           2HE      MET   5  -6.256 -12.163  11.316
   44    H    ALA   6           H        ALA   6  -3.398  -9.993  11.056
   45    HA   ALA   6           HA       ALA   6  -2.825  -8.348  12.629
   46    HB1  ALA   6           1HB      ALA   6  -0.685  -9.354  11.507
   47    HB2  ALA   6           2HB      ALA   6  -0.527  -7.940  12.547
   48    HB3  ALA   6           3HB      ALA   6  -0.523  -7.749  10.795
   49    H    ALA   7           H        ALA   7  -4.727  -7.340  10.763
   50    HA   ALA   7           HA       ALA   7  -5.678  -5.339  10.018
   51    HB1  ALA   7           1HB      ALA   7  -5.201  -3.439  11.356
   52    HB2  ALA   7           2HB      ALA   7  -3.543  -3.959  11.653
   53    HB3  ALA   7           3HB      ALA   7  -4.886  -4.812  12.418
   54    H    SER   8           H        SER   8  -4.986  -5.653   7.848
   55    HA   SER   8           HA       SER   8  -2.395  -4.496   6.980
   56    HB2  SER   8           2HB      SER   8  -4.492  -5.762   5.226
   57    HB3  SER   8           1HB      SER   8  -2.751  -5.718   4.997
   58    HG   SER   8           HG       SER   8  -2.619  -7.084   6.895
   59    H    ALA   9           H        ALA   9  -4.854  -2.781   7.835
   60    HA   ALA   9           HA       ALA   9  -6.063  -0.908   7.078
   61    HB1  ALA   9           1HB      ALA   9  -3.556  -0.363   7.214
   62    HB2  ALA   9           2HB      ALA   9  -4.551   0.736   6.257
   63    HB3  ALA   9           3HB      ALA   9  -3.554  -0.473   5.454
   64    H    GLY  10           H        GLY  10  -7.403  -2.598   5.808
   65    HA2  GLY  10           2HA      GLY  10  -8.714  -2.974   3.902
   66    HA3  GLY  10           1HA      GLY  10  -7.931  -1.581   3.160
   67    H    GLY  11           H        GLY  11  -5.762  -4.030   4.312
   68    HA2  GLY  11           2HA      GLY  11  -4.296  -5.445   3.194
   69    HA3  GLY  11           1HA      GLY  11  -5.672  -5.863   2.175
   70    H    ALA  12           H        ALA  12  -4.311  -2.618   2.434
   71    HA   ALA  12           HA       ALA  12  -2.853  -2.836  -0.129
   72    HB1  ALA  12           1HB      ALA  12  -5.303  -1.079   0.267
   73    HB2  ALA  12           2HB      ALA  12  -5.221  -2.508  -0.763
   74    HB3  ALA  12           3HB      ALA  12  -4.268  -1.077  -1.161
   75    H    VAL  13           H        VAL  13  -4.294  -0.387   2.082
   76    HA   VAL  13           HA       VAL  13  -2.259   1.585   1.848
   77    HB   VAL  13           HB       VAL  13  -4.152   0.837   4.101
   78   HG11  VAL  13          1HG1      VAL  13  -2.641   3.440   3.745
   79   HG12  VAL  13          2HG1      VAL  13  -2.210   2.197   4.920
   80   HG13  VAL  13          3HG1      VAL  13  -3.757   3.033   5.048
   81   HG21  VAL  13          3HG2      VAL  13  -5.293   1.498   2.061
   82   HG22  VAL  13          1HG2      VAL  13  -4.246   2.907   1.886
   83   HG23  VAL  13          2HG2      VAL  13  -5.403   2.826   3.216
   84    H    PHE  14           H        PHE  14  -2.469  -1.284   3.962
   85    HA   PHE  14           HA       PHE  14   0.027  -0.624   5.388
   86    HB2  PHE  14           2HB      PHE  14  -2.162  -1.933   6.120
   87    HB3  PHE  14           1HB      PHE  14  -1.311  -3.310   5.423
   88    HD1  PHE  14           1HD      PHE  14   0.877  -4.037   6.350
   89    HD2  PHE  14           2HD      PHE  14  -1.408  -0.882   8.161
   90    HE1  PHE  14           1HE      PHE  14   2.246  -4.226   8.406
   91    HE2  PHE  14           2HE      PHE  14  -0.037  -1.073  10.218
   92    HZ   PHE  14           HZ       PHE  14   1.790  -2.744  10.340
   93    H    VAL  15           H        VAL  15  -1.051  -2.789   2.777
   94    HA   VAL  15           HA       VAL  15   1.239  -4.451   2.516
   95    HB   VAL  15           HB       VAL  15  -0.728  -3.359   0.471
   96   HG11  VAL  15          1HG1      VAL  15   1.031  -4.190  -0.859
   97   HG12  VAL  15          2HG1      VAL  15  -0.061  -5.567  -0.723
   98   HG13  VAL  15          3HG1      VAL  15   1.394  -5.495   0.271
   99   HG21  VAL  15          3HG2      VAL  15  -1.736  -5.656   0.776
  100   HG22  VAL  15          1HG2      VAL  15  -1.838  -4.633   2.210
  101   HG23  VAL  15          2HG2      VAL  15  -0.621  -5.904   2.119
  102    H    GLY  16           H        GLY  16   0.574  -1.231   1.090
  103    HA2  GLY  16           2HA      GLY  16   2.963  -1.054  -0.482
  104    HA3  GLY  16           1HA      GLY  16   2.000   0.320   0.059
  105    H    LEU  17           H        LEU  17   2.226   0.022   2.847
  106    HA   LEU  17           HA       LEU  17   4.768   1.256   3.392
  107    HB2  LEU  17           2HB      LEU  17   2.322   0.971   4.649
  108    HB3  LEU  17           1HB      LEU  17   3.378  -0.016   5.658
  109    HG   LEU  17           HG       LEU  17   4.198   2.761   4.808
  110   HD11  LEU  17          1HD1      LEU  17   3.243   3.647   6.860
  111   HD12  LEU  17          2HD1      LEU  17   2.669   2.046   7.327
  112   HD13  LEU  17          3HD1      LEU  17   1.963   2.865   5.932
  113   HD21  LEU  17          3HD2      LEU  17   5.429   2.544   7.041
  114   HD22  LEU  17          1HD2      LEU  17   5.984   1.468   5.758
  115   HD23  LEU  17          2HD2      LEU  17   4.943   0.849   7.041
  116    H    VAL  18           H        VAL  18   3.604  -2.107   3.901
  117    HA   VAL  18           HA       VAL  18   5.880  -3.102   5.317
  118    HB   VAL  18           HB       VAL  18   3.877  -4.363   3.413
  119   HG11  VAL  18          1HG1      VAL  18   6.110  -5.635   5.002
  120   HG12  VAL  18          2HG1      VAL  18   5.684  -5.891   3.309
  121   HG13  VAL  18          3HG1      VAL  18   4.651  -6.534   4.584
  122   HG21  VAL  18          3HG2      VAL  18   4.150  -4.702   6.407
  123   HG22  VAL  18          1HG2      VAL  18   2.755  -5.071   5.393
  124   HG23  VAL  18          2HG2      VAL  18   3.203  -3.393   5.701
  125    H    LEU  19           H        LEU  19   5.221  -2.918   1.807
  126    HA   LEU  19           HA       LEU  19   7.685  -4.118   0.914
  127    HB2  LEU  19           2HB      LEU  19   5.318  -3.344  -0.203
  128    HB3  LEU  19           1HB      LEU  19   6.360  -2.028  -0.736
  129    HG   LEU  19           HG       LEU  19   7.987  -3.758  -1.584
  130   HD11  LEU  19          1HD1      LEU  19   7.012  -6.054  -1.944
  131   HD12  LEU  19          2HD1      LEU  19   5.678  -5.599  -0.884
  132   HD13  LEU  19          3HD1      LEU  19   7.323  -5.671  -0.251
  133   HD21  LEU  19          3HD2      LEU  19   5.157  -3.732  -2.680
  134   HD22  LEU  19          1HD2      LEU  19   6.541  -4.392  -3.551
  135   HD23  LEU  19          2HD2      LEU  19   6.488  -2.675  -3.152
  136    H    LEU  20           H        LEU  20   6.705  -0.784   1.626
  137    HA   LEU  20           HA       LEU  20   8.986   0.638   0.681
  138    HB2  LEU  20           2HB      LEU  20   6.593   1.066   2.215
  139    HB3  LEU  20           1HB      LEU  20   7.930   1.835   3.061
  140    HG   LEU  20           HG       LEU  20   8.575   2.826   0.767
  141   HD11  LEU  20          1HD1      LEU  20   5.666   2.340   0.133
  142   HD12  LEU  20          2HD1      LEU  20   6.909   1.203  -0.387
  143   HD13  LEU  20          3HD1      LEU  20   6.953   2.874  -0.947
  144   HD21  LEU  20          3HD2      LEU  20   6.061   3.594   2.272
  145   HD22  LEU  20          1HD2      LEU  20   6.760   4.603   1.005
  146   HD23  LEU  20          2HD2      LEU  20   7.681   4.260   2.469
  147    H    THR  21           H        THR  21   8.331  -0.905   3.838
  148    HA   THR  21           HA       THR  21  10.839  -0.087   5.072
  149    HB   THR  21           HB       THR  21   8.914  -2.331   5.780
  150    HG1  THR  21           1HG      THR  21   7.604  -0.797   6.310
  151   HG21  THR  21          3HG2      THR  21  11.161  -2.286   6.944
  152   HG22  THR  21          1HG2      THR  21   9.771  -2.125   8.016
  153   HG23  THR  21          2HG2      THR  21  10.719  -0.703   7.583
  154    H    LEU  22           H        LEU  22   9.756  -2.901   3.209
  155    HA   LEU  22           HA       LEU  22  11.872  -4.725   3.791
  156    HB2  LEU  22           2HB      LEU  22   9.685  -5.179   2.655
  157    HB3  LEU  22           1HB      LEU  22  10.301  -4.357   1.223
  158    HG   LEU  22           HG       LEU  22  12.108  -6.438   2.278
  159   HD11  LEU  22          1HD1      LEU  22  10.810  -8.334   1.635
  160   HD12  LEU  22          2HD1      LEU  22   9.550  -7.322   0.928
  161   HD13  LEU  22          3HD1      LEU  22   9.763  -7.369   2.678
  162   HD21  LEU  22          3HD2      LEU  22  12.506  -6.814  -0.015
  163   HD22  LEU  22          1HD2      LEU  22  12.133  -5.090   0.040
  164   HD23  LEU  22          2HD2      LEU  22  10.905  -6.242  -0.483
  165    H    SER  23           H        SER  23  11.668  -2.075   1.392
  166    HA   SER  23           HA       SER  23  14.576  -2.529   0.786
  167    HB2  SER  23           2HB      SER  23  13.930  -1.648  -1.514
  168    HB3  SER  23           1HB      SER  23  13.283  -3.227  -1.101
  169    HG   SER  23           HG       SER  23  11.312  -2.380  -0.967
  170    HA   PRO  24           HA       PRO  24  14.003   1.860   2.128
  171    HB2  PRO  24           2HB      PRO  24  15.410   1.770   4.467
  172    HB3  PRO  24           1HB      PRO  24  13.691   1.352   4.353
  173    HG2  PRO  24           2HG      PRO  24  15.987  -0.381   4.795
  174    HG3  PRO  24           1HG      PRO  24  14.270  -0.685   5.081
  175    HD2  PRO  24           2HD      PRO  24  15.900  -1.556   2.875
  176    HD3  PRO  24           1HD      PRO  24  14.202  -1.944   3.222
  177    H    HIS  25           H        HIS  25  15.810   1.102   0.126
  178    HA   HIS  25           HA       HIS  25  18.113   2.827   0.690
  179    HB2  HIS  25           2HB      HIS  25  18.484   0.423   1.655
  180    HB3  HIS  25           1HB      HIS  25  18.738  -0.032  -0.031
  181    HD1  HIS  25           1HD      HIS  25  20.743   1.147  -1.291
  182    HD2  HIS  25           2HD      HIS  25  20.587   1.890   2.810
  183    HE1  HIS  25           1HE      HIS  25  22.988   2.134  -0.654
  184    H    TYR  26           H        TYR  26  16.880   3.799  -1.169
  185    HA   TYR  26           HA       TYR  26  16.623   4.309  -3.446
  186    HB2  TYR  26           2HB      TYR  26  19.188   2.685  -3.573
  187    HB3  TYR  26           1HB      TYR  26  18.630   3.813  -4.804
  188    HD1  TYR  26           2HD      TYR  26  18.550   6.256  -4.336
  189    HD2  TYR  26           1HD      TYR  26  20.163   3.456  -1.504
  190    HE1  TYR  26           2HE      TYR  26  19.628   8.119  -3.105
  191    HE2  TYR  26           1HE      TYR  26  21.241   5.317  -0.274
  192    HH   TYR  26           HH       TYR  26  20.572   8.063  -0.148
  193    H    LYS  27           H        LYS  27  14.761   2.648  -3.125
  194    HA   LYS  27           HA       LYS  27  13.393   1.007  -4.069
  195    HB2  LYS  27           2HB      LYS  27  15.322   1.840  -6.131
  196    HB3  LYS  27           1HB      LYS  27  14.648   0.239  -6.417
  197    HG2  LYS  27           2HG      LYS  27  12.541   2.006  -5.563
  198    HG3  LYS  27           1HG      LYS  27  13.416   2.746  -6.903
  199    HD2  LYS  27           2HD      LYS  27  13.228   0.434  -8.049
  200    HD3  LYS  27           1HD      LYS  27  11.992   0.088  -6.838
  201    HE2  LYS  27           2HE      LYS  27  10.772   2.165  -7.553
  202    HE3  LYS  27           1HE      LYS  27  11.956   2.357  -8.861
  203    HZ1  LYS  27           3HZ      LYS  27  10.071   1.108  -9.668
  204    HZ2  LYS  27           1HZ      LYS  27  10.215  -0.012  -8.404
  205    HZ3  LYS  27           2HZ      LYS  27  11.428   0.086  -9.593
  Start of MODEL   38
    1    H1   MET   1           1HT      MET   1 -12.133 -15.574   4.621
    2    H2   MET   1           2HT      MET   1 -12.356 -13.947   5.047
    3    H3   MET   1           3HT      MET   1 -12.092 -15.113   6.253
    4    HA   MET   1           HA       MET   1 -10.121 -13.676   5.703
    5    HB2  MET   1           2HB      MET   1  -8.612 -15.670   5.767
    6    HB3  MET   1           1HB      MET   1  -9.939 -15.781   6.915
    7    HG2  MET   1           2HG      MET   1 -10.523 -16.949   4.261
    8    HG3  MET   1           1HG      MET   1  -9.239 -17.761   5.153
    9    HE1  MET   1           2HE      MET   1 -10.583 -20.029   5.439
   10    HE2  MET   1           3HE      MET   1 -11.650 -19.214   4.300
   11    HE3  MET   1           1HE      MET   1 -12.321 -20.031   5.722
   12    H    ASP   2           H        ASP   2 -10.908 -12.705   3.538
   13    HA   ASP   2           HA       ASP   2 -10.137 -14.076   1.074
   14    HB2  ASP   2           2HB      ASP   2 -11.486 -11.606   1.934
   15    HB3  ASP   2           1HB      ASP   2 -10.507 -11.400   0.480
   16    H    ARG   3           H        ARG   3  -8.194 -13.963   0.046
   17    HA   ARG   3           HA       ARG   3  -6.066 -12.180   1.181
   18    HB2  ARG   3           2HB      ARG   3  -6.067 -14.849  -0.232
   19    HB3  ARG   3           1HB      ARG   3  -4.590 -13.923   0.027
   20    HG2  ARG   3           2HG      ARG   3  -5.144 -13.865   2.486
   21    HG3  ARG   3           1HG      ARG   3  -6.473 -14.975   2.157
   22    HD2  ARG   3           2HD      ARG   3  -3.622 -15.606   1.338
   23    HD3  ARG   3           1HD      ARG   3  -4.285 -16.075   2.915
   24    HE   ARG   3           HE       ARG   3  -6.224 -17.013   1.261
   25   HH11  ARG   3          1HH1      ARG   3  -4.382 -17.016  -1.056
   26   HH12  ARG   3          2HH1      ARG   3  -3.652 -18.582  -0.969
   27   HH21  ARG   3          1HH2      ARG   3  -4.606 -19.112   2.344
   28   HH22  ARG   3          2HH2      ARG   3  -3.779 -19.784   0.979
   29    H    GLU   4           H        GLU   4  -8.058 -12.515  -1.596
   30    HA   GLU   4           HA       GLU   4  -6.088 -11.543  -3.550
   31    HB2  GLU   4           2HB      GLU   4  -9.105 -11.868  -3.717
   32    HB3  GLU   4           1HB      GLU   4  -7.996 -11.700  -5.078
   33    HG2  GLU   4           2HG      GLU   4  -6.843 -13.800  -4.328
   34    HG3  GLU   4           1HG      GLU   4  -8.089 -13.997  -3.099
   35    H    MET   5           H        MET   5  -9.063 -10.248  -2.010
   36    HA   MET   5           HA       MET   5  -8.708  -7.566  -3.097
   37    HB2  MET   5           2HB      MET   5 -10.447  -8.839  -0.974
   38    HB3  MET   5           1HB      MET   5 -10.514  -7.109  -1.305
   39    HG2  MET   5           2HG      MET   5 -12.059  -7.680  -2.870
   40    HG3  MET   5           1HG      MET   5 -10.665  -8.153  -3.838
   41    HE1  MET   5           3HE      MET   5 -13.899  -9.399  -2.013
   42    HE2  MET   5           1HE      MET   5 -12.622  -9.300  -0.787
   43    HE3  MET   5           2HE      MET   5 -13.302 -10.861  -1.231
   44    H    ALA   6           H        ALA   6  -8.049  -9.118   0.051
   45    HA   ALA   6           HA       ALA   6  -6.816  -8.437   1.921
   46    HB1  ALA   6           1HB      ALA   6  -5.315  -6.901  -0.216
   47    HB2  ALA   6           2HB      ALA   6  -5.134  -8.630   0.081
   48    HB3  ALA   6           3HB      ALA   6  -4.670  -7.468   1.324
   49    H    ALA   7           H        ALA   7  -9.168  -6.816   1.430
   50    HA   ALA   7           HA       ALA   7 -10.170  -4.796   2.058
   51    HB1  ALA   7           1HB      ALA   7  -9.242  -5.553   4.186
   52    HB2  ALA   7           2HB      ALA   7  -9.124  -3.797   4.075
   53    HB3  ALA   7           3HB      ALA   7  -7.696  -4.794   3.805
   54    H    SER   8           H        SER   8  -9.814  -3.846  -0.058
   55    HA   SER   8           HA       SER   8  -7.531  -2.374  -0.902
   56    HB2  SER   8           2HB      SER   8 -10.459  -1.858  -1.505
   57    HB3  SER   8           1HB      SER   8  -9.092  -1.338  -2.481
   58    HG   SER   8           HG       SER   8  -8.598  -3.540  -2.822
   59    H    ALA   9           H        ALA   9 -10.250  -1.372   1.172
   60    HA   ALA   9           HA       ALA   9  -9.222   1.416   1.280
   61    HB1  ALA   9           1HB      ALA   9 -11.673   0.035   2.424
   62    HB2  ALA   9           2HB      ALA   9 -11.618   1.029   0.968
   63    HB3  ALA   9           3HB      ALA   9 -11.350   1.765   2.549
   64    H    GLY  10           H        GLY  10  -7.270  -0.007   2.369
   65    HA2  GLY  10           2HA      GLY  10  -6.616   0.892   4.826
   66    HA3  GLY  10           1HA      GLY  10  -7.706  -0.422   5.262
   67    H    GLY  11           H        GLY  11  -7.169  -2.570   4.153
   68    HA2  GLY  11           2HA      GLY  11  -4.630  -3.513   4.910
   69    HA3  GLY  11           1HA      GLY  11  -5.684  -4.333   3.763
   70    H    ALA  12           H        ALA  12  -5.693  -2.381   1.684
   71    HA   ALA  12           HA       ALA  12  -3.350  -3.041   0.202
   72    HB1  ALA  12           1HB      ALA  12  -4.160  -1.246  -1.315
   73    HB2  ALA  12           2HB      ALA  12  -5.260  -0.695  -0.052
   74    HB3  ALA  12           3HB      ALA  12  -5.477  -2.288  -0.776
   75    H    VAL  13           H        VAL  13  -4.137  -0.074   2.047
   76    HA   VAL  13           HA       VAL  13  -1.748   1.396   1.469
   77    HB   VAL  13           HB       VAL  13  -3.627   1.401   3.862
   78   HG11  VAL  13          1HG1      VAL  13  -2.780   3.711   4.245
   79   HG12  VAL  13          2HG1      VAL  13  -1.570   3.457   2.987
   80   HG13  VAL  13          3HG1      VAL  13  -1.520   2.497   4.467
   81   HG21  VAL  13          3HG2      VAL  13  -4.769   1.924   1.771
   82   HG22  VAL  13          1HG2      VAL  13  -3.498   3.064   1.324
   83   HG23  VAL  13          2HG2      VAL  13  -4.561   3.415   2.687
   84    H    PHE  14           H        PHE  14  -2.536  -0.964   4.028
   85    HA   PHE  14           HA       PHE  14  -0.095  -0.746   5.533
   86    HB2  PHE  14           2HB      PHE  14  -2.045  -1.778   6.484
   87    HB3  PHE  14           1HB      PHE  14  -2.189  -2.902   5.138
   88    HD1  PHE  14           2HD      PHE  14   0.191  -1.910   7.867
   89    HD2  PHE  14           1HD      PHE  14  -1.274  -5.046   5.323
   90    HE1  PHE  14           2HE      PHE  14   1.598  -3.551   9.081
   91    HE2  PHE  14           1HE      PHE  14   0.132  -6.688   6.539
   92    HZ   PHE  14           HZ       PHE  14   1.568  -5.941   8.417
   93    H    VAL  15           H        VAL  15  -1.074  -2.884   2.831
   94    HA   VAL  15           HA       VAL  15   1.271  -4.505   2.684
   95    HB   VAL  15           HB       VAL  15  -0.698  -3.551   0.573
   96   HG11  VAL  15          1HG1      VAL  15   1.376  -4.369  -0.492
   97   HG12  VAL  15          2HG1      VAL  15   0.044  -5.495  -0.755
   98   HG13  VAL  15          3HG1      VAL  15   1.276  -5.856   0.454
   99   HG21  VAL  15          3HG2      VAL  15  -1.161  -5.140   2.756
  100   HG22  VAL  15          1HG2      VAL  15  -0.714  -6.346   1.548
  101   HG23  VAL  15          2HG2      VAL  15  -2.063  -5.251   1.246
  102    H    GLY  16           H        GLY  16   0.508  -1.363   1.145
  103    HA2  GLY  16           2HA      GLY  16   2.906  -1.128  -0.400
  104    HA3  GLY  16           1HA      GLY  16   1.883   0.221   0.095
  105    H    LEU  17           H        LEU  17   2.105  -0.143   2.926
  106    HA   LEU  17           HA       LEU  17   4.521   1.302   3.511
  107    HB2  LEU  17           2HB      LEU  17   2.308   1.264   4.762
  108    HB3  LEU  17           1HB      LEU  17   2.779  -0.310   5.401
  109    HG   LEU  17           HG       LEU  17   4.915   1.655   5.706
  110   HD11  LEU  17          1HD1      LEU  17   3.839   3.067   7.367
  111   HD12  LEU  17          2HD1      LEU  17   2.320   2.191   7.183
  112   HD13  LEU  17          3HD1      LEU  17   2.933   3.182   5.859
  113   HD21  LEU  17          3HD2      LEU  17   3.319   0.133   7.790
  114   HD22  LEU  17          1HD2      LEU  17   4.964   0.751   7.944
  115   HD23  LEU  17          2HD2      LEU  17   4.626  -0.592   6.852
  116    H    VAL  18           H        VAL  18   3.614  -2.131   4.007
  117    HA   VAL  18           HA       VAL  18   6.026  -3.000   5.285
  118    HB   VAL  18           HB       VAL  18   3.987  -4.405   3.520
  119   HG11  VAL  18          1HG1      VAL  18   5.846  -5.868   3.473
  120   HG12  VAL  18          2HG1      VAL  18   4.872  -6.468   4.816
  121   HG13  VAL  18          3HG1      VAL  18   6.301  -5.485   5.134
  122   HG21  VAL  18          3HG2      VAL  18   2.697  -4.167   5.358
  123   HG22  VAL  18          1HG2      VAL  18   4.040  -3.490   6.280
  124   HG23  VAL  18          2HG2      VAL  18   3.813  -5.238   6.205
  125    H    LEU  19           H        LEU  19   5.128  -2.742   1.837
  126    HA   LEU  19           HA       LEU  19   7.502  -3.957   0.751
  127    HB2  LEU  19           2HB      LEU  19   5.422  -3.575  -0.519
  128    HB3  LEU  19           1HB      LEU  19   5.624  -1.833  -0.348
  129    HG   LEU  19           HG       LEU  19   7.865  -2.095  -1.532
  130   HD11  LEU  19          1HD1      LEU  19   8.256  -4.455  -1.264
  131   HD12  LEU  19          2HD1      LEU  19   7.993  -4.169  -2.985
  132   HD13  LEU  19          3HD1      LEU  19   6.703  -4.854  -1.997
  133   HD21  LEU  19          3HD2      LEU  19   6.856  -2.032  -3.712
  134   HD22  LEU  19          1HD2      LEU  19   5.685  -1.330  -2.596
  135   HD23  LEU  19          2HD2      LEU  19   5.477  -2.986  -3.168
  136    H    LEU  20           H        LEU  20   6.692  -0.621   1.724
  137    HA   LEU  20           HA       LEU  20   9.087   0.646   0.744
  138    HB2  LEU  20           2HB      LEU  20   6.739   1.508   1.668
  139    HB3  LEU  20           1HB      LEU  20   7.630   1.593   3.187
  140    HG   LEU  20           HG       LEU  20   9.439   2.767   1.562
  141   HD11  LEU  20          1HD1      LEU  20   6.766   3.000   0.234
  142   HD12  LEU  20          2HD1      LEU  20   8.372   2.900  -0.486
  143   HD13  LEU  20          3HD1      LEU  20   7.820   4.414   0.230
  144   HD21  LEU  20          3HD2      LEU  20   7.120   3.834   3.145
  145   HD22  LEU  20          1HD2      LEU  20   8.108   4.967   2.223
  146   HD23  LEU  20          2HD2      LEU  20   8.848   3.964   3.471
  147    H    THR  21           H        THR  21   8.378  -1.215   3.664
  148    HA   THR  21           HA       THR  21  10.583  -0.330   5.288
  149    HB   THR  21           HB       THR  21   9.211  -3.035   5.300
  150    HG1  THR  21           1HG      THR  21   8.300  -0.498   6.087
  151   HG21  THR  21          3HG2      THR  21   9.586  -2.706   7.802
  152   HG22  THR  21          1HG2      THR  21  10.668  -1.384   7.361
  153   HG23  THR  21          2HG2      THR  21  11.020  -3.028   6.827
  154    H    LEU  22           H        LEU  22  10.256  -3.057   2.972
  155    HA   LEU  22           HA       LEU  22  13.161  -3.670   3.336
  156    HB2  LEU  22           2HB      LEU  22  11.351  -5.412   3.631
  157    HB3  LEU  22           1HB      LEU  22  11.025  -5.266   1.905
  158    HG   LEU  22           HG       LEU  22  13.563  -5.714   1.593
  159   HD11  LEU  22          1HD1      LEU  22  13.122  -6.640   4.446
  160   HD12  LEU  22          2HD1      LEU  22  14.300  -5.456   3.879
  161   HD13  LEU  22          3HD1      LEU  22  14.483  -7.157   3.450
  162   HD21  LEU  22          3HD2      LEU  22  13.181  -8.157   1.682
  163   HD22  LEU  22          1HD2      LEU  22  11.787  -7.324   0.992
  164   HD23  LEU  22          2HD2      LEU  22  11.737  -7.896   2.660
  165    H    SER  23           H        SER  23  10.783  -2.814   0.793
  166    HA   SER  23           HA       SER  23  13.012  -2.696  -1.202
  167    HB2  SER  23           2HB      SER  23  10.058  -3.149  -1.280
  168    HB3  SER  23           1HB      SER  23  10.820  -2.425  -2.689
  169    HG   SER  23           HG       SER  23  11.284  -4.444  -3.129
  170    HA   PRO  24           HA       PRO  24  12.355   1.756  -0.323
  171    HB2  PRO  24           2HB      PRO  24  14.874   2.535  -1.037
  172    HB3  PRO  24           1HB      PRO  24  14.475   1.899   0.571
  173    HG2  PRO  24           2HG      PRO  24  15.757   0.531  -1.733
  174    HG3  PRO  24           1HG      PRO  24  16.097   0.391   0.000
  175    HD2  PRO  24           2HD      PRO  24  14.664  -1.452  -1.397
  176    HD3  PRO  24           1HD      PRO  24  14.451  -1.147   0.340
  177    H    HIS  25           H        HIS  25  12.957   3.706  -1.882
  178    HA   HIS  25           HA       HIS  25  13.013   2.975  -4.755
  179    HB2  HIS  25           2HB      HIS  25  10.852   4.136  -5.147
  180    HB3  HIS  25           1HB      HIS  25  10.664   2.745  -4.088
  181    HD1  HIS  25           1HD      HIS  25   9.998   6.329  -4.283
  182    HD2  HIS  25           2HD      HIS  25  10.524   3.564  -1.210
  183    HE1  HIS  25           1HE      HIS  25   9.090   7.411  -2.183
  184    H    TYR  26           H        TYR  26  14.924   4.449  -3.198
  185    HA   TYR  26           HA       TYR  26  14.502   7.281  -4.092
  186    HB2  TYR  26           2HB      TYR  26  16.347   6.094  -1.999
  187    HB3  TYR  26           1HB      TYR  26  16.143   7.812  -2.331
  188    HD1  TYR  26           1HD      TYR  26  13.624   8.674  -2.258
  189    HD2  TYR  26           2HD      TYR  26  15.061   5.122  -0.315
  190    HE1  TYR  26           1HE      TYR  26  11.689   8.736  -0.709
  191    HE2  TYR  26           2HE      TYR  26  13.127   5.185   1.232
  192    HH   TYR  26           HH       TYR  26  10.410   6.823   0.718
  193    H    LYS  27           H        LYS  27  15.989   8.210  -5.492
  194    HA   LYS  27           HA       LYS  27  18.361   6.567  -6.317
  195    HB2  LYS  27           2HB      LYS  27  16.164   6.824  -7.804
  196    HB3  LYS  27           1HB      LYS  27  16.906   8.364  -8.228
  197    HG2  LYS  27           2HG      LYS  27  18.410   5.744  -8.386
  198    HG3  LYS  27           1HG      LYS  27  17.475   6.374  -9.739
  199    HD2  LYS  27           2HD      LYS  27  19.698   7.905  -8.356
  200    HD3  LYS  27           1HD      LYS  27  19.915   6.966  -9.829
  201    HE2  LYS  27           2HE      LYS  27  19.300   8.806 -10.998
  202    HE3  LYS  27           1HE      LYS  27  17.671   8.621 -10.323
  203    HZ1  LYS  27           3HZ      LYS  27  18.242   9.942  -8.451
  204    HZ2  LYS  27           1HZ      LYS  27  18.768  10.797  -9.814
  205    HZ3  LYS  27           2HZ      LYS  27  19.891   9.954  -8.862
  Start of MODEL   39
    1    H1   MET   1           1HT      MET   1  -4.791  -5.977 -10.548
    2    H2   MET   1           2HT      MET   1  -5.620  -6.061 -12.026
    3    H3   MET   1           3HT      MET   1  -3.925  -5.952 -12.005
    4    HA   MET   1           HA       MET   1  -5.594  -8.260 -11.128
    5    HB2  MET   1           2HB      MET   1  -3.928  -7.490 -13.479
    6    HB3  MET   1           1HB      MET   1  -3.793  -9.162 -12.939
    7    HG2  MET   1           2HG      MET   1  -6.487  -7.866 -13.354
    8    HG3  MET   1           1HG      MET   1  -5.618  -8.629 -14.686
    9    HE1  MET   1           2HE      MET   1  -7.806 -11.601 -14.367
   10    HE2  MET   1           3HE      MET   1  -6.804 -10.570 -15.383
   11    HE3  MET   1           1HE      MET   1  -8.194  -9.890 -14.519
   12    H    ASP   2           H        ASP   2  -4.757  -8.870  -9.148
   13    HA   ASP   2           HA       ASP   2  -1.777  -9.161  -8.926
   14    HB2  ASP   2           2HB      ASP   2  -3.804  -8.124  -6.921
   15    HB3  ASP   2           1HB      ASP   2  -2.123  -8.474  -6.526
   16    H    ARG   3           H        ARG   3  -1.600 -11.395  -9.078
   17    HA   ARG   3           HA       ARG   3  -3.339 -13.059  -7.282
   18    HB2  ARG   3           2HB      ARG   3  -2.107 -13.561 -10.006
   19    HB3  ARG   3           1HB      ARG   3  -2.854 -14.832  -9.043
   20    HG2  ARG   3           2HG      ARG   3  -4.957 -13.444  -8.968
   21    HG3  ARG   3           1HG      ARG   3  -4.197 -12.334 -10.108
   22    HD2  ARG   3           2HD      ARG   3  -5.116 -13.676 -11.710
   23    HD3  ARG   3           1HD      ARG   3  -3.776 -14.775 -11.334
   24    HE   ARG   3           HE       ARG   3  -6.558 -15.184 -10.570
   25   HH11  ARG   3          1HH1      ARG   3  -4.470 -17.330 -11.128
   26   HH12  ARG   3          2HH1      ARG   3  -4.253 -18.015  -9.554
   27   HH21  ARG   3          1HH2      ARG   3  -5.777 -15.345  -7.905
   28   HH22  ARG   3          2HH2      ARG   3  -4.998 -16.877  -7.710
   29    H    GLU   4           H        GLU   4  -1.934 -15.409  -7.334
   30    HA   GLU   4           HA       GLU   4  -0.179 -16.539  -6.265
   31    HB2  GLU   4           2HB      GLU   4   1.186 -14.348  -7.833
   32    HB3  GLU   4           1HB      GLU   4   2.099 -15.578  -6.965
   33    HG2  GLU   4           2HG      GLU   4   1.923 -16.636  -9.008
   34    HG3  GLU   4           1HG      GLU   4   0.430 -17.211  -8.269
   35    H    MET   5           H        MET   5  -1.526 -14.814  -4.542
   36    HA   MET   5           HA       MET   5  -1.372 -13.711  -2.479
   37    HB2  MET   5           2HB      MET   5   1.157 -15.332  -2.684
   38    HB3  MET   5           1HB      MET   5   0.800 -14.392  -1.240
   39    HG2  MET   5           2HG      MET   5  -0.294 -16.279  -0.577
   40    HG3  MET   5           1HG      MET   5  -1.585 -15.662  -1.605
   41    HE1  MET   5           3HE      MET   5   1.092 -18.295  -0.979
   42    HE2  MET   5           1HE      MET   5   1.929 -17.276  -2.163
   43    HE3  MET   5           2HE      MET   5   1.491 -18.931  -2.572
   44    H    ALA   6           H        ALA   6  -1.263 -11.666  -3.795
   45    HA   ALA   6           HA       ALA   6   1.398 -10.340  -3.892
   46    HB1  ALA   6           1HB      ALA   6   0.009 -10.233  -5.867
   47    HB2  ALA   6           2HB      ALA   6   0.051  -8.620  -5.155
   48    HB3  ALA   6           3HB      ALA   6  -1.365  -9.647  -4.928
   49    H    ALA   7           H        ALA   7   0.291 -10.817  -1.254
   50    HA   ALA   7           HA       ALA   7  -0.111  -9.749   0.780
   51    HB1  ALA   7           1HB      ALA   7   1.045  -7.645   1.029
   52    HB2  ALA   7           2HB      ALA   7   0.993  -7.359  -0.710
   53    HB3  ALA   7           3HB      ALA   7   1.986  -8.665  -0.060
   54    H    SER   8           H        SER   8  -2.366  -9.760   0.921
   55    HA   SER   8           HA       SER   8  -3.740  -7.211   0.133
   56    HB2  SER   8           2HB      SER   8  -4.094  -9.760  -0.958
   57    HB3  SER   8           1HB      SER   8  -5.441  -9.581   0.160
   58    HG   SER   8           HG       SER   8  -6.057  -7.741  -0.910
   59    H    ALA   9           H        ALA   9  -2.592  -8.228   2.790
   60    HA   ALA   9           HA       ALA   9  -5.128  -8.310   4.390
   61    HB1  ALA   9           1HB      ALA   9  -2.323  -9.200   5.116
   62    HB2  ALA   9           2HB      ALA   9  -3.568 -10.265   4.463
   63    HB3  ALA   9           3HB      ALA   9  -3.797  -9.503   6.037
   64    H    GLY  10           H        GLY  10  -3.173  -5.947   3.378
   65    HA2  GLY  10           2HA      GLY  10  -2.776  -4.686   6.058
   66    HA3  GLY  10           1HA      GLY  10  -1.922  -4.221   4.588
   67    H    GLY  11           H        GLY  11  -5.416  -4.815   4.740
   68    HA2  GLY  11           2HA      GLY  11  -7.208  -3.404   4.242
   69    HA3  GLY  11           1HA      GLY  11  -6.329  -2.189   5.165
   70    H    ALA  12           H        ALA  12  -5.027  -3.628   2.201
   71    HA   ALA  12           HA       ALA  12  -4.357  -2.645   0.179
   72    HB1  ALA  12           1HB      ALA  12  -6.139  -1.363  -0.909
   73    HB2  ALA  12           2HB      ALA  12  -6.924  -1.091   0.646
   74    HB3  ALA  12           3HB      ALA  12  -6.841  -2.719  -0.027
   75    H    VAL  13           H        VAL  13  -3.486  -1.388   2.728
   76    HA   VAL  13           HA       VAL  13  -2.565   1.241   1.661
   77    HB   VAL  13           HB       VAL  13  -3.967   0.667   4.301
   78   HG11  VAL  13          1HG1      VAL  13  -2.188   2.091   4.947
   79   HG12  VAL  13          2HG1      VAL  13  -3.535   3.194   4.664
   80   HG13  VAL  13          3HG1      VAL  13  -2.268   3.017   3.449
   81   HG21  VAL  13          3HG2      VAL  13  -5.518   1.164   2.513
   82   HG22  VAL  13          1HG2      VAL  13  -4.541   2.529   1.973
   83   HG23  VAL  13          2HG2      VAL  13  -5.392   2.608   3.516
   84    H    PHE  14           H        PHE  14  -2.448  -0.855   4.558
   85    HA   PHE  14           HA       PHE  14   0.247  -0.326   5.331
   86    HB2  PHE  14           2HB      PHE  14  -1.734  -1.435   6.567
   87    HB3  PHE  14           1HB      PHE  14  -1.258  -2.916   5.742
   88    HD1  PHE  14           1HD      PHE  14   0.097  -0.183   7.914
   89    HD2  PHE  14           2HD      PHE  14   0.490  -4.253   6.593
   90    HE1  PHE  14           1HE      PHE  14   1.874  -0.560   9.599
   91    HE2  PHE  14           2HE      PHE  14   2.267  -4.627   8.277
   92    HZ   PHE  14           HZ       PHE  14   2.960  -2.781   9.782
   93    H    VAL  15           H        VAL  15  -1.091  -2.543   2.914
   94    HA   VAL  15           HA       VAL  15   1.031  -4.376   2.562
   95    HB   VAL  15           HB       VAL  15  -1.028  -3.120   0.715
   96   HG11  VAL  15          1HG1      VAL  15   0.725  -3.739  -0.807
   97   HG12  VAL  15          2HG1      VAL  15  -0.448  -5.055  -0.846
   98   HG13  VAL  15          3HG1      VAL  15   1.048  -5.234   0.071
   99   HG21  VAL  15          3HG2      VAL  15  -1.663  -4.718   2.577
  100   HG22  VAL  15          1HG2      VAL  15  -0.725  -5.957   1.744
  101   HG23  VAL  15          2HG2      VAL  15  -2.136  -5.241   0.962
  102    H    GLY  16           H        GLY  16   0.579  -1.173   0.989
  103    HA2  GLY  16           2HA      GLY  16   3.035  -1.200  -0.489
  104    HA3  GLY  16           1HA      GLY  16   2.106   0.245  -0.081
  105    H    LEU  17           H        LEU  17   2.196  -0.018   2.769
  106    HA   LEU  17           HA       LEU  17   4.655   1.284   3.418
  107    HB2  LEU  17           2HB      LEU  17   2.475   1.395   4.658
  108    HB3  LEU  17           1HB      LEU  17   2.760  -0.248   5.231
  109    HG   LEU  17           HG       LEU  17   5.105   1.379   5.710
  110   HD11  LEU  17          1HD1      LEU  17   3.540   3.269   5.775
  111   HD12  LEU  17          2HD1      LEU  17   4.109   2.895   7.401
  112   HD13  LEU  17          3HD1      LEU  17   2.499   2.388   6.893
  113   HD21  LEU  17          3HD2      LEU  17   4.319  -0.783   6.823
  114   HD22  LEU  17          1HD2      LEU  17   3.158   0.205   7.711
  115   HD23  LEU  17          2HD2      LEU  17   4.888   0.476   7.919
  116    H    VAL  18           H        VAL  18   3.643  -2.135   3.794
  117    HA   VAL  18           HA       VAL  18   5.975  -3.087   5.167
  118    HB   VAL  18           HB       VAL  18   3.978  -4.397   3.286
  119   HG11  VAL  18          1HG1      VAL  18   6.190  -5.608   4.958
  120   HG12  VAL  18          2HG1      VAL  18   5.866  -5.854   3.242
  121   HG13  VAL  18          3HG1      VAL  18   4.780  -6.536   4.451
  122   HG21  VAL  18          3HG2      VAL  18   2.839  -5.079   5.257
  123   HG22  VAL  18          1HG2      VAL  18   3.276  -3.399   5.564
  124   HG23  VAL  18          2HG2      VAL  18   4.220  -4.700   6.285
  125    H    LEU  19           H        LEU  19   5.204  -2.841   1.684
  126    HA   LEU  19           HA       LEU  19   7.611  -4.034   0.671
  127    HB2  LEU  19           2HB      LEU  19   5.232  -3.027  -0.332
  128    HB3  LEU  19           1HB      LEU  19   6.412  -1.860  -0.919
  129    HG   LEU  19           HG       LEU  19   6.061  -3.704  -2.529
  130   HD11  LEU  19          1HD1      LEU  19   8.316  -2.540  -2.201
  131   HD12  LEU  19          2HD1      LEU  19   8.355  -4.104  -3.014
  132   HD13  LEU  19          3HD1      LEU  19   8.815  -3.981  -1.316
  133   HD21  LEU  19          3HD2      LEU  19   7.417  -5.565  -0.582
  134   HD22  LEU  19          1HD2      LEU  19   6.475  -5.961  -2.020
  135   HD23  LEU  19          2HD2      LEU  19   5.663  -5.382  -0.566
  136    H    LEU  20           H        LEU  20   6.864  -0.777   1.813
  137    HA   LEU  20           HA       LEU  20   9.234   0.531   0.759
  138    HB2  LEU  20           2HB      LEU  20   6.864   1.370   1.661
  139    HB3  LEU  20           1HB      LEU  20   7.732   1.459   3.188
  140    HG   LEU  20           HG       LEU  20   7.761   3.610   1.961
  141   HD11  LEU  20          1HD1      LEU  20   9.926   4.116   2.547
  142   HD12  LEU  20          2HD1      LEU  20  10.586   2.661   1.801
  143   HD13  LEU  20          3HD1      LEU  20   9.768   2.559   3.360
  144   HD21  LEU  20          3HD2      LEU  20   8.747   3.866  -0.167
  145   HD22  LEU  20          1HD2      LEU  20   7.825   2.372  -0.323
  146   HD23  LEU  20          2HD2      LEU  20   9.569   2.308  -0.075
  147    H    THR  21           H        THR  21   8.308  -0.757   3.980
  148    HA   THR  21           HA       THR  21  10.815  -0.154   5.280
  149    HB   THR  21           HB       THR  21   8.700  -2.252   5.885
  150    HG1  THR  21           1HG      THR  21   8.967   0.418   6.829
  151   HG21  THR  21          3HG2      THR  21  10.509  -2.785   7.275
  152   HG22  THR  21          1HG2      THR  21   9.550  -1.704   8.284
  153   HG23  THR  21          2HG2      THR  21  10.988  -1.099   7.463
  154    H    LEU  22           H        LEU  22   9.590  -3.005   3.522
  155    HA   LEU  22           HA       LEU  22  12.241  -4.350   3.868
  156    HB2  LEU  22           2HB      LEU  22   9.405  -5.176   3.629
  157    HB3  LEU  22           1HB      LEU  22  10.545  -6.183   2.738
  158    HG   LEU  22           HG       LEU  22  11.375  -5.457   5.490
  159   HD11  LEU  22          1HD1      LEU  22   9.938  -7.290   6.444
  160   HD12  LEU  22          2HD1      LEU  22   9.039  -7.304   4.926
  161   HD13  LEU  22          3HD1      LEU  22   9.032  -5.861   5.941
  162   HD21  LEU  22          3HD2      LEU  22  12.575  -7.011   3.873
  163   HD22  LEU  22          1HD2      LEU  22  11.233  -8.137   4.078
  164   HD23  LEU  22          2HD2      LEU  22  12.241  -7.704   5.459
  165    H    SER  23           H        SER  23  12.254  -2.213   2.077
  166    HA   SER  23           HA       SER  23  11.838  -3.279  -0.658
  167    HB2  SER  23           2HB      SER  23  12.504  -0.926  -1.266
  168    HB3  SER  23           1HB      SER  23  11.122  -1.010  -0.188
  169    HG   SER  23           HG       SER  23  13.800  -0.282   0.344
  170    HA   PRO  24           HA       PRO  24  16.107  -4.535  -0.916
  171    HB2  PRO  24           2HB      PRO  24  16.331  -4.708  -3.637
  172    HB3  PRO  24           1HB      PRO  24  15.480  -5.922  -2.658
  173    HG2  PRO  24           2HG      PRO  24  14.364  -3.668  -4.250
  174    HG3  PRO  24           1HG      PRO  24  13.775  -5.332  -4.082
  175    HD2  PRO  24           2HD      PRO  24  12.665  -3.264  -2.751
  176    HD3  PRO  24           1HD      PRO  24  12.732  -4.911  -2.083
  177    H    HIS  25           H        HIS  25  17.928  -3.255  -0.819
  178    HA   HIS  25           HA       HIS  25  18.219  -0.935  -2.656
  179    HB2  HIS  25           2HB      HIS  25  17.041  -0.555  -0.276
  180    HB3  HIS  25           1HB      HIS  25  18.720  -0.464   0.253
  181    HD1  HIS  25           1HD      HIS  25  20.243   1.211  -1.414
  182    HD2  HIS  25           2HD      HIS  25  16.129   1.866  -1.219
  183    HE1  HIS  25           1HE      HIS  25  19.852   3.563  -2.257
  184    H    TYR  26           H        TYR  26  19.829  -2.755  -3.306
  185    HA   TYR  26           HA       TYR  26  22.104  -3.494  -1.773
  186    HB2  TYR  26           2HB      TYR  26  21.248  -3.458  -4.584
  187    HB3  TYR  26           1HB      TYR  26  22.993  -3.313  -4.396
  188    HD1  TYR  26           1HD      TYR  26  20.046  -5.443  -3.757
  189    HD2  TYR  26           2HD      TYR  26  24.318  -5.112  -3.430
  190    HE1  TYR  26           1HE      TYR  26  20.198  -7.870  -3.275
  191    HE2  TYR  26           2HE      TYR  26  24.468  -7.539  -2.948
  192    HH   TYR  26           HH       TYR  26  22.374  -9.329  -1.860
  193    H    LYS  27           H        LYS  27  21.550  -0.606  -3.789
  194    HA   LYS  27           HA       LYS  27  23.878   0.717  -2.473
  195    HB2  LYS  27           2HB      LYS  27  23.362   0.247  -5.408
  196    HB3  LYS  27           1HB      LYS  27  24.319   1.632  -4.882
  197    HG2  LYS  27           2HG      LYS  27  25.888   0.175  -3.725
  198    HG3  LYS  27           1HG      LYS  27  24.899  -1.238  -4.094
  199    HD2  LYS  27           2HD      LYS  27  25.266  -0.874  -6.507
  200    HD3  LYS  27           1HD      LYS  27  26.254   0.540  -6.143
  201    HE2  LYS  27           2HE      LYS  27  27.933  -1.055  -6.324
  202    HE3  LYS  27           1HE      LYS  27  27.555  -1.241  -4.602
  203    HZ1  LYS  27           3HZ      LYS  27  25.825  -2.902  -5.317
  204    HZ2  LYS  27           1HZ      LYS  27  27.431  -3.393  -5.535
  205    HZ3  LYS  27           2HZ      LYS  27  26.524  -2.862  -6.866
  Start of MODEL   40
    1    H1   MET   1           1HT      MET   1 -10.162 -16.223   8.536
    2    H2   MET   1           2HT      MET   1 -10.125 -17.212   9.915
    3    H3   MET   1           3HT      MET   1 -10.714 -15.619  10.020
    4    HA   MET   1           HA       MET   1 -11.990 -17.736   8.352
    5    HB2  MET   1           2HB      MET   1 -11.808 -18.040  10.943
    6    HB3  MET   1           1HB      MET   1 -12.971 -16.715  11.018
    7    HG2  MET   1           2HG      MET   1 -14.592 -17.957   9.753
    8    HG3  MET   1           1HG      MET   1 -13.414 -19.209   9.356
    9    HE1  MET   1           2HE      MET   1 -11.986 -20.363  11.810
   10    HE2  MET   1           3HE      MET   1 -12.879 -21.039  10.451
   11    HE3  MET   1           1HE      MET   1 -13.248 -21.554  12.106
   12    H    ASP   2           H        ASP   2 -13.333 -16.743   6.907
   13    HA   ASP   2           HA       ASP   2 -14.675 -15.137   5.856
   14    HB2  ASP   2           2HB      ASP   2 -15.653 -15.687   8.320
   15    HB3  ASP   2           1HB      ASP   2 -15.404 -13.952   8.490
   16    H    ARG   3           H        ARG   3 -15.110 -12.403   7.328
   17    HA   ARG   3           HA       ARG   3 -12.882 -11.030   6.038
   18    HB2  ARG   3           2HB      ARG   3 -15.457 -10.454   6.468
   19    HB3  ARG   3           1HB      ARG   3 -14.800  -9.694   7.916
   20    HG2  ARG   3           2HG      ARG   3 -13.048  -8.833   5.969
   21    HG3  ARG   3           1HG      ARG   3 -14.580  -8.870   5.097
   22    HD2  ARG   3           2HD      ARG   3 -14.944  -7.717   7.747
   23    HD3  ARG   3           1HD      ARG   3 -13.713  -6.830   6.826
   24    HE   ARG   3           HE       ARG   3 -16.451  -7.410   5.751
   25   HH11  ARG   3          1HH2      ARG   3 -14.239  -6.547   3.850
   26   HH12  ARG   3          2HH2      ARG   3 -14.509  -4.840   3.756
   27   HH21  ARG   3          1HH1      ARG   3 -16.542  -4.747   6.582
   28   HH22  ARG   3          2HH1      ARG   3 -15.823  -3.813   5.315
   29    H    GLU   4           H        GLU   4 -13.048  -9.011   8.478
   30    HA   GLU   4           HA       GLU   4 -11.785  -8.487  10.357
   31    HB2  GLU   4           2HB      GLU   4 -11.587 -11.481  10.757
   32    HB3  GLU   4           1HB      GLU   4 -11.464 -10.229  11.985
   33    HG2  GLU   4           2HG      GLU   4 -13.929 -11.069  10.440
   34    HG3  GLU   4           1HG      GLU   4 -13.666 -11.145  12.179
   35    H    MET   5           H        MET   5 -10.442  -9.649   7.648
   36    HA   MET   5           HA       MET   5  -7.677  -9.299   8.677
   37    HB2  MET   5           2HB      MET   5  -8.677 -11.776   8.472
   38    HB3  MET   5           1HB      MET   5  -8.172 -11.560   6.796
   39    HG2  MET   5           2HG      MET   5  -5.902 -10.929   7.576
   40    HG3  MET   5           1HG      MET   5  -6.411 -11.212   9.241
   41    HE1  MET   5           3HE      MET   5  -3.902 -13.954   7.990
   42    HE2  MET   5           1HE      MET   5  -4.386 -13.358   9.588
   43    HE3  MET   5           2HE      MET   5  -4.052 -12.224   8.282
   44    H    ALA   6           H        ALA   6  -9.797  -8.025   6.640
   45    HA   ALA   6           HA       ALA   6  -7.821  -7.678   4.406
   46    HB1  ALA   6           1HB      ALA   6  -9.756  -9.142   3.852
   47    HB2  ALA   6           2HB      ALA   6  -9.746  -7.662   2.893
   48    HB3  ALA   6           3HB      ALA   6 -10.849  -7.819   4.260
   49    H    ALA   7           H        ALA   7  -8.501  -6.005   6.910
   50    HA   ALA   7           HA       ALA   7  -9.275  -3.469   5.499
   51    HB1  ALA   7           1HB      ALA   7 -10.856  -4.553   7.205
   52    HB2  ALA   7           2HB      ALA   7 -10.442  -2.861   7.486
   53    HB3  ALA   7           3HB      ALA   7  -9.652  -4.131   8.424
   54    H    SER   8           H        SER   8  -6.543  -4.740   6.039
   55    HA   SER   8           HA       SER   8  -5.194  -3.269   8.116
   56    HB2  SER   8           2HB      SER   8  -4.624  -5.184   5.998
   57    HB3  SER   8           1HB      SER   8  -3.353  -3.981   6.113
   58    HG   SER   8           HG       SER   8  -2.774  -5.356   7.659
   59    H    ALA   9           H        ALA   9  -5.225  -1.057   8.063
   60    HA   ALA   9           HA       ALA   9  -5.091   1.160   7.284
   61    HB1  ALA   9           1HB      ALA   9  -3.013   1.537   6.028
   62    HB2  ALA   9           2HB      ALA   9  -2.946  -0.170   5.603
   63    HB3  ALA   9           3HB      ALA   9  -2.743   0.326   7.280
   64    H    GLY  10           H        GLY  10  -7.278   0.325   6.199
   65    HA2  GLY  10           2HA      GLY  10  -8.755   0.734   4.420
   66    HA3  GLY  10           1HA      GLY  10  -7.427   1.513   3.559
   67    H    GLY  11           H        GLY  11  -6.829  -1.698   4.714
   68    HA2  GLY  11           2HA      GLY  11  -6.384  -3.693   3.623
   69    HA3  GLY  11           1HA      GLY  11  -7.821  -3.344   2.662
   70    H    ALA  12           H        ALA  12  -4.792  -1.466   2.797
   71    HA   ALA  12           HA       ALA  12  -3.773  -2.465   0.251
   72    HB1  ALA  12           1HB      ALA  12  -5.444   0.043   0.398
   73    HB2  ALA  12           2HB      ALA  12  -5.544  -1.283  -0.760
   74    HB3  ALA  12           3HB      ALA  12  -4.204  -0.140  -0.844
   75    H    VAL  13           H        VAL  13  -3.857   0.684   2.018
   76    HA   VAL  13           HA       VAL  13  -1.175   1.451   1.527
   77    HB   VAL  13           HB       VAL  13  -3.015   2.002   3.879
   78   HG11  VAL  13          1HG1      VAL  13  -0.981   2.716   4.751
   79   HG12  VAL  13          2HG1      VAL  13  -1.481   4.162   3.875
   80   HG13  VAL  13          3HG1      VAL  13  -0.300   3.063   3.160
   81   HG21  VAL  13          3HG2      VAL  13  -4.044   2.863   1.938
   82   HG22  VAL  13          1HG2      VAL  13  -2.503   3.297   1.202
   83   HG23  VAL  13          2HG2      VAL  13  -3.135   4.244   2.549
   84    H    PHE  14           H        PHE  14  -2.431  -0.855   3.892
   85    HA   PHE  14           HA       PHE  14  -0.134  -1.009   5.616
   86    HB2  PHE  14           2HB      PHE  14  -2.544  -1.914   5.870
   87    HB3  PHE  14           1HB      PHE  14  -2.002  -3.279   4.900
   88    HD1  PHE  14           2HD      PHE  14  -1.631  -1.504   8.113
   89    HD2  PHE  14           1HD      PHE  14  -0.382  -4.883   5.772
   90    HE1  PHE  14           2HE      PHE  14  -0.631  -2.534  10.133
   91    HE2  PHE  14           1HE      PHE  14   0.618  -5.914   7.796
   92    HZ   PHE  14           HZ       PHE  14   0.494  -4.738   9.975
   93    H    VAL  15           H        VAL  15  -1.084  -2.849   2.694
   94    HA   VAL  15           HA       VAL  15   1.207  -4.598   2.635
   95    HB   VAL  15           HB       VAL  15  -0.830  -3.630   0.603
   96   HG11  VAL  15          1HG1      VAL  15   1.466  -5.567   0.224
   97   HG12  VAL  15          2HG1      VAL  15   1.047  -4.173  -0.772
   98   HG13  VAL  15          3HG1      VAL  15   0.021  -5.608  -0.787
   99   HG21  VAL  15          3HG2      VAL  15  -1.220  -5.302   2.634
  100   HG22  VAL  15          1HG2      VAL  15  -0.477  -6.460   1.529
  101   HG23  VAL  15          2HG2      VAL  15  -1.949  -5.612   1.059
  102    H    GLY  16           H        GLY  16   0.505  -1.468   1.020
  103    HA2  GLY  16           2HA      GLY  16   2.969  -1.260  -0.420
  104    HA3  GLY  16           1HA      GLY  16   1.935   0.100   0.019
  105    H    LEU  17           H        LEU  17   2.032  -0.241   2.860
  106    HA   LEU  17           HA       LEU  17   4.403   1.212   3.558
  107    HB2  LEU  17           2HB      LEU  17   2.161   1.139   4.732
  108    HB3  LEU  17           1HB      LEU  17   2.597  -0.456   5.339
  109    HG   LEU  17           HG       LEU  17   4.720   1.493   5.810
  110   HD11  LEU  17          1HD1      LEU  17   1.999   2.003   7.057
  111   HD12  LEU  17          2HD1      LEU  17   2.847   3.081   5.947
  112   HD13  LEU  17          3HD1      LEU  17   3.507   2.771   7.552
  113   HD21  LEU  17          3HD2      LEU  17   3.008  -0.208   7.654
  114   HD22  LEU  17          1HD2      LEU  17   4.528   0.573   8.090
  115   HD23  LEU  17          2HD2      LEU  17   4.514  -0.726   6.897
  116    H    VAL  18           H        VAL  18   3.531  -2.240   3.999
  117    HA   VAL  18           HA       VAL  18   5.906  -3.101   5.339
  118    HB   VAL  18           HB       VAL  18   3.890  -4.441   3.508
  119   HG11  VAL  18          1HG1      VAL  18   5.670  -5.935   3.247
  120   HG12  VAL  18          2HG1      VAL  18   4.869  -6.580   4.678
  121   HG13  VAL  18          3HG1      VAL  18   6.322  -5.597   4.850
  122   HG21  VAL  18          3HG2      VAL  18   2.944  -5.282   5.538
  123   HG22  VAL  18          1HG2      VAL  18   3.263  -3.572   5.829
  124   HG23  VAL  18          2HG2      VAL  18   4.353  -4.796   6.479
  125    H    LEU  19           H        LEU  19   5.121  -2.841   1.869
  126    HA   LEU  19           HA       LEU  19   7.568  -3.952   0.836
  127    HB2  LEU  19           2HB      LEU  19   5.164  -3.230  -0.174
  128    HB3  LEU  19           1HB      LEU  19   6.114  -1.830  -0.667
  129    HG   LEU  19           HG       LEU  19   7.282  -4.544  -1.138
  130   HD11  LEU  19          1HD1      LEU  19   6.054  -4.843  -3.196
  131   HD12  LEU  19          2HD1      LEU  19   5.226  -3.300  -2.984
  132   HD13  LEU  19          3HD1      LEU  19   4.880  -4.644  -1.894
  133   HD21  LEU  19          3HD2      LEU  19   8.115  -3.357  -3.175
  134   HD22  LEU  19          1HD2      LEU  19   8.582  -2.543  -1.683
  135   HD23  LEU  19          2HD2      LEU  19   7.252  -1.910  -2.652
  136    H    LEU  20           H        LEU  20   6.620  -0.633   1.747
  137    HA   LEU  20           HA       LEU  20   8.913   0.741   0.695
  138    HB2  LEU  20           2HB      LEU  20   6.597   1.537   1.684
  139    HB3  LEU  20           1HB      LEU  20   7.485   1.580   3.208
  140    HG   LEU  20           HG       LEU  20   9.249   2.971   1.981
  141   HD11  LEU  20          1HD1      LEU  20   8.314   4.219  -0.009
  142   HD12  LEU  20          2HD1      LEU  20   6.991   3.053  -0.041
  143   HD13  LEU  20          3HD1      LEU  20   8.648   2.515  -0.312
  144   HD21  LEU  20          3HD2      LEU  20   7.608   3.941   3.565
  145   HD22  LEU  20          1HD2      LEU  20   6.446   4.112   2.249
  146   HD23  LEU  20          2HD2      LEU  20   7.940   5.048   2.233
  147    H    THR  21           H        THR  21   8.302  -0.886   3.800
  148    HA   THR  21           HA       THR  21  10.750  -0.067   5.113
  149    HB   THR  21           HB       THR  21   8.868  -2.428   5.499
  150    HG1  THR  21           1HG      THR  21   7.658  -0.881   6.219
  151   HG21  THR  21          3HG2      THR  21  11.233  -2.590   6.542
  152   HG22  THR  21          1HG2      THR  21   9.847  -2.823   7.606
  153   HG23  THR  21          2HG2      THR  21  10.702  -1.281   7.598
  154    H    LEU  22           H        LEU  22   9.805  -2.822   3.071
  155    HA   LEU  22           HA       LEU  22  12.228  -4.369   3.330
  156    HB2  LEU  22           2HB      LEU  22  10.027  -4.170   1.258
  157    HB3  LEU  22           1HB      LEU  22  11.327  -5.352   1.142
  158    HG   LEU  22           HG       LEU  22   9.676  -5.123   3.656
  159   HD11  LEU  22          1HD1      LEU  22   8.414  -5.550   1.323
  160   HD12  LEU  22          2HD1      LEU  22   7.957  -6.389   2.803
  161   HD13  LEU  22          3HD1      LEU  22   8.989  -7.190   1.619
  162   HD21  LEU  22          3HD2      LEU  22  11.192  -7.401   2.332
  163   HD22  LEU  22          1HD2      LEU  22  10.365  -7.484   3.888
  164   HD23  LEU  22          2HD2      LEU  22  11.774  -6.444   3.694
  165    H    SER  23           H        SER  23  11.170  -1.814   1.082
  166    HA   SER  23           HA       SER  23  13.357  -1.957  -0.766
  167    HB2  SER  23           2HB      SER  23  11.411   0.195   0.094
  168    HB3  SER  23           1HB      SER  23  12.597   0.470  -1.175
  169    HG   SER  23           HG       SER  23  10.327  -1.148  -1.131
  170    HA   PRO  24           HA       PRO  24  16.678  -0.083   1.457
  171    HB2  PRO  24           2HB      PRO  24  17.903   1.437  -0.460
  172    HB3  PRO  24           1HB      PRO  24  17.987  -0.336  -0.419
  173    HG2  PRO  24           2HG      PRO  24  16.270   1.429  -2.084
  174    HG3  PRO  24           1HG      PRO  24  17.106  -0.072  -2.518
  175    HD2  PRO  24           2HD      PRO  24  14.453   0.037  -1.980
  176    HD3  PRO  24           1HD      PRO  24  15.450  -1.403  -1.677
  177    H    HIS  25           H        HIS  25  14.889   1.178   2.631
  178    HA   HIS  25           HA       HIS  25  15.225   4.132   2.192
  179    HB2  HIS  25           2HB      HIS  25  12.795   2.421   2.740
  180    HB3  HIS  25           1HB      HIS  25  12.809   4.122   3.203
  181    HD1  HIS  25           1HD      HIS  25  13.351   1.962   0.117
  182    HD2  HIS  25           2HD      HIS  25  12.267   5.863   1.104
  183    HE1  HIS  25           1HE      HIS  25  12.717   3.098  -2.056
  184    H    TYR  26           H        TYR  26  14.073   1.731   4.612
  185    HA   TYR  26           HA       TYR  26  15.144   3.418   6.810
  186    HB2  TYR  26           2HB      TYR  26  13.412   0.936   6.618
  187    HB3  TYR  26           1HB      TYR  26  13.999   1.547   8.162
  188    HD1  TYR  26           2HD      TYR  26  13.514   4.030   8.728
  189    HD2  TYR  26           1HD      TYR  26  11.472   1.850   5.637
  190    HE1  TYR  26           2HE      TYR  26  11.672   5.689   8.773
  191    HE2  TYR  26           1HE      TYR  26   9.634   3.509   5.683
  192    HH   TYR  26           HH       TYR  26   8.841   5.314   7.873
  193    H    LYS  27           H        LYS  27  17.316   3.108   7.183
  194    HA   LYS  27           HA       LYS  27  18.331   0.334   7.523
  195    HB2  LYS  27           2HB      LYS  27  18.643   1.770   5.155
  196    HB3  LYS  27           1HB      LYS  27  20.171   2.026   5.998
  197    HG2  LYS  27           2HG      LYS  27  18.977  -0.734   5.798
  198    HG3  LYS  27           1HG      LYS  27  19.939  -0.072   4.475
  199    HD2  LYS  27           2HD      LYS  27  21.823   0.305   6.001
  200    HD3  LYS  27           1HD      LYS  27  20.867  -0.301   7.354
  201    HE2  LYS  27           2HE      LYS  27  20.640  -2.495   6.128
  202    HE3  LYS  27           1HE      LYS  27  21.790  -1.877   4.926
  203    HZ1  LYS  27           3HZ      LYS  27  23.326  -1.381   6.788
  204    HZ2  LYS  27           1HZ      LYS  27  23.021  -3.038   6.601
  205    HZ3  LYS  27           2HZ      LYS  27  22.257  -2.170   7.848