*HEADER    GLYCOPROTEIN, IMMUNE SYSTEM             04-FEB-02   1KYJ              
*TITLE     TUMOR ASSOCIATED MUCIN MOTIF FROM CD43 PROTEIN                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LEUKOSIALIN (CD43) FRAGMENT;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL GLYCOPENTAPEPTIDE;                              
*COMPND   5 SYNONYM: PENTAPEPTIDE FRAGMENT OF SIALOPHORIN;                       
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 OTHER_DETAILS: SER A 1, THR A 2, THR A 3 MODIFIED WITH               
*COMPND   8 GLYCOSYLATION BY STF ANTIGEN                                         
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: FRAGMENT OF HUMAN SEQUENCE                            
*KEYWDS    LEUKOSIALIN, CD43, MUCIN GLYCOPROTEIN                                 
*EXPDTA    NMR, 59 STRUCTURES                                                    
*AUTHOR    D.M.COLTART, L.J.WILLIAMS, P.W.GLUNZ, D.SAMES, S.D.KUDUK,             
*AUTHOR   2 J.B.SCHWARZ, X.-T.CHEN, A.K.ROYYURU, S.D.DANISHEFSKY,                
*AUTHOR   3 D.H.LIVE                                                             
*REVDAT   1   20-FEB-02 1KYJ    0                                                


! noe scale NOE 75.0 end

!W 3.40 1.60 1.60 ! W 5.0
!M 2.90 1.10 1.10 ! M 4.0
!S 2.40 0.60 0.60 ! S 3.0

! THR 3 

assi (resi  3 and resn THR  and name HN  )
     (resi  2 and resn THR  and name HN  ) 3.40 1.60 1.60 ! W
assi (resi  3 and resn THR  and name HN  )
     (resi  4 and resn ALA  and name HN  ) 3.40 1.60 1.60 ! W
assi (resi  3 and resn THR  and name HN  )
     (resi 13 and resn T3G1 and name HN2 ) 2.90 1.10 1.10 ! M
assi (resi  3 and resn THR  and name HN  )
     (resi  2 and resn THR  and name HA  ) 2.40 0.60 0.60 ! S
assi (resi  3 and resn THR  and name HN  )
     (resi  2 and resn THR  and name HB  ) 2.40 0.60 0.60 ! S
assi (resi  3 and resn THR  and name HN  )
     (resi 10 and resn T2G1 and name H1  ) 2.90 1.10 1.10 ! M
assi (resi  3 and resn THR  and name HN  )
     (resi  3 and resn THR  and name HB  ) 2.90 1.10 1.10 ! M
assi (resi  3 and resn THR  and name HN  )
     (resi  3 and resn THR  and name HA  ) 2.90 1.10 1.10 ! M
assi (resi  3 and resn THR  and name HN  )
     (resi  2 and resn THR  and name HG2*) 2.90 1.10 1.10 ! M
assi (resi  3 and resn THR  and name HN  )
     (resi  3 and resn THR  and name HG2*) 2.90 1.10 1.10 ! M
assi (resi  3 and resn THR  and name HN  )
     (resi 13 and resn T3G1 and name H2  ) 3.40 1.60 1.60 ! W
assi (resi  3 and resn THR  and name HN  )
     (resi 13 and resn T3G1 and name H8* ) 3.40 1.60 1.60 ! W
assi (resi  3 and resn THR  and name HN  )
     ((resi 10 or resi 13)  and name H3  ) 3.40 1.60 1.60 ! W
assi (resi  3 and resn THR  and name HN  )
     (resi  4 and resn ALA  and name HA  ) 3.40 1.60 1.60 ! W
assi (resi  3 and resn THR  and name HN  )
     (resi 13 and resn T3G1 and name H4  ) 3.40 1.60 1.60 ! W

     
assi (resi  3 and resn THR  and name HA  )
     (resi  3 and resn THR  and name HB  ) 2.90 1.10 1.10 ! M
assi (resi  3 and resn THR  and name HA  )
     (resi  3 and resn THR  and name HG2*) 2.40 0.60 0.60 ! S     
assi (resi  3 and resn THR  and name HG2*)
     (resi 13 and resn T3G1 and name H1  ) 3.40 1.60 1.60 ! W
assi (resi  3 and resn THR  and name HG2*)
     (resi 13 and resn T3G1 and name H3  ) 3.40 1.60 1.60 ! W
assi (resi  3 and resn THR  and name HG2*)
     (resi 13 and resn T3G1 and name H4  ) 3.40 1.60 1.60 ! W
assi (resi  3 and resn THR  and name HG2*)
     (resi  7 and resn S1G1 and name H8* ) 2.90 1.10 1.10 ! M
assi (resi  3 and resn THR  and name HA  )
     (resi  7 and resn S1G1 and name H8* ) 3.40 1.60 1.60 ! W
assi (resi  3 and resn THR and name  HB  )
     (resi  7 and resn S1G1 and name H8* ) 3.40 1.60 1.60 ! W

     
! THR 2 

assi (resi  2 and resn THR  and name HN  )
     (resi  1 and resn SER  and name HN  ) 3.40 1.60 1.60 ! W
assi (resi  2 and resn THR  and name HN  )
     (resi 10 and resn T2G1 and name HN2 ) 2.90 1.10 1.10 ! M
assi (resi  2 and resn THR  and name HN  )
     (resi  1 and resn SER  and name HB1 ) 2.90 1.10 1.10 ! M
assi (resi  2 and resn THR  and name HN  )
     (resi  1 and resn SER  and name HB2 ) 2.90 1.10 1.10 ! M
assi (resi  2 and resn THR  and name HN  )
     (resi  2 and resn THR  and name HB  ) 3.40 1.60 1.60 ! W
assi (resi  2 and resn THR  and name HN  )
     (resi  2 and resn THR  and name HG2*) 2.90 1.10 1.10 ! M
assi (resi  2 and resn THR  and name HN  )
     ((resi 10 or resi 13) and name H3   ) 3.40 1.60 1.60 ! W
assi (resi  2 and resn THR  and name HN  )
     (resi  2 and resn THR  and name HA  ) 2.90 1.10 1.10 ! M
assi (resi  2 and resn THR  and name HN  )
     (resi  1 and resn SER  and name HA  ) 2.40 0.60 0.60 ! S
assi (resi 2 and resn THR and name HN    )
     ((resi 7 or resi 10) and name H1    ) 3.40 1.60 1.60 ! W
assi (resi  2 and resn THR  and name HN  )
     (resi 10 and resn T2G1 and name H4  ) 3.40 1.60 1.60 ! W

assi (resi  2 and resn THR  and name HG2*)
     (resi 10 and resn T2G1 and name H4  ) 3.40 1.60 1.60 ! W
assi (resi  2 and resn THR  and name HG2*)
     (resi 10 and resn T2G1 and name H3  ) 3.40 1.60 1.60 ! W 
assi (resi  2 and resn THR  and name HA  )
     (resi  2 and resn THR  and name HB  ) 2.90 1.10 1.10 ! M
assi (resi  2 and resn THR  and name HB  )
     (resi 10 and resn T2G1 and name H1  ) 2.90 1.10 1.10 ! M
assi (resi  2 and resn THR  and name HG2*)
     (resi  2 and resn THR  and name HA  ) 2.90 1.10 1.10 ! M
assi (resi  2 and resn THR  and name HB  )
     (resi  3 and resn THR  and name HG2* ) 3.40 1.60 1.60 ! W

     
! SER 1 

assi (resi  1 and resn SER  and name HN  )
     (resi  1 and resn SER  and name HB1 ) 2.90 1.10 1.10 ! M
assi (resi  1 and resn SER  and name HN  )
     (resi  1 and resn SER  and name HB2 ) 2.90 1.10 1.10 ! M
assi (resi  1 and resn SER  and name HN  )
     (resi  7 and resn S1G1 and name HN2 ) 3.40 1.60 1.60 ! W
assi (resi  1 and resn SER  and name HN  )
     (resi  1 and resn SER  and name H2* ) 2.90 1.10 1.10 ! M
assi (resi  1 and resn SER  and name HN  )
     (resi  1 and resn SER  and name HA  ) 2.90 1.10 1.10 ! M
assi (resi  1 and resn SER  and name HN  )
     (resi  7 and resn S1G1 and name H3  ) 2.90 1.10 1.10 ! M
assi (resi  1 and resn SER  and name HN  )
     (resi  7 and resn S1G1 and name H1  ) 3.40 1.60 1.60 ! W
     
assi (resi  1 and resn SER  and name HA  )
     (resi  1 and resn SER  and name HB2 ) 2.90 1.10 1.10 ! M
assi (resi  1 and resn SER  and name HA  )
     (resi  1 and resn SER  and name HB1 ) 2.90 1.10 1.10 ! M
assi (resi  7 and resn S1G1 and name H1  )
     (resi  1 and resn SER  and name HB2 ) 2.90 1.10 1.10 ! M
assi (resi  7 and resn S1G1 and name H1  )
     (resi  1 and resn SER  and name HB1 ) 2.90 1.10 1.10 ! M


! ALA 4 

assi (resi  4 and resn ALA  and name HN  )
     (resi  5 and resn VAL  and name HN  ) 2.90 1.10 1.10 ! M
assi (resi  4 and resn ALA  and name HN  )
     (resi 10 and resn T2G1 and name H1  ) 3.65 1.85 1.85 ! W 
assi (resi  4 and resn ALA  and name HN  )
     (resi  3 and resn THR  and name HA  ) 2.40 0.60 0.60 ! S
assi (resi  4 and resn ALA  and name HN  )
     (resi  4 and resn ALA  and name HA  ) 2.90 1.10 1.10 ! M
assi (resi  4 and resn ALA  and name HN  )
     (resi  3 and resn THR  and name HB  ) 2.40 0.60 0.60 ! S
assi (resi  4 and resn ALA  and name HN  )
     (resi  4 and resn ALA  and name HB* ) 2.90 1.10 1.10 ! M
assi (resi  4 and resn ALA  and name HN  )
     (resi  3 and resn THR  and name HG2*) 3.40 1.60 1.60 ! W
assi (resi  4 and resn ALA  and name HN  )
     (resi 10 and resn T2G1 and name H8* ) 2.90 1.10 1.10 ! M
assi (resi  4 and resn ALA  and name HN  )
     (resi 13 and resn T3G1 and name H1  ) 3.40 1.60 1.60 ! W 

assi (resi  4 and resn ALA  and name HB* )
     (resi  3 and resn THR  and name HA  ) 3.40 1.60 1.60 ! W
assi (resi  4 and resn ALA  and name HB* )
     (resi 10 and resn T2G1 and name H8* ) 2.90 1.10 1.10 ! M
assi (resi  4 and resn ALA  and name HA  )
     (resi 13 and resn T3G1 and name H8* ) 3.40 1.60 1.60 ! W


! VAL 5 

assi (resi  5 and resn VAL  and name HN  )
     (resi  4 and resn ALA  and name HA  ) 2.40 0.60 0.60 ! S
assi (resi  5 and resn VAL  and name HN  )
     (resi  5 and resn VAL  and name HB  ) 2.90 1.10 1.10 ! M
assi (resi  5 and resn VAL  and name HN  )
     (resi  5 and resn VAL  and name HA  ) 2.90 1.10 1.10 ! M
assi (resi  5 and resn VAL  and name HN  )
     (resi  4 and resn ALA  and name HB* ) 2.90 1.10 1.10 ! M
assi (resi  5 and resn VAL  and name HN  )
     (resi  5 and resn VAL  and name HG* ) 3.40 1.60 1.60 ! W

     
assi (resi  5 and resn VAL  and name HG* )
     (resi  4 and resn ALA  and name HA  ) 3.40 1.60 1.60 ! W
assi (resi  5 and resn VAL  and name HG* )
     (resi  5 and resn VAL  and name HA  ) 3.40 1.60 1.60 ! W

! SER1 GalNAC 

assi (resi  7 and resn S1G1 and name HN2 )
     (resi  7 and resn S1G1 and name H1  ) 2.90 1.10 1.10 ! M
assi (resi  7 and resn S1G1 and name HN2 )
     (resi  7 and resn S1G1 and name H2  ) 2.90 1.10 1.10 ! M
assi (resi  7 and resn S1G1 and name HN2 )
     (resi  7 and resn S1G1 and name H3  ) 2.90 1.10 1.10 ! M
assi (resi  7 and resn S1G1 and name HN2 )
     (resi  7 and resn S1G1 and name H8* ) 2.90 1.10 1.10 ! M
assi (resi  7 and resn S1G1 and name HN2 )
     (resi  1 and resn SER  and name HB* ) 3.40 1.60 1.60 ! W
assi (resi  7 and resn S1G1 and name HN2 )
     (resi  1 and resn SER  and name HA  ) 3.40 1.60 1.60 ! W
assi (resi  7 and resn S1G1 and name HN2 )
     (resi  8 and resn S1G3 and name H1  ) 2.90 1.10 1.10 ! M
     
assi (resi  7 and resn S1G1 and name H3  )
     (resi  8 and resn S1G3 and name H1  ) 2.40 0.60 0.60 ! S
assi (resi  7 and resn S1G1 and name H1 )
     (resi  7 and resn S1G1 and name H2  ) 2.90 1.10 1.10 ! M
assi (resi  7 and resn S1G1 and name H2  )
     (resi  8 and resn S1G3 and name H1  ) 3.40 1.60 1.60 ! w 

     
! THR3 GalNAC 

assi (resi 13 and resn T3G1 and name HN2 )
     (resi 13 and resn T3G1 and name H1  ) 2.90 1.10 1.10 ! M
assi (resi 13 and resn T3G1 and name HN2 )
     (resi 10 and resn T2G1 and name H1  ) 3.40 1.60 1.60 ! W 
assi (resi 13 and resn T3G1 and name HN2 )
     (resi 13 and resn T3G1 and name H3  ) 2.90 1.10 1.10 ! M
assi (resi 13 and resn T3G1 and name HN2 )
     (resi 13 and resn T3G1 and name H2  ) 2.90 1.10 1.10 ! M
assi (resi 13 and resn T3G1 and name HN2 )
     (resi 13 and resn T3G1 and name H8* ) 2.90 1.10 1.10 ! M
assi (resi 13 and resn T3G1 and name HN2 )
     (resi  2 and resn THR  and name HG2*) 3.40 1.60 1.60 ! W
assi (resi 13 and resn T3G1 and name HN2 )
     (resi  3 and resn THR  and name HB  ) 3.40 1.60 1.60 ! W
assi (resi 13 and resn T3G1 and name HN2 )
     (resi  3 and resn THR  and name HG2*) 3.40 1.60 1.60 ! W
assi (resi 13 and resn T3G1 and name HN2 )
     (resi  2 and resn THR  and name HB  ) 3.40 1.60 1.60 ! W
assi (resi 13 and resn T3G1 and name HN2 )
     (resi  3 and resn THR  and name HA  ) 3.40 1.60 1.60 ! W
assi (resi 13 and resn T3G1 and name HN2 )
     (resi 14 and resn T3G3 and name H1  ) 2.90 1.10 1.10 ! M


assi (resi 13 and resn T3G1 and name H3  )
     (resi 14 and resn T3G3 and name H1  ) 2.40 0.60 0.60 ! S
assi (resi 13 and resn T3G1 and name H2  )
     (resi 14 and resn T3G3 and name H1  ) 3.40 1.60 1.60 ! W     
assi (resi 13 and resn T3G1 and name H1  )
     (resi  3 and resn THR  and name HB  ) 3.40 1.60 1.60 ! W
assi (resi 13 and resn T3G1 and name H2 )
     (resi 13 and resn T3G1 and name H1  ) 2.90 1.10 1.10 ! M


! THR2 GalNAC 

assi (resi 10 and resn T2G1 and name HN2 )
     (resi 10 and resn T2G1 and name H1  ) 2.90 1.10 1.10 ! M
assi (resi 10 and resn T2G1 and name HN2 )
     (resi  3 and resn THR  and name HA  ) 3.40 1.60 1.60 ! W
assi (resi 10 and resn T2G1 and name HN2 )
     (resi 10 and resn T2G1 and name H2  ) 2.90 1.10 1.10 ! M
assi (resi 10 and resn T2G1 and name HN2 )
     (resi 10 and resn T2G1 and name H8* ) 2.90 1.10 1.10 ! M
assi (resi 10 and resn T2G1 and name HN2 )
     (resi 10 and resn T2G1 and name H3  ) 2.90 1.10 1.10 ! M
assi (resi 10 and resn T2G1 and name HN2 )
     (resi  2 and resn THR  and name HG2*) 3.65 1.85 1.85 ! W 
assi (resi 10 and resn T2G1 and name HN2 )
     ((resi  2 and name HA) or (resi 13 and name H1)) 3.40 1.60 1.60 ! W
assi (resi 10 and resn T2G1 and name HN2 )
     (resi 11 and resn T2G3 and name H1  ) 2.90 1.10 1.10 ! M

assi (resi 10 and resn T2G1 and name H2  )
     (resi 11 and resn T2G3 and name H1  ) 3.40 1.60 1.60 ! W
assi (resi 10 and resn T2G1 and name H3  )
     (resi 11 and resn T2G3 and name H1  ) 2.40 0.60 0.60 ! S
assi (resi 10 and resn T2G1 and name H1  )
     (resi 10 and resn T2G1 and name H2  ) 2.90 1.10 1.10 ! M
assi (resi 10 and resn T2G1 and name H1  )
     (resi  2 and resn THR  and name HG2*) 2.90 1.10 1.10 ! M

! Dihedral Constraints
! chi 1 angles for S1, T2 and T3

! restraint dihedral scale=200 end

assign (resid 2 and name HA) (resid 2 and name CA)
       (resid 2 and name CB) (resid 2 and name HB)  1.0 275.0 25.0 2

assign (resid 3 and name HA) (resid 3 and name CA)
       (resid 3 and name CB) (resid 3 and name HB)  1.0 275.0 25.0 2

assign (resid 1 and name N) (resid 1 and name CA)
       (resid 1 and name CB) (resid 1 and name OG)  1.0 60.0 25.0 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ACE   0          1H        ACE   0  -4.514  33.387 -28.536
    2   2H    ACE   0          2H        ACE   0  -3.186  32.349 -28.010
    3   3H    ACE   0          3H        ACE   0  -3.062  34.102 -27.831
    4    H    SER   1           H        SER   1  -2.513  32.855 -25.689
    5    HA   SER   1           HA       SER   1  -4.638  33.528 -23.864
    6   1HB   SER   1          1HB       SER   1  -4.565  31.273 -22.734
    7   2HB   SER   1          2HB       SER   1  -5.320  31.265 -24.334
    8    H    THR   2           H        THR   2  -3.905  32.909 -21.530
    9    HA   THR   2           HA       THR   2  -1.166  33.890 -21.242
   10    HB   THR   2           HB       THR   2  -1.916  34.132 -18.799
   11   1HG2  THR   2          1HG2      THR   2  -3.417  35.677 -20.902
   12   2HG2  THR   2          2HG2      THR   2  -3.276  36.130 -19.204
   13   3HG2  THR   2          3HG2      THR   2  -1.839  36.086 -20.228
   14    H    THR   3           H        THR   3  -0.519  33.019 -18.736
   15    HA   THR   3           HA       THR   3  -0.060  30.159 -19.168
   16    HB   THR   3           HB       THR   3   1.741  30.598 -17.386
   17   1HG2  THR   3          1HG2      THR   3   2.247  30.457 -19.811
   18   2HG2  THR   3          2HG2      THR   3   1.992  32.199 -19.921
   19   3HG2  THR   3          3HG2      THR   3   3.306  31.560 -18.930
   20    H    ALA   4           H        ALA   4  -0.372  28.671 -17.458
   21    HA   ALA   4           HA       ALA   4  -2.463  29.454 -15.637
   22   1HB   ALA   4          1HB       ALA   4  -1.211  26.722 -15.781
   23   2HB   ALA   4          2HB       ALA   4  -2.854  27.160 -15.311
   24   3HB   ALA   4          3HB       ALA   4  -2.358  27.272 -17.000
   25    H    VAL   5           H        VAL   5  -1.440  27.249 -13.773
   26    HA   VAL   5           HA       VAL   5   0.851  28.536 -12.526
   27    HB   VAL   5           HB       VAL   5  -0.401  28.410 -10.263
   28   1HG1  VAL   5          1HG1      VAL   5  -1.021  30.691 -10.404
   29   2HG1  VAL   5          2HG1      VAL   5   0.351  30.472 -11.491
   30   3HG1  VAL   5          3HG1      VAL   5  -1.284  30.586 -12.144
   31   1HG2  VAL   5          1HG2      VAL   5  -2.397  27.250 -11.124
   32   2HG2  VAL   5          2HG2      VAL   5  -2.809  28.791 -10.372
   33   3HG2  VAL   5          3HG2      VAL   5  -2.769  28.650 -12.129
   34    H2   A2G   7           H2       A2G   7  -2.483  27.367 -23.828
   35    H4   A2G   7           H4       A2G   7  -3.696  28.277 -27.646
   36    H5   A2G   7           H5       A2G   7  -4.495  29.989 -26.151
   37    H1   A2G   7           H1       A2G   7  -3.914  29.050 -22.849
   38    H3   A2G   7           H3       A2G   7  -1.890  28.918 -26.336
   39    HO4  A2G   7           HO4      A2G   7  -4.521  26.279 -25.706
   40   1H6   A2G   7          1H6       A2G   7  -6.910  28.277 -25.963
   41   2H6   A2G   7          2H6       A2G   7  -6.681  29.794 -26.822
   42    HN2  A2G   7           HN2      A2G   7  -1.087  29.883 -24.478
   43   1H8   A2G   7          1H8       A2G   7   0.751  29.605 -21.545
   44   2H8   A2G   7          2H8       A2G   7   1.464  29.141 -23.101
   45   3H8   A2G   7          3H8       A2G   7   0.394  30.552 -23.001
   46    H2   A2G  10           H2       A2G  10  -5.093  32.226 -16.566
   47    H4   A2G  10           H4       A2G  10  -7.633  34.475 -18.825
   48    H5   A2G  10           H5       A2G  10  -5.393  35.156 -19.309
   49    H1   A2G  10           H1       A2G  10  -3.125  33.432 -17.375
   50    H3   A2G  10           H3       A2G  10  -6.525  32.498 -19.228
   51    HO4  A2G  10           HO4      A2G  10  -6.968  34.446 -16.000
   52   1H6   A2G  10          1H6       A2G  10  -5.564  37.052 -17.088
   53   2H6   A2G  10          2H6       A2G  10  -5.752  37.339 -18.801
   54    HN2  A2G  10           HN2      A2G  10  -4.338  31.320 -19.278
   55   1H8   A2G  10          1H8       A2G  10  -2.834  29.111 -18.656
   56   2H8   A2G  10          2H8       A2G  10  -4.064  28.040 -17.960
   57   3H8   A2G  10          3H8       A2G  10  -4.426  28.971 -19.424
   58    H2   A2G  13           H2       A2G  13   1.750  33.781 -14.381
   59    H4   A2G  13           H4       A2G  13   3.473  35.854 -17.486
   60    H5   A2G  13           H5       A2G  13   3.189  33.617 -18.172
   61    H1   A2G  13           H1       A2G  13   1.783  31.716 -15.662
   62    H3   A2G  13           H3       A2G  13   1.324  35.538 -16.813
   63    HO4  A2G  13           HO4      A2G  13   4.444  35.037 -14.871
   64   1H6   A2G  13          1H6       A2G  13   5.738  34.562 -17.745
   65   2H6   A2G  13          2H6       A2G  13   5.790  33.058 -16.832
   66    HN2  A2G  13           HN2      A2G  13  -0.410  33.743 -16.399
   67   1H8   A2G  13          1H8       A2G  13  -2.428  34.458 -15.534
   68   2H8   A2G  13          2H8       A2G  13  -2.521  32.871 -14.750
   69   3H8   A2G  13          3H8       A2G  13  -2.715  34.347 -13.788
  Start of MODEL    2
    1   1H    ACE   0          1H        ACE   0  -7.693  -4.870 -35.164
    2   2H    ACE   0          2H        ACE   0  -8.032  -4.196 -36.761
    3   3H    ACE   0          3H        ACE   0  -8.596  -3.360 -35.311
    4    H    SER   1           H        SER   1  -7.341  -1.837 -36.913
    5    HA   SER   1           HA       SER   1  -4.485  -1.776 -36.506
    6   1HB   SER   1          1HB       SER   1  -4.453   0.076 -37.978
    7   2HB   SER   1          2HB       SER   1  -5.742  -0.959 -38.595
    8    H    THR   2           H        THR   2  -3.337  -0.029 -35.544
    9    HA   THR   2           HA       THR   2  -4.683   1.041 -33.171
   10    HB   THR   2           HB       THR   2  -2.174   1.717 -32.700
   11   1HG2  THR   2          1HG2      THR   2  -2.011  -1.094 -32.438
   12   2HG2  THR   2          2HG2      THR   2  -2.350   0.109 -31.191
   13   3HG2  THR   2          3HG2      THR   2  -3.677  -0.616 -32.099
   14    H    THR   3           H        THR   3  -3.076   3.232 -32.633
   15    HA   THR   3           HA       THR   3  -3.884   5.098 -34.744
   16    HB   THR   3           HB       THR   3  -3.544   6.752 -32.769
   17   1HG2  THR   3          1HG2      THR   3  -5.754   6.053 -33.608
   18   2HG2  THR   3          2HG2      THR   3  -5.684   4.651 -32.538
   19   3HG2  THR   3          3HG2      THR   3  -5.735   6.281 -31.858
   20    H    ALA   4           H        ALA   4  -2.413   7.174 -34.635
   21    HA   ALA   4           HA       ALA   4   0.374   6.607 -34.125
   22   1HB   ALA   4          1HB       ALA   4   0.385   7.589 -36.783
   23   2HB   ALA   4          2HB       ALA   4   0.950   6.025 -36.196
   24   3HB   ALA   4          3HB       ALA   4  -0.718   6.215 -36.737
   25    H    VAL   5           H        VAL   5   1.097   8.371 -33.158
   26    HA   VAL   5           HA       VAL   5   0.589  10.991 -34.319
   27    HB   VAL   5           HB       VAL   5  -1.249  10.719 -32.713
   28   1HG1  VAL   5          1HG1      VAL   5   0.791  10.566 -30.511
   29   2HG1  VAL   5          2HG1      VAL   5  -0.955  10.340 -30.408
   30   3HG1  VAL   5          3HG1      VAL   5   0.045   9.135 -31.219
   31   1HG2  VAL   5          1HG2      VAL   5  -0.992  12.794 -31.581
   32   2HG2  VAL   5          2HG2      VAL   5   0.766  12.649 -31.568
   33   3HG2  VAL   5          3HG2      VAL   5  -0.086  12.933 -33.087
   34    H2   A2G   7           H2       A2G   7  -7.563   3.392 -39.155
   35    H4   A2G   7           H4       A2G   7  -9.981   0.084 -39.571
   36    H5   A2G   7           H5       A2G   7  -7.803  -0.576 -38.740
   37    H1   A2G   7           H1       A2G   7  -5.574   2.077 -38.948
   38    H3   A2G   7           H3       A2G   7  -9.437   1.458 -37.807
   39    HO4  A2G   7           HO4      A2G   7  -8.656   1.849 -41.465
   40   1H6   A2G   7          1H6       A2G   7  -8.819  -1.576 -41.038
   41   2H6   A2G   7          2H6       A2G   7  -7.312  -0.928 -41.681
   42    HN2  A2G   7           HN2      A2G   7  -7.455   2.288 -36.425
   43   1H8   A2G   7          1H8       A2G   7  -8.580   4.907 -35.026
   44   2H8   A2G   7          2H8       A2G   7  -7.300   3.692 -34.851
   45   3H8   A2G   7          3H8       A2G   7  -6.882   5.372 -35.236
   46    H2   A2G  10           H2       A2G  10   0.856   1.976 -35.709
   47    H4   A2G  10           H4       A2G  10   0.816  -2.086 -35.700
   48    H5   A2G  10           H5       A2G  10  -0.376  -1.364 -33.808
   49    H1   A2G  10           H1       A2G  10  -0.528   2.084 -33.669
   50    H3   A2G  10           H3       A2G  10  -0.646  -0.539 -36.562
   51    HO4  A2G  10           HO4      A2G  10   2.873  -0.057 -35.461
   52   1H6   A2G  10          1H6       A2G  10   2.492  -2.010 -33.333
   53   2H6   A2G  10          2H6       A2G  10   1.697  -1.211 -31.996
   54    HN2  A2G  10           HN2      A2G  10  -1.944   1.440 -36.465
   55   1H8   A2G  10          1H8       A2G  10  -1.912   3.955 -38.545
   56   2H8   A2G  10          2H8       A2G  10  -2.961   3.003 -37.482
   57   3H8   A2G  10          3H8       A2G  10  -2.495   4.652 -37.021
   58    H2   A2G  13           H2       A2G  13  -1.995   6.211 -28.667
   59    H4   A2G  13           H4       A2G  13  -5.179   3.641 -28.292
   60    H5   A2G  13           H5       A2G  13  -5.277   4.660 -30.433
   61    H1   A2G  13           H1       A2G  13  -2.754   6.999 -30.818
   62    H3   A2G  13           H3       A2G  13  -3.017   3.401 -29.009
   63    HO4  A2G  13           HO4      A2G  13  -4.548   6.192 -27.058
   64   1H6   A2G  13          1H6       A2G  13  -6.785   6.853 -29.086
   65   2H6   A2G  13          2H6       A2G  13  -7.310   5.702 -30.296
   66    HN2  A2G  13           HN2      A2G  13  -1.375   4.248 -30.770
   67   1H8   A2G  13          1H8       A2G  13   1.171   4.734 -31.228
   68   2H8   A2G  13          2H8       A2G  13   2.025   4.401 -29.710
   69   3H8   A2G  13          3H8       A2G  13   0.823   3.250 -30.322
  Start of MODEL    3
    1   1H    ACE   0          1H        ACE   0  18.190 -25.346 -18.889
    2   2H    ACE   0          2H        ACE   0  19.166 -23.906 -19.192
    3   3H    ACE   0          3H        ACE   0  19.668 -25.467 -19.847
    4    H    SER   1           H        SER   1  16.830 -23.389 -19.772
    5    HA   SER   1           HA       SER   1  15.954 -24.210 -22.399
    6   1HB   SER   1          1HB       SER   1  14.131 -22.546 -22.009
    7   2HB   SER   1          2HB       SER   1  14.279 -23.719 -20.698
    8    H    THR   2           H        THR   2  15.468 -22.619 -24.105
    9    HA   THR   2           HA       THR   2  17.688 -20.733 -24.396
   10    HB   THR   2           HB       THR   2  16.788 -20.625 -26.796
   11   1HG2  THR   2          1HG2      THR   2  17.469 -23.410 -26.644
   12   2HG2  THR   2          2HG2      THR   2  18.400 -22.063 -27.298
   13   3HG2  THR   2          3HG2      THR   2  18.515 -22.464 -25.584
   14    H    THR   3           H        THR   3  16.744 -18.933 -26.185
   15    HA   THR   3           HA       THR   3  14.781 -17.440 -24.602
   16    HB   THR   3           HB       THR   3  15.770 -15.517 -26.006
   17   1HG2  THR   3          1HG2      THR   3  17.526 -17.026 -24.085
   18   2HG2  THR   3          2HG2      THR   3  17.745 -15.342 -24.569
   19   3HG2  THR   3          3HG2      THR   3  16.315 -15.816 -23.654
   20    H    ALA   4           H        ALA   4  12.965 -16.607 -25.513
   21    HA   ALA   4           HA       ALA   4  12.169 -17.742 -28.040
   22   1HB   ALA   4          1HB       ALA   4  10.620 -16.102 -26.040
   23   2HB   ALA   4          2HB       ALA   4   9.952 -16.789 -27.520
   24   3HB   ALA   4          3HB       ALA   4  10.559 -17.850 -26.251
   25    H    VAL   5           H        VAL   5  13.117 -16.711 -29.629
   26    HA   VAL   5           HA       VAL   5  13.117 -13.798 -29.760
   27    HB   VAL   5           HB       VAL   5  14.439 -14.107 -31.863
   28   1HG1  VAL   5          1HG1      VAL   5  15.452 -13.802 -29.606
   29   2HG1  VAL   5          2HG1      VAL   5  15.629 -15.554 -29.507
   30   3HG1  VAL   5          3HG1      VAL   5  16.481 -14.649 -30.758
   31   1HG2  VAL   5          1HG2      VAL   5  13.595 -16.344 -32.465
   32   2HG2  VAL   5          2HG2      VAL   5  15.356 -16.307 -32.384
   33   3HG2  VAL   5          3HG2      VAL   5  14.427 -17.025 -31.068
   34    H2   A2G   7           H2       A2G   7  13.453 -18.961 -19.614
   35    H4   A2G   7           H4       A2G   7  14.575 -21.117 -16.322
   36    H5   A2G   7           H5       A2G   7  14.532 -22.604 -18.200
   37    H1   A2G   7           H1       A2G   7  13.260 -20.930 -20.994
   38    H3   A2G   7           H3       A2G   7  15.732 -19.982 -17.934
   39    HO4  A2G   7           HO4      A2G   7  12.010 -20.052 -17.196
   40   1H6   A2G   7          1H6       A2G   7  12.965 -24.100 -17.384
   41   2H6   A2G   7          2H6       A2G   7  12.833 -22.918 -16.092
   42    HN2  A2G   7           HN2      A2G   7  16.133 -19.857 -20.451
   43   1H8   A2G   7          1H8       A2G   7  16.581 -16.620 -21.878
   44   2H8   A2G   7          2H8       A2G   7  17.525 -17.686 -20.825
   45   3H8   A2G   7          3H8       A2G   7  16.781 -18.328 -22.299
   46    H2   A2G  10           H2       A2G  10  12.808 -21.398 -28.225
   47    H4   A2G  10           H4       A2G  10  13.674 -25.339 -27.722
   48    H5   A2G  10           H5       A2G  10  15.680 -24.117 -27.436
   49    H1   A2G  10           H1       A2G  10  15.138 -20.724 -27.847
   50    H3   A2G  10           H3       A2G  10  13.059 -23.691 -26.252
   51    HO4  A2G  10           HO4      A2G  10  12.979 -23.720 -30.029
   52   1H6   A2G  10          1H6       A2G  10  16.012 -24.208 -30.380
   53   2H6   A2G  10          2H6       A2G  10  16.894 -25.055 -29.128
   54    HN2  A2G  10           HN2      A2G  10  13.464 -21.418 -25.344
   55   1H8   A2G  10          1H8       A2G  10  11.880 -20.413 -24.079
   56   2H8   A2G  10          2H8       A2G  10  12.423 -18.838 -24.683
   57   3H8   A2G  10          3H8       A2G  10  10.715 -19.297 -24.812
   58    H2   A2G  13           H2       A2G  13  18.576 -15.448 -29.408
   59    H4   A2G  13           H4       A2G  13  21.293 -16.863 -26.660
   60    H5   A2G  13           H5       A2G  13  19.184 -16.561 -25.579
   61    H1   A2G  13           H1       A2G  13  16.915 -15.042 -27.721
   62    H3   A2G  13           H3       A2G  13  19.824 -17.848 -28.112
   63    HO4  A2G  13           HO4      A2G  13  20.956 -14.251 -27.896
   64   1H6   A2G  13          1H6       A2G  13  19.681 -14.884 -24.014
   65   2H6   A2G  13          2H6       A2G  13  21.266 -15.294 -24.641
   66    HN2  A2G  13           HN2      A2G  13  17.339 -17.997 -28.609
   67   1H8   A2G  13          1H8       A2G  13  16.326 -18.398 -31.990
   68   2H8   A2G  13          2H8       A2G  13  17.262 -19.438 -30.901
   69   3H8   A2G  13          3H8       A2G  13  15.798 -18.630 -30.312
  Start of MODEL    4
    1   1H    ACE   0          1H        ACE   0  33.092  36.818 -22.710
    2   2H    ACE   0          2H        ACE   0  33.127  38.297 -21.744
    3   3H    ACE   0          3H        ACE   0  32.022  36.987 -21.315
    4    H    SER   1           H        SER   1  33.449  37.857 -19.372
    5    HA   SER   1           HA       SER   1  35.973  36.490 -19.082
    6   1HB   SER   1          1HB       SER   1  35.966  37.474 -16.811
    7   2HB   SER   1          2HB       SER   1  35.645  38.685 -18.052
    8    H    THR   2           H        THR   2  35.820  35.698 -16.371
    9    HA   THR   2           HA       THR   2  34.355  33.192 -16.682
   10    HB   THR   2           HB       THR   2  35.673  32.569 -14.592
   11   1HG2  THR   2          1HG2      THR   2  36.438  32.445 -17.203
   12   2HG2  THR   2          2HG2      THR   2  37.787  33.306 -16.459
   13   3HG2  THR   2          3HG2      THR   2  37.304  31.723 -15.847
   14    H    THR   3           H        THR   3  33.955  32.399 -14.129
   15    HA   THR   3           HA       THR   3  31.827  34.192 -13.209
   16    HB   THR   3           HB       THR   3  31.101  32.047 -11.992
   17   1HG2  THR   3          1HG2      THR   3  30.015  32.797 -14.068
   18   2HG2  THR   3          2HG2      THR   3  31.234  31.919 -14.995
   19   3HG2  THR   3          3HG2      THR   3  30.112  31.038 -13.955
   20    H    ALA   4           H        ALA   4  31.584  34.629 -10.969
   21    HA   ALA   4           HA       ALA   4  34.097  34.695  -9.562
   22   1HB   ALA   4          1HB       ALA   4  32.410  36.621  -9.735
   23   2HB   ALA   4          2HB       ALA   4  31.472  35.743  -8.527
   24   3HB   ALA   4          3HB       ALA   4  33.103  36.296  -8.148
   25    H    VAL   5           H        VAL   5  32.490  34.714  -6.970
   26    HA   VAL   5           HA       VAL   5  31.772  31.913  -6.673
   27    HB   VAL   5           HB       VAL   5  33.244  31.826  -4.548
   28   1HG1  VAL   5          1HG1      VAL   5  35.006  30.779  -5.728
   29   2HG1  VAL   5          2HG1      VAL   5  33.544  30.530  -6.685
   30   3HG1  VAL   5          3HG1      VAL   5  34.719  31.755  -7.168
   31   1HG2  VAL   5          1HG2      VAL   5  35.294  33.139  -4.621
   32   2HG2  VAL   5          2HG2      VAL   5  34.758  33.934  -6.101
   33   3HG2  VAL   5          3HG2      VAL   5  33.894  34.210  -4.588
   34    H2   A2G   7           H2       A2G   7  32.890  39.387 -14.082
   35    H4   A2G   7           H4       A2G   7  32.582  42.075 -17.169
   36    H5   A2G   7           H5       A2G   7  34.027  40.234 -17.844
   37    H1   A2G   7           H1       A2G   7  34.794  38.300 -15.031
   38    H3   A2G   7           H3       A2G   7  31.508  40.098 -16.654
   39    HO4  A2G   7           HO4      A2G   7  34.056  42.103 -14.656
   40   1H6   A2G   7          1H6       A2G   7  35.911  41.516 -18.367
   41   2H6   A2G   7          2H6       A2G   7  34.809  42.793 -17.870
   42    HN2  A2G   7           HN2      A2G   7  31.960  37.611 -16.240
   43   1H8   A2G   7          1H8       A2G   7  29.334  36.710 -14.821
   44   2H8   A2G   7          2H8       A2G   7  30.736  35.981 -15.627
   45   3H8   A2G   7          3H8       A2G   7  30.442  35.672 -13.905
   46    H2   A2G  10           H2       A2G  10  37.120  35.040 -11.406
   47    H4   A2G  10           H4       A2G  10  40.170  36.047 -13.933
   48    H5   A2G  10           H5       A2G  10  38.892  34.339 -14.971
   49    H1   A2G  10           H1       A2G  10  36.322  33.288 -12.899
   50    H3   A2G  10           H3       A2G  10  38.015  36.810 -13.706
   51    HO4  A2G  10           HO4      A2G  10  40.033  34.692 -11.366
   52   1H6   A2G  10          1H6       A2G  10  41.445  33.841 -14.252
   53   2H6   A2G  10          2H6       A2G  10  40.680  32.521 -13.378
   54    HN2  A2G  10           HN2      A2G  10  35.596  36.212 -13.649
   55   1H8   A2G  10          1H8       A2G  10  33.532  37.786 -11.275
   56   2H8   A2G  10          2H8       A2G  10  34.074  37.750 -12.963
   57   3H8   A2G  10          3H8       A2G  10  33.064  36.439 -12.328
   58    H2   A2G  13           H2       A2G  13  33.636  28.692 -10.828
   59    H4   A2G  13           H4       A2G  13  32.932  27.511 -14.687
   60    H5   A2G  13           H5       A2G  13  31.612  29.433 -14.279
   61    H1   A2G  13           H1       A2G  13  32.057  30.538 -11.025
   62    H3   A2G  13           H3       A2G  13  34.517  28.853 -13.710
   63    HO4  A2G  13           HO4      A2G  13  32.108  26.413 -12.132
   64   1H6   A2G  13          1H6       A2G  13  29.315  28.553 -13.956
   65   2H6   A2G  13          2H6       A2G  13  30.248  27.507 -15.017
   66    HN2  A2G  13           HN2      A2G  13  34.773  30.975 -12.318
   67   1H8   A2G  13          1H8       A2G  13  37.568  30.908 -10.192
   68   2H8   A2G  13          2H8       A2G  13  36.892  31.498 -11.719
   69   3H8   A2G  13          3H8       A2G  13  36.278  32.122 -10.179
  Start of MODEL    5
    1   1H    ACE   0          1H        ACE   0  36.265  45.857  -7.411
    2   2H    ACE   0          2H        ACE   0  35.275  44.791  -6.409
    3   3H    ACE   0          3H        ACE   0  34.713  46.422  -6.787
    4    H    SER   1           H        SER   1  33.932  46.908  -8.758
    5    HA   SER   1           HA       SER   1  33.748  44.953 -10.877
    6   1HB   SER   1          1HB       SER   1  31.403  44.636 -10.850
    7   2HB   SER   1          2HB       SER   1  31.883  44.455  -9.163
    8    H    THR   2           H        THR   2  32.985  45.830 -12.826
    9    HA   THR   2           HA       THR   2  33.062  48.760 -12.901
   10    HB   THR   2           HB       THR   2  33.348  48.353 -15.412
   11   1HG2  THR   2          1HG2      THR   2  35.327  48.970 -14.433
   12   2HG2  THR   2          2HG2      THR   2  35.356  47.575 -13.355
   13   3HG2  THR   2          3HG2      THR   2  35.725  47.373 -15.068
   14    H    THR   3           H        THR   3  31.811  49.217 -15.329
   15    HA   THR   3           HA       THR   3  28.999  48.785 -14.633
   16    HB   THR   3           HB       THR   3  28.780  50.686 -16.406
   17   1HG2  THR   3          1HG2      THR   3  28.531  51.046 -13.970
   18   2HG2  THR   3          2HG2      THR   3  30.276  51.298 -13.872
   19   3HG2  THR   3          3HG2      THR   3  29.275  52.411 -14.808
   20    H    ALA   4           H        ALA   4  27.589  48.949 -16.763
   21    HA   ALA   4           HA       ALA   4  28.737  47.561 -19.018
   22   1HB   ALA   4          1HB       ALA   4  27.910  45.510 -18.670
   23   2HB   ALA   4          2HB       ALA   4  27.598  46.018 -17.010
   24   3HB   ALA   4          3HB       ALA   4  26.326  46.143 -18.225
   25    H    VAL   5           H        VAL   5  28.003  48.670 -20.698
   26    HA   VAL   5           HA       VAL   5  25.152  49.232 -20.952
   27    HB   VAL   5           HB       VAL   5  27.226  51.422 -21.267
   28   1HG1  VAL   5          1HG1      VAL   5  25.182  52.872 -21.481
   29   2HG1  VAL   5          2HG1      VAL   5  25.484  51.783 -22.835
   30   3HG1  VAL   5          3HG1      VAL   5  24.240  51.391 -21.647
   31   1HG2  VAL   5          1HG2      VAL   5  26.006  52.481 -19.348
   32   2HG2  VAL   5          2HG2      VAL   5  25.155  50.953 -19.119
   33   3HG2  VAL   5          3HG2      VAL   5  26.906  51.027 -18.923
   34    H2   A2G   7           H2       A2G   7  28.056  46.918  -8.233
   35    H4   A2G   7           H4       A2G   7  31.215  47.735  -5.760
   36    H5   A2G   7           H5       A2G   7  31.979  46.344  -7.603
   37    H1   A2G   7           H1       A2G   7  29.223  45.171  -9.392
   38    H3   A2G   7           H3       A2G   7  30.462  48.660  -7.735
   39    HO4  A2G   7           HO4      A2G   7  28.964  45.912  -5.526
   40   1H6   A2G   7          1H6       A2G   7  31.923  43.987  -6.228
   41   2H6   A2G   7          2H6       A2G   7  33.009  45.302  -5.830
   42    HN2  A2G   7           HN2      A2G   7  29.921  48.124 -10.175
   43   1H8   A2G   7          1H8       A2G   7  29.143  49.614 -11.483
   44   2H8   A2G   7          2H8       A2G   7  27.647  48.926 -12.140
   45   3H8   A2G   7          3H8       A2G   7  27.585  50.390 -11.142
   46    H2   A2G  10           H2       A2G  10  31.904  44.997 -17.678
   47    H4   A2G  10           H4       A2G  10  35.236  43.111 -16.347
   48    H5   A2G  10           H5       A2G  10  35.461  45.394 -15.780
   49    H1   A2G  10           H1       A2G  10  32.641  47.162 -16.781
   50    H3   A2G  10           H3       A2G  10  33.209  43.529 -15.355
   51    HO4  A2G  10           HO4      A2G  10  34.247  43.825 -18.983
   52   1H6   A2G  10          1H6       A2G  10  36.447  45.914 -18.523
   53   2H6   A2G  10          2H6       A2G  10  37.323  45.873 -17.012
   54    HN2  A2G  10           HN2      A2G  10  31.418  45.223 -14.774
   55   1H8   A2G  10          1H8       A2G  10  29.396  44.883 -14.132
   56   2H8   A2G  10          2H8       A2G  10  28.433  45.972 -15.152
   57   3H8   A2G  10          3H8       A2G  10  28.189  44.216 -15.249
   58    H2   A2G  13           H2       A2G  13  31.793  51.422 -19.476
   59    H4   A2G  13           H4       A2G  13  33.756  53.234 -16.414
   60    H5   A2G  13           H5       A2G  13  31.547  52.888 -15.733
   61    H1   A2G  13           H1       A2G  13  29.747  51.153 -18.102
   62    H3   A2G  13           H3       A2G  13  33.477  51.033 -16.965
   63    HO4  A2G  13           HO4      A2G  13  33.117  53.995 -19.128
   64   1H6   A2G  13          1H6       A2G  13  32.163  55.339 -15.804
   65   2H6   A2G  13          2H6       A2G  13  31.303  55.478 -17.328
   66    HN2  A2G  13           HN2      A2G  13  31.889  49.107 -17.655
   67   1H8   A2G  13          1H8       A2G  13  32.382  47.105 -20.599
   68   2H8   A2G  13          2H8       A2G  13  33.132  47.235 -19.001
   69   3H8   A2G  13          3H8       A2G  13  31.370  47.130 -19.146
  Start of MODEL    6
    1   1H    ACE   0          1H        ACE   0  18.963 -45.666  14.370
    2   2H    ACE   0          2H        ACE   0  19.266 -46.625  12.918
    3   3H    ACE   0          3H        ACE   0  18.423 -47.345  14.293
    4    H    SER   1           H        SER   1  16.460 -46.200  14.980
    5    HA   SER   1           HA       SER   1  14.973 -44.727  13.000
    6   1HB   SER   1          1HB       SER   1  13.223 -46.361  12.666
    7   2HB   SER   1          2HB       SER   1  14.765 -47.124  12.271
    8    H    THR   2           H        THR   2  12.521 -44.699  13.824
    9    HA   THR   2           HA       THR   2  12.680 -43.822  16.612
   10    HB   THR   2           HB       THR   2  10.346 -42.879  16.004
   11   1HG2  THR   2          1HG2      THR   2  11.561 -41.028  15.919
   12   2HG2  THR   2          2HG2      THR   2  12.964 -41.892  15.287
   13   3HG2  THR   2          3HG2      THR   2  11.713 -41.313  14.183
   14    H    THR   3           H        THR   3   9.986 -44.011  17.316
   15    HA   THR   3           HA       THR   3   9.706 -46.896  17.716
   16    HB   THR   3           HB       THR   3   8.064 -46.066  19.511
   17   1HG2  THR   3          1HG2      THR   3  10.308 -46.827  20.116
   18   2HG2  THR   3          2HG2      THR   3  10.944 -45.220  19.762
   19   3HG2  THR   3          3HG2      THR   3   9.811 -45.445  21.094
   20    H    ALA   4           H        ALA   4   7.823 -47.978  17.186
   21    HA   ALA   4           HA       ALA   4   6.143 -46.651  15.258
   22   1HB   ALA   4          1HB       ALA   4   5.859 -49.502  16.188
   23   2HB   ALA   4          2HB       ALA   4   5.398 -48.800  14.636
   24   3HB   ALA   4          3HB       ALA   4   7.102 -49.015  15.037
   25    H    VAL   5           H        VAL   5   3.927 -48.588  16.052
   26    HA   VAL   5           HA       VAL   5   2.612 -46.757  17.900
   27    HB   VAL   5           HB       VAL   5   0.542 -48.053  17.372
   28   1HG1  VAL   5          1HG1      VAL   5   1.155 -46.026  16.133
   29   2HG1  VAL   5          2HG1      VAL   5   2.014 -47.017  14.953
   30   3HG1  VAL   5          3HG1      VAL   5   0.266 -47.173  15.132
   31   1HG2  VAL   5          1HG2      VAL   5   2.276 -49.457  15.329
   32   2HG2  VAL   5          2HG2      VAL   5   1.669 -50.195  16.812
   33   3HG2  VAL   5          3HG2      VAL   5   0.542 -49.667  15.564
   34    H2   A2G   7           H2       A2G   7  12.953 -50.833  14.384
   35    H4   A2G   7           H4       A2G   7  17.044 -50.427  14.815
   36    H5   A2G   7           H5       A2G   7  16.069 -48.395  13.905
   37    H1   A2G   7           H1       A2G   7  12.806 -48.979  12.892
   38    H3   A2G   7           H3       A2G   7  15.211 -49.850  16.096
   39    HO4  A2G   7           HO4      A2G   7  15.346 -51.978  13.030
   40   1H6   A2G   7          1H6       A2G   7  18.083 -48.825  12.755
   41   2H6   A2G   7          2H6       A2G   7  17.465 -50.226  11.917
   42    HN2  A2G   7           HN2      A2G   7  13.109 -48.380  15.997
   43   1H8   A2G   7          1H8       A2G   7  10.888 -49.790  18.269
   44   2H8   A2G   7          2H8       A2G   7  11.878 -48.389  17.823
   45   3H8   A2G   7          3H8       A2G   7  10.297 -48.637  17.059
   46    H2   A2G  10           H2       A2G  10   7.792 -44.809  13.120
   47    H4   A2G  10           H4       A2G  10   9.620 -42.362  10.442
   48    H5   A2G  10           H5       A2G  10  10.366 -41.730  12.597
   49    H1   A2G  10           H1       A2G  10   8.860 -43.693  15.024
   50    H3   A2G  10           H3       A2G  10  10.233 -44.372  11.368
   51    HO4  A2G  10           HO4      A2G  10   6.908 -42.521  11.469
   52   1H6   A2G  10          1H6       A2G  10   9.074 -39.667  13.105
   53   2H6   A2G  10          2H6       A2G  10   9.393 -39.836  11.383
   54    HN2  A2G  10           HN2      A2G  10  10.594 -45.699  13.439
   55   1H8   A2G  10          1H8       A2G  10   9.686 -48.419  14.885
   56   2H8   A2G  10          2H8       A2G  10   9.707 -48.889  13.176
   57   3H8   A2G  10          3H8       A2G  10  10.915 -47.749  13.796
   58    H2   A2G  13           H2       A2G  13   5.938 -42.250  19.636
   59    H4   A2G  13           H4       A2G  13   9.457 -41.001  21.316
   60    H5   A2G  13           H5       A2G  13   9.591 -43.353  20.993
   61    H1   A2G  13           H1       A2G  13   6.682 -44.570  19.611
   62    H3   A2G  13           H3       A2G  13   8.683 -41.108  19.170
   63    HO4  A2G  13           HO4      A2G  13   6.787 -41.315  22.409
   64   1H6   A2G  13          1H6       A2G  13   8.362 -43.951  23.518
   65   2H6   A2G  13          2H6       A2G  13  10.071 -43.783  23.155
   66    HN2  A2G  13           HN2      A2G  13   7.821 -42.773  17.428
   67   1H8   A2G  13          1H8       A2G  13   5.539 -41.194  15.232
   68   2H8   A2G  13          2H8       A2G  13   7.227 -41.678  15.474
   69   3H8   A2G  13          3H8       A2G  13   5.964 -42.914  15.325
  Start of MODEL    7
    1   1H    ACE   0          1H        ACE   0  10.246 -20.540   3.760
    2   2H    ACE   0          2H        ACE   0  10.469 -21.660   5.108
    3   3H    ACE   0          3H        ACE   0   9.735 -22.224   3.604
    4    H    SER   1           H        SER   1  11.634 -20.476   2.138
    5    HA   SER   1           HA       SER   1  13.727 -22.426   1.783
    6   1HB   SER   1          1HB       SER   1  14.314 -21.245  -0.174
    7   2HB   SER   1          2HB       SER   1  12.562 -21.072  -0.070
    8    H    THR   2           H        THR   2  15.934 -22.074   1.947
    9    HA   THR   2           HA       THR   2  16.686 -20.073   3.954
   10    HB   THR   2           HB       THR   2  18.865 -21.501   3.931
   11   1HG2  THR   2          1HG2      THR   2  18.075 -22.311   5.825
   12   2HG2  THR   2          2HG2      THR   2  16.457 -21.787   5.357
   13   3HG2  THR   2          3HG2      THR   2  17.012 -23.410   4.944
   14    H    THR   3           H        THR   3  19.452 -19.964   3.374
   15    HA   THR   3           HA       THR   3  19.421 -18.276   0.994
   16    HB   THR   3           HB       THR   3  21.689 -17.560   2.049
   17   1HG2  THR   3          1HG2      THR   3  20.626 -16.004   3.555
   18   2HG2  THR   3          2HG2      THR   3  19.652 -16.165   2.094
   19   3HG2  THR   3          3HG2      THR   3  19.160 -16.988   3.577
   20    H    ALA   4           H        ALA   4  20.796 -18.598  -0.685
   21    HA   ALA   4           HA       ALA   4  22.007 -21.200  -0.858
   22   1HB   ALA   4          1HB       ALA   4  21.731 -19.034  -2.939
   23   2HB   ALA   4          2HB       ALA   4  22.382 -20.649  -3.223
   24   3HB   ALA   4          3HB       ALA   4  20.695 -20.448  -2.749
   25    H    VAL   5           H        VAL   5  23.820 -21.301   0.193
   26    HA   VAL   5           HA       VAL   5  25.834 -19.203  -0.016
   27    HB   VAL   5           HB       VAL   5  25.886 -21.770   1.594
   28   1HG1  VAL   5          1HG1      VAL   5  27.700 -20.540   2.855
   29   2HG1  VAL   5          2HG1      VAL   5  28.127 -21.104   1.240
   30   3HG1  VAL   5          3HG1      VAL   5  27.744 -19.403   1.508
   31   1HG2  VAL   5          1HG2      VAL   5  25.483 -20.239   3.522
   32   2HG2  VAL   5          2HG2      VAL   5  25.213 -18.929   2.372
   33   3HG2  VAL   5          3HG2      VAL   5  24.132 -20.323   2.392
   34    H2   A2G   7           H2       A2G   7  13.966 -16.713  -1.381
   35    H4   A2G   7           H4       A2G   7  10.112 -17.236   0.041
   36    H5   A2G   7           H5       A2G   7  11.413 -19.268   0.338
   37    H1   A2G   7           H1       A2G   7  14.384 -19.067  -1.434
   38    H3   A2G   7           H3       A2G   7  12.126 -16.678   1.004
   39    HO4  A2G   7           HO4      A2G   7  11.237 -17.016  -2.634
   40   1H6   A2G   7          1H6       A2G   7   9.096 -19.210  -1.083
   41   2H6   A2G   7          2H6       A2G   7  10.151 -19.918  -2.297
   42    HN2  A2G   7           HN2      A2G   7  14.264 -17.357   1.491
   43   1H8   A2G   7          1H8       A2G   7  16.888 -15.391   1.711
   44   2H8   A2G   7          2H8       A2G   7  16.058 -16.782   2.432
   45   3H8   A2G   7          3H8       A2G   7  17.507 -17.028   1.439
   46    H2   A2G  10           H2       A2G  10  20.244 -23.997   0.726
   47    H4   A2G  10           H4       A2G  10  17.651 -26.781   2.217
   48    H5   A2G  10           H5       A2G  10  17.701 -24.957   3.716
   49    H1   A2G  10           H1       A2G  10  19.915 -22.522   2.642
   50    H3   A2G  10           H3       A2G  10  17.374 -24.981   0.810
   51    HO4  A2G  10           HO4      A2G  10  20.514 -26.715   1.763
   52   1H6   A2G  10          1H6       A2G  10  18.379 -27.224   4.693
   53   2H6   A2G  10          2H6       A2G  10  20.042 -26.662   4.666
   54    HN2  A2G  10           HN2      A2G  10  17.686 -22.541   0.482
   55   1H8   A2G  10          1H8       A2G  10  18.840 -20.402  -1.419
   56   2H8   A2G  10          2H8       A2G  10  18.535 -21.602  -2.688
   57   3H8   A2G  10          3H8       A2G  10  17.404 -21.438  -1.333
   58    H2   A2G  13           H2       A2G  13  24.005 -19.589   5.193
   59    H4   A2G  13           H4       A2G  13  21.152 -17.914   7.609
   60    H5   A2G  13           H5       A2G  13  20.793 -17.135   5.405
   61    H1   A2G  13           H1       A2G  13  23.164 -18.405   3.231
   62    H3   A2G  13           H3       A2G  13  21.265 -19.872   6.434
   63    HO4  A2G  13           HO4      A2G  13  24.021 -17.541   7.364
   64   1H6   A2G  13          1H6       A2G  13  22.822 -15.039   6.116
   65   2H6   A2G  13          2H6       A2G  13  21.147 -14.870   5.637
   66    HN2  A2G  13           HN2      A2G  13  21.587 -20.861   4.087
   67   1H8   A2G  13          1H8       A2G  13  22.451 -22.851   2.812
   68   2H8   A2G  13          2H8       A2G  13  23.496 -23.870   3.819
   69   3H8   A2G  13          3H8       A2G  13  21.888 -23.406   4.398
  Start of MODEL    8
    1   1H    ACE   0          1H        ACE   0   6.187 -10.935 -44.982
    2   2H    ACE   0          2H        ACE   0   5.505 -12.218 -45.986
    3   3H    ACE   0          3H        ACE   0   6.092 -12.585 -44.361
    4    H    SER   1           H        SER   1   5.094 -11.274 -42.627
    5    HA   SER   1           HA       SER   1   2.376 -10.378 -43.011
    6   1HB   SER   1          1HB       SER   1   1.320 -12.042 -41.634
    7   2HB   SER   1          2HB       SER   1   2.255 -12.907 -42.859
    8    H    THR   2           H        THR   2   1.432  -9.514 -41.034
    9    HA   THR   2           HA       THR   2   3.492  -8.477 -39.227
   10    HB   THR   2           HB       THR   2   1.446  -7.032 -38.467
   11   1HG2  THR   2          1HG2      THR   2   2.148  -5.356 -39.766
   12   2HG2  THR   2          2HG2      THR   2   3.435  -6.487 -40.181
   13   3HG2  THR   2          3HG2      THR   2   2.039  -6.307 -41.247
   14    H    THR   3           H        THR   3   1.991  -7.867 -37.022
   15    HA   THR   3           HA       THR   3   1.488 -10.502 -35.859
   16    HB   THR   3           HB       THR   3   1.679  -9.080 -33.702
   17   1HG2  THR   3          1HG2      THR   3   3.940  -9.522 -35.607
   18   2HG2  THR   3          2HG2      THR   3   4.205  -8.719 -34.058
   19   3HG2  THR   3          3HG2      THR   3   3.574 -10.368 -34.101
   20    H    ALA   4           H        ALA   4  -0.174 -10.277 -33.943
   21    HA   ALA   4           HA       ALA   4  -2.353  -8.464 -34.471
   22   1HB   ALA   4          1HB       ALA   4  -2.382 -11.033 -35.658
   23   2HB   ALA   4          2HB       ALA   4  -3.568 -11.051 -34.353
   24   3HB   ALA   4          3HB       ALA   4  -3.675  -9.836 -35.626
   25    H    VAL   5           H        VAL   5  -2.960  -7.772 -32.537
   26    HA   VAL   5           HA       VAL   5  -2.498  -9.429 -30.182
   27    HB   VAL   5           HB       VAL   5  -3.140  -7.379 -28.897
   28   1HG1  VAL   5          1HG1      VAL   5  -1.102  -6.105 -29.454
   29   2HG1  VAL   5          2HG1      VAL   5  -0.814  -7.841 -29.332
   30   3HG1  VAL   5          3HG1      VAL   5  -0.922  -7.073 -30.916
   31   1HG2  VAL   5          1HG2      VAL   5  -3.391  -5.259 -30.023
   32   2HG2  VAL   5          2HG2      VAL   5  -3.121  -6.013 -31.595
   33   3HG2  VAL   5          3HG2      VAL   5  -4.579  -6.386 -30.676
   34    H2   A2G   7           H2       A2G   7   3.211 -15.695 -39.234
   35    H4   A2G   7           H4       A2G   7   6.102 -15.622 -42.136
   36    H5   A2G   7           H5       A2G   7   4.488 -13.808 -42.492
   37    H1   A2G   7           H1       A2G   7   1.692 -14.352 -40.498
   38    H3   A2G   7           H3       A2G   7   5.751 -14.413 -40.196
   39    HO4  A2G   7           HO4      A2G   7   3.782 -17.329 -41.693
   40   1H6   A2G   7          1H6       A2G   7   3.484 -14.581 -44.649
   41   2H6   A2G   7          2H6       A2G   7   5.158 -15.044 -44.497
   42    HN2  A2G   7           HN2      A2G   7   4.088 -12.898 -38.996
   43   1H8   A2G   7          1H8       A2G   7   3.477 -12.108 -36.860
   44   2H8   A2G   7          2H8       A2G   7   3.586 -13.233 -35.494
   45   3H8   A2G   7          3H8       A2G   7   5.046 -12.796 -36.401
   46    H2   A2G  10           H2       A2G  10  -2.714  -7.762 -39.064
   47    H4   A2G  10           H4       A2G  10  -2.037  -6.843 -42.976
   48    H5   A2G  10           H5       A2G  10  -0.106  -6.285 -41.743
   49    H1   A2G  10           H1       A2G  10  -0.487  -6.981 -38.390
   50    H3   A2G  10           H3       A2G  10  -1.616  -8.733 -41.736
   51    HO4  A2G  10           HO4      A2G  10  -3.830  -5.843 -40.926
   52   1H6   A2G  10          1H6       A2G  10  -1.822  -3.765 -41.511
   53   2H6   A2G  10          2H6       A2G  10  -0.086  -3.856 -41.678
   54    HN2  A2G  10           HN2      A2G  10  -0.639  -9.768 -39.695
   55   1H8   A2G  10          1H8       A2G  10  -0.971 -11.735 -38.859
   56   2H8   A2G  10          2H8       A2G  10  -1.064 -11.366 -37.125
   57   3H8   A2G  10          3H8       A2G  10  -2.446 -12.114 -37.950
   58    H2   A2G  13           H2       A2G  13   0.848  -4.876 -33.321
   59    H4   A2G  13           H4       A2G  13   4.404  -4.323 -35.220
   60    H5   A2G  13           H5       A2G  13   4.303  -6.595 -34.591
   61    H1   A2G  13           H1       A2G  13   1.273  -7.278 -33.022
   62    H3   A2G  13           H3       A2G  13   2.332  -4.911 -35.979
   63    HO4  A2G  13           HO4      A2G  13   3.417  -3.562 -32.594
   64   1H6   A2G  13          1H6       A2G  13   5.890  -6.768 -32.844
   65   2H6   A2G  13          2H6       A2G  13   6.161  -5.152 -33.478
   66    HN2  A2G  13           HN2      A2G  13   0.314  -6.443 -35.769
   67   1H8   A2G  13          1H8       A2G  13  -1.654  -5.789 -36.804
   68   2H8   A2G  13          2H8       A2G  13  -2.478  -6.679 -35.510
   69   3H8   A2G  13          3H8       A2G  13  -2.916  -4.994 -35.845
  Start of MODEL    9
    1   1H    ACE   0          1H        ACE   0 -15.171  -5.485 -35.798
    2   2H    ACE   0          2H        ACE   0 -15.010  -6.483 -37.245
    3   3H    ACE   0          3H        ACE   0 -14.415  -4.820 -37.253
    4    H    SER   1           H        SER   1 -13.026  -4.460 -35.173
    5    HA   SER   1           HA       SER   1 -10.676  -6.091 -35.520
    6   1HB   SER   1          1HB       SER   1  -9.548  -4.459 -34.152
    7   2HB   SER   1          2HB       SER   1 -10.607  -3.588 -35.265
    8    H    THR   2           H        THR   2  -9.579  -7.228 -33.925
    9    HA   THR   2           HA       THR   2 -11.319  -8.321 -31.841
   10    HB   THR   2           HB       THR   2  -9.171  -9.896 -31.672
   11   1HG2  THR   2          1HG2      THR   2 -11.632 -10.256 -32.705
   12   2HG2  THR   2          2HG2      THR   2 -10.640 -10.464 -34.150
   13   3HG2  THR   2          3HG2      THR   2 -10.360 -11.477 -32.733
   14    H    THR   3           H        THR   3  -9.475  -9.262 -30.039
   15    HA   THR   3           HA       THR   3  -8.551  -6.793 -28.774
   16    HB   THR   3           HB       THR   3  -8.521  -8.361 -26.731
   17   1HG2  THR   3          1HG2      THR   3 -11.091  -8.514 -26.686
   18   2HG2  THR   3          2HG2      THR   3 -10.344  -6.917 -26.734
   19   3HG2  THR   3          3HG2      THR   3 -11.014  -7.625 -28.207
   20    H    ALA   4           H        ALA   4  -6.465  -6.763 -27.762
   21    HA   ALA   4           HA       ALA   4  -4.677  -8.969 -28.237
   22   1HB   ALA   4          1HB       ALA   4  -4.578  -6.488 -29.867
   23   2HB   ALA   4          2HB       ALA   4  -3.042  -7.181 -29.345
   24   3HB   ALA   4          3HB       ALA   4  -4.167  -8.146 -30.301
   25    H    VAL   5           H        VAL   5  -3.551  -9.157 -26.414
   26    HA   VAL   5           HA       VAL   5  -2.339  -6.808 -25.196
   27    HB   VAL   5           HB       VAL   5  -3.113  -7.704 -22.889
   28   1HG1  VAL   5          1HG1      VAL   5  -4.948  -6.198 -22.857
   29   2HG1  VAL   5          2HG1      VAL   5  -3.761  -5.547 -23.988
   30   3HG1  VAL   5          3HG1      VAL   5  -5.202  -6.366 -24.593
   31   1HG2  VAL   5          1HG2      VAL   5  -5.344  -8.793 -24.618
   32   2HG2  VAL   5          2HG2      VAL   5  -4.147  -9.773 -23.770
   33   3HG2  VAL   5          3HG2      VAL   5  -5.289  -8.788 -22.857
   34    H2   A2G   7           H2       A2G   7 -10.900  -1.306 -31.084
   35    H4   A2G   7           H4       A2G   7 -14.169  -0.921 -33.599
   36    H5   A2G   7           H5       A2G   7 -12.609  -2.456 -34.584
   37    H1   A2G   7           H1       A2G   7  -9.661  -2.509 -32.749
   38    H3   A2G   7           H3       A2G   7 -13.644  -2.297 -31.847
   39    HO4  A2G   7           HO4      A2G   7 -11.943   0.852 -32.973
   40   1H6   A2G   7          1H6       A2G   7 -12.517  -1.341 -36.567
   41   2H6   A2G   7          2H6       A2G   7 -13.135   0.063 -35.726
   42    HN2  A2G   7           HN2      A2G   7 -12.237  -3.950 -31.137
   43   1H8   A2G   7          1H8       A2G   7 -11.567  -5.415 -29.737
   44   2H8   A2G   7          2H8       A2G   7 -10.058  -5.195 -28.837
   45   3H8   A2G   7          3H8       A2G   7 -11.581  -4.580 -28.175
   46    H2   A2G  10           H2       A2G  10  -5.374  -9.138 -33.490
   47    H4   A2G  10           H4       A2G  10  -7.266  -9.941 -37.018
   48    H5   A2G  10           H5       A2G  10  -8.694 -10.577 -35.256
   49    H1   A2G  10           H1       A2G  10  -7.295  -9.943 -32.185
   50    H3   A2G  10           H3       A2G  10  -7.226  -8.082 -35.666
   51    HO4  A2G  10           HO4      A2G  10  -4.858 -10.915 -35.736
   52   1H6   A2G  10          1H6       A2G  10  -6.921 -13.014 -35.754
   53   2H6   A2G  10          2H6       A2G  10  -8.549 -13.049 -35.147
   54    HN2  A2G  10           HN2      A2G  10  -7.533  -7.123 -33.407
   55   1H8   A2G  10          1H8       A2G  10  -6.281  -5.590 -30.997
   56   2H8   A2G  10          2H8       A2G  10  -5.332  -4.807 -32.275
   57   3H8   A2G  10          3H8       A2G  10  -7.027  -5.235 -32.567
   58    H2   A2G  13           H2       A2G  13  -8.246 -12.665 -26.545
   59    H4   A2G  13           H4       A2G  13 -12.175 -12.703 -27.691
   60    H5   A2G  13           H5       A2G  13 -11.508 -10.427 -27.367
   61    H1   A2G  13           H1       A2G  13  -8.242 -10.270 -26.188
   62    H3   A2G  13           H3       A2G  13 -10.200 -12.510 -28.852
   63    HO4  A2G  13           HO4      A2G  13 -10.782 -13.434 -25.240
   64   1H6   A2G  13          1H6       A2G  13 -13.179  -9.994 -25.913
   65   2H6   A2G  13          2H6       A2G  13 -13.254 -11.698 -25.529
   66    HN2  A2G  13           HN2      A2G  13  -8.019 -11.204 -29.089
   67   1H8   A2G  13          1H8       A2G  13  -5.090 -11.649 -29.394
   68   2H8   A2G  13          2H8       A2G  13  -5.400 -13.282 -30.014
   69   3H8   A2G  13          3H8       A2G  13  -6.476 -11.946 -30.461
  Start of MODEL   10
    1   1H    ACE   0          1H        ACE   0  32.143 -20.931  18.709
    2   2H    ACE   0          2H        ACE   0  33.298 -21.381  17.451
    3   3H    ACE   0          3H        ACE   0  31.760 -22.239  17.586
    4    H    SER   1           H        SER   1  32.148 -21.475  15.228
    5    HA   SER   1           HA       SER   1  30.222 -19.374  14.747
    6   1HB   SER   1          1HB       SER   1  31.661 -17.990  13.387
    7   2HB   SER   1          2HB       SER   1  32.444 -18.196  14.958
    8    H    THR   2           H        THR   2  29.505 -19.292  12.549
    9    HA   THR   2           HA       THR   2  29.884 -21.837  11.152
   10    HB   THR   2           HB       THR   2  27.944 -20.863   9.733
   11   1HG2  THR   2          1HG2      THR   2  27.885 -22.547  11.802
   12   2HG2  THR   2          2HG2      THR   2  26.946 -21.220  12.489
   13   3HG2  THR   2          3HG2      THR   2  26.432 -21.977  10.983
   14    H    THR   3           H        THR   3  29.336 -21.252   8.585
   15    HA   THR   3           HA       THR   3  31.604 -19.563   7.813
   16    HB   THR   3           HB       THR   3  31.415 -20.923   5.662
   17   1HG2  THR   3          1HG2      THR   3  31.988 -23.132   7.094
   18   2HG2  THR   3          2HG2      THR   3  33.133 -21.821   6.806
   19   3HG2  THR   3          3HG2      THR   3  32.217 -21.884   8.315
   20    H    ALA   4           H        ALA   4  31.334 -18.464   5.652
   21    HA   ALA   4           HA       ALA   4  28.634 -17.844   4.883
   22   1HB   ALA   4          1HB       ALA   4  30.170 -16.057   6.624
   23   2HB   ALA   4          2HB       ALA   4  29.511 -15.272   5.188
   24   3HB   ALA   4          3HB       ALA   4  28.438 -16.117   6.303
   25    H    VAL   5           H        VAL   5  28.625 -17.714   2.762
   26    HA   VAL   5           HA       VAL   5  30.745 -16.311   1.347
   27    HB   VAL   5           HB       VAL   5  31.525 -18.653   1.461
   28   1HG1  VAL   5          1HG1      VAL   5  30.355 -20.470   0.606
   29   2HG1  VAL   5          2HG1      VAL   5  29.117 -19.554   1.460
   30   3HG1  VAL   5          3HG1      VAL   5  29.234 -19.455  -0.298
   31   1HG2  VAL   5          1HG2      VAL   5  31.768 -17.040  -0.584
   32   2HG2  VAL   5          2HG2      VAL   5  32.263 -18.725  -0.727
   33   3HG2  VAL   5          3HG2      VAL   5  30.712 -18.203  -1.384
   34    H2   A2G   7           H2       A2G   7  36.186 -18.441  12.139
   35    H4   A2G   7           H4       A2G   7  36.443 -20.568  15.634
   36    H5   A2G   7           H5       A2G   7  34.209 -19.683  15.449
   37    H1   A2G   7           H1       A2G   7  34.040 -17.520  12.701
   38    H3   A2G   7           H3       A2G   7  35.761 -21.101  13.496
   39    HO4  A2G   7           HO4      A2G   7  37.438 -17.954  14.842
   40   1H6   A2G   7          1H6       A2G   7  34.164 -18.195  17.304
   41   2H6   A2G   7          2H6       A2G   7  35.670 -19.066  17.538
   42    HN2  A2G   7           HN2      A2G   7  34.079 -20.450  11.664
   43   1H8   A2G   7          1H8       A2G   7  35.435 -21.424   8.814
   44   2H8   A2G   7          2H8       A2G   7  33.914 -21.224   9.704
   45   3H8   A2G   7          3H8       A2G   7  34.365 -20.059   8.445
   46    H2   A2G  10           H2       A2G  10  26.731 -16.756   9.327
   47    H4   A2G  10           H4       A2G  10  25.203 -17.157  13.094
   48    H5   A2G  10           H5       A2G  10  25.850 -19.288  12.333
   49    H1   A2G  10           H1       A2G  10  27.135 -19.173   9.140
   50    H3   A2G  10           H3       A2G  10  27.340 -16.817  12.306
   51    HO4  A2G  10           HO4      A2G  10  24.138 -16.278  10.551
   52   1H6   A2G  10          1H6       A2G  10  22.940 -18.733  11.632
   53   2H6   A2G  10          2H6       A2G  10  23.626 -20.334  11.528
   54    HN2  A2G  10           HN2      A2G  10  29.167 -17.572  10.782
   55   1H8   A2G  10          1H8       A2G  10  31.069 -16.577   8.497
   56   2H8   A2G  10          2H8       A2G  10  30.910 -15.047   9.380
   57   3H8   A2G  10          3H8       A2G  10  30.966 -16.580  10.268
   58    H2   A2G  13           H2       A2G  13  27.911 -22.870   4.010
   59    H4   A2G  13           H4       A2G  13  28.730 -25.857   6.684
   60    H5   A2G  13           H5       A2G  13  30.497 -24.265   6.803
   61    H1   A2G  13           H1       A2G  13  30.010 -21.735   4.469
   62    H3   A2G  13           H3       A2G  13  27.599 -23.875   6.844
   63    HO4  A2G  13           HO4      A2G  13  28.850 -25.700   3.779
   64   1H6   A2G  13          1H6       A2G  13  32.260 -25.633   6.174
   65   2H6   A2G  13          2H6       A2G  13  30.965 -26.773   5.914
   66    HN2  A2G  13           HN2      A2G  13  27.516 -21.572   6.627
   67   1H8   A2G  13          1H8       A2G  13  25.126 -19.646   5.281
   68   2H8   A2G  13          2H8       A2G  13  26.205 -19.913   6.663
   69   3H8   A2G  13          3H8       A2G  13  26.660 -18.764   5.391
  Start of MODEL   11
    1   1H    ACE   0          1H        ACE   0  18.041  49.177 -42.329
    2   2H    ACE   0          2H        ACE   0  16.623  48.726 -41.379
    3   3H    ACE   0          3H        ACE   0  17.805  47.497 -41.840
    4    H    SER   1           H        SER   1  17.350  47.350 -39.398
    5    HA   SER   1           HA       SER   1  18.890  49.145 -37.733
    6   1HB   SER   1          1HB       SER   1  18.231  47.575 -35.910
    7   2HB   SER   1          2HB       SER   1  16.844  48.137 -36.846
    8    H    THR   2           H        THR   2  20.802  48.663 -36.640
    9    HA   THR   2           HA       THR   2  22.406  46.557 -37.887
   10    HB   THR   2           HB       THR   2  24.285  47.784 -36.586
   11   1HG2  THR   2          1HG2      THR   2  23.023  49.635 -38.535
   12   2HG2  THR   2          2HG2      THR   2  24.717  49.193 -38.325
   13   3HG2  THR   2          3HG2      THR   2  23.599  48.059 -39.083
   14    H    THR   3           H        THR   3  24.300  46.209 -35.800
   15    HA   THR   3           HA       THR   3  22.740  44.530 -33.977
   16    HB   THR   3           HB       THR   3  25.085  43.560 -33.536
   17   1HG2  THR   3          1HG2      THR   3  25.036  42.117 -35.363
   18   2HG2  THR   3          2HG2      THR   3  23.351  42.593 -35.145
   19   3HG2  THR   3          3HG2      THR   3  24.321  43.336 -36.418
   20    H    ALA   4           H        ALA   4  23.890  44.244 -31.771
   21    HA   ALA   4           HA       ALA   4  25.229  46.590 -30.789
   22   1HB   ALA   4          1HB       ALA   4  22.767  45.849 -29.268
   23   2HB   ALA   4          2HB       ALA   4  23.596  47.402 -29.380
   24   3HB   ALA   4          3HB       ALA   4  22.597  46.836 -30.716
   25    H    VAL   5           H        VAL   5  24.358  45.820 -28.007
   26    HA   VAL   5           HA       VAL   5  26.285  43.664 -27.651
   27    HB   VAL   5           HB       VAL   5  24.885  45.295 -25.516
   28   1HG1  VAL   5          1HG1      VAL   5  26.860  44.575 -24.149
   29   2HG1  VAL   5          2HG1      VAL   5  25.748  43.279 -24.590
   30   3HG1  VAL   5          3HG1      VAL   5  27.276  43.464 -25.452
   31   1HG2  VAL   5          1HG2      VAL   5  26.133  46.835 -26.848
   32   2HG2  VAL   5          2HG2      VAL   5  27.088  46.517 -25.399
   33   3HG2  VAL   5          3HG2      VAL   5  27.516  45.744 -26.927
   34    H2   A2G   7           H2       A2G   7  16.769  43.495 -35.407
   35    H4   A2G   7           H4       A2G   7  14.441  43.900 -38.756
   36    H5   A2G   7           H5       A2G   7  15.453  46.039 -38.253
   37    H1   A2G   7           H1       A2G   7  17.101  45.870 -35.187
   38    H3   A2G   7           H3       A2G   7  16.675  43.464 -38.422
   39    HO4  A2G   7           HO4      A2G   7  13.830  43.651 -35.930
   40   1H6   A2G   7          1H6       A2G   7  13.152  46.739 -36.634
   41   2H6   A2G   7          2H6       A2G   7  13.444  47.095 -38.325
   42    HN2  A2G   7           HN2      A2G   7  18.807  44.384 -37.342
   43   1H8   A2G   7          1H8       A2G   7  21.164  43.034 -35.565
   44   2H8   A2G   7          2H8       A2G   7  20.737  41.781 -36.743
   45   3H8   A2G   7          3H8       A2G   7  20.707  43.489 -37.217
   46    H2   A2G  10           H2       A2G  10  23.903  50.179 -33.050
   47    H4   A2G  10           H4       A2G  10  22.858  53.140 -35.649
   48    H5   A2G  10           H5       A2G  10  23.567  51.284 -36.930
   49    H1   A2G  10           H1       A2G  10  24.507  48.665 -34.866
   50    H3   A2G  10           H3       A2G  10  21.664  51.430 -34.687
   51    HO4  A2G  10           HO4      A2G  10  25.038  52.781 -33.760
   52   1H6   A2G  10          1H6       A2G  10  25.100  53.534 -36.909
   53   2H6   A2G  10          2H6       A2G  10  26.335  52.351 -36.484
   54    HN2  A2G  10           HN2      A2G  10  21.478  48.996 -34.260
   55   1H8   A2G  10          1H8       A2G  10  20.280  47.796 -32.977
   56   2H8   A2G  10          2H8       A2G  10  21.365  46.658 -32.151
   57   3H8   A2G  10          3H8       A2G  10  20.498  47.898 -31.219
   58    H2   A2G  13           H2       A2G  13  28.770  45.900 -33.955
   59    H4   A2G  13           H4       A2G  13  28.522  44.671 -37.792
   60    H5   A2G  13           H5       A2G  13  26.894  43.458 -36.572
   61    H1   A2G  13           H1       A2G  13  26.864  44.481 -33.254
   62    H3   A2G  13           H3       A2G  13  27.454  46.333 -36.656
   63    HO4  A2G  13           HO4      A2G  13  30.454  44.208 -35.679
   64   1H6   A2G  13          1H6       A2G  13  28.834  41.485 -35.687
   65   2H6   A2G  13          2H6       A2G  13  27.736  41.417 -37.053
   66    HN2  A2G  13           HN2      A2G  13  26.275  47.244 -34.784
   67   1H8   A2G  13          1H8       A2G  13  26.253  49.422 -33.927
   68   2H8   A2G  13          2H8       A2G  13  25.696  48.707 -32.406
   69   3H8   A2G  13          3H8       A2G  13  27.108  49.771 -32.418
  Start of MODEL   12
    1   1H    ACE   0          1H        ACE   0  18.239  33.232 -12.356
    2   2H    ACE   0          2H        ACE   0  16.605  33.860 -12.600
    3   3H    ACE   0          3H        ACE   0  16.885  32.552 -11.447
    4    H    SER   1           H        SER   1  18.782  33.163  -9.923
    5    HA   SER   1           HA       SER   1  17.843  35.410  -8.373
    6   1HB   SER   1          1HB       SER   1  19.448  34.626  -6.683
    7   2HB   SER   1          2HB       SER   1  18.466  33.290  -7.286
    8    H    THR   2           H        THR   2  19.742  36.667  -7.184
    9    HA   THR   2           HA       THR   2  21.228  37.997  -9.324
   10    HB   THR   2           HB       THR   2  21.693  39.714  -7.546
   11   1HG2  THR   2          1HG2      THR   2  19.130  39.149  -8.764
   12   2HG2  THR   2          2HG2      THR   2  18.987  40.061  -7.259
   13   3HG2  THR   2          3HG2      THR   2  19.995  40.674  -8.576
   14    H    THR   3           H        THR   3  23.337  39.061  -8.397
   15    HA   THR   3           HA       THR   3  24.984  36.845  -7.371
   16    HB   THR   3           HB       THR   3  26.863  38.116  -8.447
   17   1HG2  THR   3          1HG2      THR   3  24.552  37.497 -10.268
   18   2HG2  THR   3          2HG2      THR   3  26.242  37.661 -10.757
   19   3HG2  THR   3          3HG2      THR   3  25.755  36.337  -9.699
   20    H    ALA   4           H        ALA   4  27.159  38.004  -6.436
   21    HA   ALA   4           HA       ALA   4  26.567  40.269  -4.754
   22   1HB   ALA   4          1HB       ALA   4  25.901  39.115  -2.967
   23   2HB   ALA   4          2HB       ALA   4  26.275  37.577  -3.746
   24   3HB   ALA   4          3HB       ALA   4  27.529  38.449  -2.863
   25    H    VAL   5           H        VAL   5  28.322  41.476  -4.831
   26    HA   VAL   5           HA       VAL   5  30.906  40.257  -5.405
   27    HB   VAL   5           HB       VAL   5  30.192  42.231  -6.711
   28   1HG1  VAL   5          1HG1      VAL   5  30.576  43.884  -4.228
   29   2HG1  VAL   5          2HG1      VAL   5  29.947  44.390  -5.795
   30   3HG1  VAL   5          3HG1      VAL   5  28.995  43.323  -4.764
   31   1HG2  VAL   5          1HG2      VAL   5  32.603  41.685  -6.276
   32   2HG2  VAL   5          2HG2      VAL   5  32.292  43.379  -6.659
   33   3HG2  VAL   5          3HG2      VAL   5  32.582  42.890  -4.989
   34    H2   A2G   7           H2       A2G   7  23.214  32.134  -6.666
   35    H4   A2G   7           H4       A2G   7  20.549  29.178  -7.679
   36    H5   A2G   7           H5       A2G   7  19.389  31.306  -7.608
   37    H1   A2G   7           H1       A2G   7  21.489  33.744  -6.254
   38    H3   A2G   7           H3       A2G   7  21.794  30.688  -8.904
   39    HO4  A2G   7           HO4      A2G   7  21.903  29.915  -5.209
   40   1H6   A2G   7          1H6       A2G   7  18.913  29.232  -5.706
   41   2H6   A2G   7          2H6       A2G   7  18.764  30.741  -4.816
   42    HN2  A2G   7           HN2      A2G   7  22.254  33.179  -9.248
   43   1H8   A2G   7          1H8       A2G   7  24.307  33.355 -10.773
   44   2H8   A2G   7          2H8       A2G   7  24.006  34.875  -9.913
   45   3H8   A2G   7          3H8       A2G   7  25.628  34.156  -9.904
   46    H2   A2G  10           H2       A2G  10  22.177  39.417  -3.328
   47    H4   A2G  10           H4       A2G  10  18.135  38.895  -3.100
   48    H5   A2G  10           H5       A2G  10  18.646  39.537  -5.307
   49    H1   A2G  10           H1       A2G  10  22.062  40.073  -5.673
   50    H3   A2G  10           H3       A2G  10  19.866  37.484  -3.622
   51    HO4  A2G  10           HO4      A2G  10  19.997  40.770  -1.911
   52   1H6   A2G  10          1H6       A2G  10  17.053  41.068  -3.982
   53   2H6   A2G  10          2H6       A2G  10  18.364  42.219  -3.886
   54    HN2  A2G  10           HN2      A2G  10  21.805  37.049  -5.052
   55   1H8   A2G  10          1H8       A2G  10  24.485  36.237  -5.260
   56   2H8   A2G  10          2H8       A2G  10  24.717  35.679  -3.594
   57   3H8   A2G  10          3H8       A2G  10  23.207  35.314  -4.450
   58    H2   A2G  13           H2       A2G  13  27.014  42.520  -8.653
   59    H4   A2G  13           H4       A2G  13  25.388  41.613 -12.272
   60    H5   A2G  13           H5       A2G  13  26.067  39.591 -11.314
   61    H1   A2G  13           H1       A2G  13  27.299  40.138  -8.121
   62    H3   A2G  13           H3       A2G  13  24.489  41.923 -10.227
   63    HO4  A2G  13           HO4      A2G  13  27.841  42.949 -11.491
   64   1H6   A2G  13          1H6       A2G  13  28.850  40.140 -12.190
   65   2H6   A2G  13          2H6       A2G  13  27.738  38.914 -12.720
   66    HN2  A2G  13           HN2      A2G  13  24.341  41.498  -7.936
   67   1H8   A2G  13          1H8       A2G  13  24.881  42.089  -4.677
   68   2H8   A2G  13          2H8       A2G  13  24.142  43.494  -5.463
   69   3H8   A2G  13          3H8       A2G  13  23.678  41.856  -5.957
  Start of MODEL   13
    1   1H    ACE   0          1H        ACE   0  -1.401   7.474 -15.469
    2   2H    ACE   0          2H        ACE   0  -2.766   7.198 -16.554
    3   3H    ACE   0          3H        ACE   0  -3.041   7.860 -14.940
    4    H    SER   1           H        SER   1  -4.190   9.242 -16.685
    5    HA   SER   1           HA       SER   1  -2.548  11.266 -17.917
    6   1HB   SER   1          1HB       SER   1  -4.607  12.183 -18.771
    7   2HB   SER   1          2HB       SER   1  -4.690  10.428 -18.921
    8    H    THR   2           H        THR   2  -3.530  13.634 -17.607
    9    HA   THR   2           HA       THR   2  -3.138  14.229 -14.772
   10    HB   THR   2           HB       THR   2  -3.009  16.634 -15.732
   11   1HG2  THR   2          1HG2      THR   2  -1.068  14.657 -15.415
   12   2HG2  THR   2          2HG2      THR   2  -0.756  15.381 -16.994
   13   3HG2  THR   2          3HG2      THR   2  -0.816  16.397 -15.552
   14    H    THR   3           H        THR   3  -4.309  16.642 -14.456
   15    HA   THR   3           HA       THR   3  -7.165  15.992 -14.597
   16    HB   THR   3           HB       THR   3  -7.277  17.755 -12.758
   17   1HG2  THR   3          1HG2      THR   3  -5.469  15.420 -12.187
   18   2HG2  THR   3          2HG2      THR   3  -6.409  16.339 -11.009
   19   3HG2  THR   3          3HG2      THR   3  -7.234  15.351 -12.217
   20    H    ALA   4           H        ALA   4  -8.522  18.096 -14.511
   21    HA   ALA   4           HA       ALA   4  -7.465  20.304 -16.030
   22   1HB   ALA   4          1HB       ALA   4  -8.224  19.702 -18.042
   23   2HB   ALA   4          2HB       ALA   4  -8.840  18.192 -17.369
   24   3HB   ALA   4          3HB       ALA   4  -9.863  19.629 -17.400
   25    H    VAL   5           H        VAL   5  -8.184  21.994 -14.905
   26    HA   VAL   5           HA       VAL   5 -11.015  22.201 -14.245
   27    HB   VAL   5           HB       VAL   5 -10.266  23.095 -11.906
   28   1HG1  VAL   5          1HG1      VAL   5 -11.671  21.074 -12.437
   29   2HG1  VAL   5          2HG1      VAL   5 -10.192  20.118 -12.333
   30   3HG1  VAL   5          3HG1      VAL   5 -10.773  21.004 -10.922
   31   1HG2  VAL   5          1HG2      VAL   5  -8.329  21.975 -10.958
   32   2HG2  VAL   5          2HG2      VAL   5  -8.020  21.153 -12.487
   33   3HG2  VAL   5          3HG2      VAL   5  -7.838  22.904 -12.373
   34    H2   A2G   7           H2       A2G   7  -9.095  11.799 -17.686
   35    H4   A2G   7           H4       A2G   7  -8.187   7.783 -17.648
   36    H5   A2G   7           H5       A2G   7  -6.165   9.076 -18.036
   37    H1   A2G   7           H1       A2G   7  -7.008  12.396 -18.680
   38    H3   A2G   7           H3       A2G   7  -8.153   9.459 -16.075
   39    HO4  A2G   7           HO4      A2G   7  -9.472   9.466 -19.643
   40   1H6   A2G   7          1H6       A2G   7  -5.912   8.651 -20.633
   41   2H6   A2G   7          2H6       A2G   7  -6.089   7.283 -19.551
   42    HN2  A2G   7           HN2      A2G   7  -7.027  11.692 -15.595
   43   1H8   A2G   7          1H8       A2G   7  -7.297  12.985 -13.938
   44   2H8   A2G   7          2H8       A2G   7  -8.407  14.354 -14.132
   45   3H8   A2G   7          3H8       A2G   7  -8.952  12.883 -13.307
   46    H2   A2G  10           H2       A2G  10  -4.621  18.129 -19.399
   47    H4   A2G  10           H4       A2G  10  -1.605  16.067 -21.202
   48    H5   A2G  10           H5       A2G  10  -1.176  16.075 -18.881
   49    H1   A2G  10           H1       A2G  10  -3.669  17.751 -17.177
   50    H3   A2G  10           H3       A2G  10  -3.652  15.447 -20.403
   51    HO4  A2G  10           HO4      A2G  10  -2.323  18.872 -21.152
   52   1H6   A2G  10          1H6       A2G  10   0.089  18.746 -19.262
   53   2H6   A2G  10          2H6       A2G  10   0.796  17.222 -18.770
   54    HN2  A2G  10           HN2      A2G  10  -5.164  15.317 -18.665
   55   1H8   A2G  10          1H8       A2G  10  -7.179  14.817 -18.253
   56   2H8   A2G  10          2H8       A2G  10  -8.000  16.063 -17.289
   57   3H8   A2G  10          3H8       A2G  10  -8.422  15.841 -18.999
   58    H2   A2G  13           H2       A2G  13  -4.614  21.132 -12.183
   59    H4   A2G  13           H4       A2G  13  -2.356  18.347 -10.160
   60    H5   A2G  13           H5       A2G  13  -4.394  17.339 -10.796
   61    H1   A2G  13           H1       A2G  13  -6.447  19.564 -12.433
   62    H3   A2G  13           H3       A2G  13  -2.461  19.014 -12.344
   63    HO4  A2G  13           HO4      A2G  13  -3.668  20.802  -9.339
   64   1H6   A2G  13          1H6       A2G  13  -3.887  17.538  -8.214
   65   2H6   A2G  13          2H6       A2G  13  -5.316  18.568  -8.187
   66    HN2  A2G  13           HN2      A2G  13  -4.072  19.167 -14.313
   67   1H8   A2G  13          1H8       A2G  13  -3.565  19.935 -16.230
   68   2H8   A2G  13          2H8       A2G  13  -4.780  21.176 -16.591
   69   3H8   A2G  13          3H8       A2G  13  -3.073  21.629 -16.419
  Start of MODEL   14
    1   1H    ACE   0          1H        ACE   0 -24.618  67.597 -68.527
    2   2H    ACE   0          2H        ACE   0 -25.539  68.981 -69.122
    3   3H    ACE   0          3H        ACE   0 -25.732  67.399 -69.883
    4    H    SER   1           H        SER   1 -26.255  65.646 -68.265
    5    HA   SER   1           HA       SER   1 -28.747  66.361 -66.985
    6   1HB   SER   1          1HB       SER   1 -28.849  63.883 -66.513
    7   2HB   SER   1          2HB       SER   1 -28.678  64.286 -68.224
    8    H    THR   2           H        THR   2 -29.270  65.641 -64.765
    9    HA   THR   2           HA       THR   2 -27.032  66.240 -62.972
   10    HB   THR   2           HB       THR   2 -28.982  66.283 -61.268
   11   1HG2  THR   2          1HG2      THR   2 -29.886  68.468 -62.611
   12   2HG2  THR   2          2HG2      THR   2 -28.468  68.439 -61.562
   13   3HG2  THR   2          3HG2      THR   2 -28.278  68.259 -63.306
   14    H    THR   3           H        THR   3 -27.901  64.986 -60.624
   15    HA   THR   3           HA       THR   3 -27.328  62.190 -61.280
   16    HB   THR   3           HB       THR   3 -26.853  62.105 -58.757
   17   1HG2  THR   3          1HG2      THR   3 -25.019  62.212 -60.315
   18   2HG2  THR   3          2HG2      THR   3 -25.238  63.956 -60.482
   19   3HG2  THR   3          3HG2      THR   3 -24.701  63.278 -58.945
   20    H    ALA   4           H        ALA   4 -28.614  60.505 -60.561
   21    HA   ALA   4           HA       ALA   4 -31.331  61.248 -59.960
   22   1HB   ALA   4          1HB       ALA   4 -31.914  59.035 -60.528
   23   2HB   ALA   4          2HB       ALA   4 -30.598  59.447 -61.627
   24   3HB   ALA   4          3HB       ALA   4 -30.286  58.435 -60.216
   25    H    VAL   5           H        VAL   5 -31.581  58.536 -58.551
   26    HA   VAL   5           HA       VAL   5 -30.332  59.095 -55.979
   27    HB   VAL   5           HB       VAL   5 -33.340  58.806 -56.228
   28   1HG1  VAL   5          1HG1      VAL   5 -33.276  59.411 -53.794
   29   2HG1  VAL   5          2HG1      VAL   5 -32.616  57.824 -54.186
   30   3HG1  VAL   5          3HG1      VAL   5 -31.531  59.173 -53.847
   31   1HG2  VAL   5          1HG2      VAL   5 -32.724  61.004 -56.980
   32   2HG2  VAL   5          2HG2      VAL   5 -33.373  61.150 -55.346
   33   3HG2  VAL   5          3HG2      VAL   5 -31.631  61.221 -55.614
   34    H2   A2G   7           H2       A2G   7 -26.029  60.636 -66.104
   35    H4   A2G   7           H4       A2G   7 -24.765  61.377 -69.967
   36    H5   A2G   7           H5       A2G   7 -26.535  62.911 -69.392
   37    H1   A2G   7           H1       A2G   7 -27.971  62.015 -66.365
   38    H3   A2G   7           H3       A2G   7 -24.176  62.189 -67.900
   39    HO4  A2G   7           HO4      A2G   7 -26.283  59.213 -68.752
   40   1H6   A2G   7          1H6       A2G   7 -26.800  61.028 -71.416
   41   2H6   A2G   7          2H6       A2G   7 -28.311  60.819 -70.542
   42    HN2  A2G   7           HN2      A2G   7 -24.859  63.345 -66.031
   43   1H8   A2G   7          1H8       A2G   7 -23.708  63.560 -63.904
   44   2H8   A2G   7          2H8       A2G   7 -25.314  64.198 -63.518
   45   3H8   A2G   7          3H8       A2G   7 -24.591  62.946 -62.494
   46    H2   A2G  10           H2       A2G  10 -32.528  63.915 -61.779
   47    H4   A2G  10           H4       A2G  10 -33.992  67.249 -63.606
   48    H5   A2G  10           H5       A2G  10 -31.850  67.785 -62.784
   49    H1   A2G  10           H1       A2G  10 -30.500  65.064 -61.092
   50    H3   A2G  10           H3       A2G  10 -32.714  65.486 -64.361
   51    HO4  A2G  10           HO4      A2G  10 -34.648  65.830 -61.154
   52   1H6   A2G  10          1H6       A2G  10 -34.159  68.812 -61.521
   53   2H6   A2G  10          2H6       A2G  10 -33.071  68.459 -60.189
   54    HN2  A2G  10           HN2      A2G  10 -30.743  64.143 -64.125
   55   1H8   A2G  10          1H8       A2G  10 -30.892  60.939 -64.676
   56   2H8   A2G  10          2H8       A2G  10 -29.860  62.373 -64.828
   57   3H8   A2G  10          3H8       A2G  10 -29.505  61.152 -63.592
   58    H2   A2G  13           H2       A2G  13 -28.960  64.866 -55.978
   59    H4   A2G  13           H4       A2G  13 -25.557  66.911 -56.521
   60    H5   A2G  13           H5       A2G  13 -25.247  64.802 -57.489
   61    H1   A2G  13           H1       A2G  13 -28.183  62.943 -57.343
   62    H3   A2G  13           H3       A2G  13 -27.348  66.647 -57.820
   63    HO4  A2G  13           HO4      A2G  13 -26.908  65.784 -54.208
   64   1H6   A2G  13          1H6       A2G  13 -24.070  65.230 -54.945
   65   2H6   A2G  13          2H6       A2G  13 -24.619  63.569 -54.927
   66    HN2  A2G  13           HN2      A2G  13 -29.287  65.640 -58.787
   67   1H8   A2G  13          1H8       A2G  13 -32.818  65.160 -58.207
   68   2H8   A2G  13          2H8       A2G  13 -31.739  66.394 -58.877
   69   3H8   A2G  13          3H8       A2G  13 -31.644  64.722 -59.458
  Start of MODEL   15
    1   1H    ACE   0          1H        ACE   0  34.281   3.564  16.139
    2   2H    ACE   0          2H        ACE   0  33.790   2.322  14.984
    3   3H    ACE   0          3H        ACE   0  35.454   2.371  15.573
    4    H    SER   1           H        SER   1  35.238   0.230  16.168
    5    HA   SER   1           HA       SER   1  33.360  -0.559  18.220
    6   1HB   SER   1          1HB       SER   1  34.544  -2.735  18.104
    7   2HB   SER   1          2HB       SER   1  34.063  -2.169  16.503
    8    H    THR   2           H        THR   2  33.928  -1.265  20.342
    9    HA   THR   2           HA       THR   2  36.219   0.195  21.437
   10    HB   THR   2           HB       THR   2  35.099  -0.472  23.649
   11   1HG2  THR   2          1HG2      THR   2  34.435   1.593  21.811
   12   2HG2  THR   2          2HG2      THR   2  32.965   1.051  22.622
   13   3HG2  THR   2          3HG2      THR   2  34.347   1.600  23.572
   14    H    THR   3           H        THR   3  36.729  -1.212  23.748
   15    HA   THR   3           HA       THR   3  38.039  -3.613  22.694
   16    HB   THR   3           HB       THR   3  39.352  -3.359  24.883
   17   1HG2  THR   3          1HG2      THR   3  39.513  -0.996  23.030
   18   2HG2  THR   3          2HG2      THR   3  40.793  -1.642  24.061
   19   3HG2  THR   3          3HG2      THR   3  40.216  -2.577  22.682
   20    H    ALA   4           H        ALA   4  37.847  -5.602  23.736
   21    HA   ALA   4           HA       ALA   4  35.429  -5.914  25.271
   22   1HB   ALA   4          1HB       ALA   4  35.580  -8.209  24.789
   23   2HB   ALA   4          2HB       ALA   4  36.224  -7.425  23.347
   24   3HB   ALA   4          3HB       ALA   4  37.322  -8.132  24.532
   25    H    VAL   5           H        VAL   5  36.742  -8.386  26.517
   26    HA   VAL   5           HA       VAL   5  38.474  -7.190  28.525
   27    HB   VAL   5           HB       VAL   5  37.034  -8.327  30.348
   28   1HG1  VAL   5          1HG1      VAL   5  35.862  -5.864  29.076
   29   2HG1  VAL   5          2HG1      VAL   5  35.864  -6.311  30.782
   30   3HG1  VAL   5          3HG1      VAL   5  37.373  -5.865  29.984
   31   1HG2  VAL   5          1HG2      VAL   5  34.916  -7.945  28.221
   32   2HG2  VAL   5          2HG2      VAL   5  35.519  -9.501  28.793
   33   3HG2  VAL   5          3HG2      VAL   5  34.641  -8.436  29.891
   34    H2   A2G   7           H2       A2G   7  38.383  -4.379  16.717
   35    H4   A2G   7           H4       A2G   7  38.275  -1.986  13.420
   36    H5   A2G   7           H5       A2G   7  36.225  -1.663  14.708
   37    H1   A2G   7           H1       A2G   7  36.055  -4.058  17.235
   38    H3   A2G   7           H3       A2G   7  38.822  -1.598  15.626
   39    HO4  A2G   7           HO4      A2G   7  37.889  -4.836  13.805
   40   1H6   A2G   7          1H6       A2G   7  34.832  -3.572  13.143
   41   2H6   A2G   7          2H6       A2G   7  35.113  -1.889  12.735
   42    HN2  A2G   7           HN2      A2G   7  38.039  -1.775  18.051
   43   1H8   A2G   7          1H8       A2G   7  38.814  -1.826  20.165
   44   2H8   A2G   7          2H8       A2G   7  40.045  -3.006  20.652
   45   3H8   A2G   7          3H8       A2G   7  40.483  -1.657  19.588
   46    H2   A2G  10           H2       A2G  10  32.550  -3.778  24.559
   47    H4   A2G  10           H4       A2G  10  29.530  -1.667  22.810
   48    H5   A2G  10           H5       A2G  10  31.463  -0.275  22.856
   49    H1   A2G  10           H1       A2G  10  34.071  -1.882  24.505
   50    H3   A2G  10           H3       A2G  10  31.213  -2.984  21.956
   51    HO4  A2G  10           HO4      A2G  10  30.084  -2.572  25.523
   52   1H6   A2G  10          1H6       A2G  10  29.302   0.185  24.723
   53   2H6   A2G  10          2H6       A2G  10  30.796   0.763  25.448
   54    HN2  A2G  10           HN2      A2G  10  33.652  -3.447  21.840
   55   1H8   A2G  10          1H8       A2G  10  34.741  -6.808  22.022
   56   2H8   A2G  10          2H8       A2G  10  34.296  -5.482  20.933
   57   3H8   A2G  10          3H8       A2G  10  35.720  -5.330  21.979
   58    H2   A2G  13           H2       A2G  13  38.180  -1.341  28.561
   59    H4   A2G  13           H4       A2G  13  39.564   1.964  26.534
   60    H5   A2G  13           H5       A2G  13  39.882   0.060  25.170
   61    H1   A2G  13           H1       A2G  13  38.937  -2.825  26.810
   62    H3   A2G  13           H3       A2G  13  37.524   0.961  26.742
   63    HO4  A2G  13           HO4      A2G  13  40.549   0.531  28.867
   64   1H6   A2G  13          1H6       A2G  13  42.097   1.349  26.275
   65   2H6   A2G  13          2H6       A2G  13  42.498  -0.349  26.462
   66    HN2  A2G  13           HN2      A2G  13  36.354  -1.234  26.249
   67   1H8   A2G  13          1H8       A2G  13  34.286  -2.906  27.326
   68   2H8   A2G  13          2H8       A2G  13  33.648  -1.691  28.449
   69   3H8   A2G  13          3H8       A2G  13  34.156  -1.211  26.820
  Start of MODEL   16
    1   1H    ACE   0          1H        ACE   0  16.788   7.694 -15.399
    2   2H    ACE   0          2H        ACE   0  18.088   7.506 -16.580
    3   3H    ACE   0          3H        ACE   0  16.835   6.269 -16.441
    4    H    SER   1           H        SER   1  14.576   7.422 -16.440
    5    HA   SER   1           HA       SER   1  14.273   8.500 -19.096
    6   1HB   SER   1          1HB       SER   1  11.814   8.413 -18.521
    7   2HB   SER   1          2HB       SER   1  12.655   6.865 -18.401
    8    H    THR   2           H        THR   2  13.029  10.424 -19.588
    9    HA   THR   2           HA       THR   2  13.667  12.581 -17.716
   10    HB   THR   2           HB       THR   2  13.004  14.025 -19.722
   11   1HG2  THR   2          1HG2      THR   2  15.384  13.089 -19.093
   12   2HG2  THR   2          2HG2      THR   2  15.178  12.244 -20.628
   13   3HG2  THR   2          3HG2      THR   2  15.091  14.004 -20.570
   14    H    THR   3           H        THR   3  11.733  14.488 -18.541
   15    HA   THR   3           HA       THR   3   9.379  13.376 -17.181
   16    HB   THR   3           HB       THR   3   8.780  15.844 -16.991
   17   1HG2  THR   3          1HG2      THR   3  10.125  16.254 -15.142
   18   2HG2  THR   3          2HG2      THR   3  10.058  14.493 -15.222
   19   3HG2  THR   3          3HG2      THR   3  11.483  15.351 -15.813
   20    H    ALA   4           H        ALA   4   7.265  14.537 -17.886
   21    HA   ALA   4           HA       ALA   4   7.127  15.106 -20.704
   22   1HB   ALA   4          1HB       ALA   4   6.023  13.239 -21.396
   23   2HB   ALA   4          2HB       ALA   4   6.849  12.506 -20.022
   24   3HB   ALA   4          3HB       ALA   4   5.179  13.041 -19.861
   25    H    VAL   5           H        VAL   5   4.196  14.512 -20.633
   26    HA   VAL   5           HA       VAL   5   3.375  16.981 -19.330
   27    HB   VAL   5           HB       VAL   5   1.790  15.154 -21.153
   28   1HG1  VAL   5          1HG1      VAL   5   1.219  17.910 -20.079
   29   2HG1  VAL   5          2HG1      VAL   5   0.331  17.166 -21.409
   30   3HG1  VAL   5          3HG1      VAL   5   0.294  16.436 -19.804
   31   1HG2  VAL   5          1HG2      VAL   5   2.180  16.990 -22.830
   32   2HG2  VAL   5          2HG2      VAL   5   3.365  17.669 -21.714
   33   3HG2  VAL   5          3HG2      VAL   5   3.617  16.064 -22.402
   34    H2   A2G   7           H2       A2G   7   9.313   7.629 -14.992
   35    H4   A2G   7           H4       A2G   7  12.140   4.971 -13.616
   36    H5   A2G   7           H5       A2G   7  12.794   5.764 -15.798
   37    H1   A2G   7           H1       A2G   7  10.221   7.631 -17.215
   38    H3   A2G   7           H3       A2G   7  11.900   7.248 -13.516
   39    HO4  A2G   7           HO4      A2G   7   9.454   4.589 -14.655
   40   1H6   A2G   7          1H6       A2G   7  12.742   3.744 -17.045
   41   2H6   A2G   7          2H6       A2G   7  12.566   3.208 -15.390
   42    HN2  A2G   7           HN2      A2G   7  11.784   9.232 -14.720
   43   1H8   A2G   7          1H8       A2G   7  10.228  12.032 -15.426
   44   2H8   A2G   7          2H8       A2G   7  10.073  11.811 -13.676
   45   3H8   A2G   7          3H8       A2G   7  11.560  11.313 -14.503
   46    H2   A2G  10           H2       A2G  10  10.067  13.009 -22.693
   47    H4   A2G  10           H4       A2G  10  13.188  11.255 -24.564
   48    H5   A2G  10           H5       A2G  10  14.095  12.489 -22.768
   49    H1   A2G  10           H1       A2G  10  11.509  13.984 -20.955
   50    H3   A2G  10           H3       A2G  10  11.853  10.556 -22.837
   51    HO4  A2G  10           HO4      A2G  10  11.445  13.487 -25.223
   52   1H6   A2G  10          1H6       A2G  10  15.201  14.275 -23.850
   53   2H6   A2G  10          2H6       A2G  10  14.683  13.292 -25.204
   54    HN2  A2G  10           HN2      A2G  10  10.789  11.087 -20.576
   55   1H8   A2G  10          1H8       A2G  10   8.216  11.372 -19.089
   56   2H8   A2G  10          2H8       A2G  10   7.414  10.295 -20.253
   57   3H8   A2G  10          3H8       A2G  10   9.079   9.961 -19.740
   58    H2   A2G  13           H2       A2G  13   9.857  19.007 -19.778
   59    H4   A2G  13           H4       A2G  13  13.141  19.275 -17.349
   60    H5   A2G  13           H5       A2G  13  11.690  17.636 -16.461
   61    H1   A2G  13           H1       A2G  13   8.806  17.375 -18.318
   62    H3   A2G  13           H3       A2G  13  12.646  18.045 -19.190
   63    HO4  A2G  13           HO4      A2G  13  10.925  21.070 -17.924
   64   1H6   A2G  13          1H6       A2G  13  11.682  20.274 -15.175
   65   2H6   A2G  13          2H6       A2G  13  10.227  19.383 -14.812
   66    HN2  A2G  13           HN2      A2G  13  11.375  16.539 -20.289
   67   1H8   A2G  13          1H8       A2G  13  10.842  15.450 -22.047
   68   2H8   A2G  13          2H8       A2G  13   9.219  15.629 -22.720
   69   3H8   A2G  13          3H8       A2G  13  10.562  16.584 -23.373
  Start of MODEL   17
    1   1H    ACE   0          1H        ACE   0   8.490   3.120 -16.346
    2   2H    ACE   0          2H        ACE   0   7.136   2.800 -15.259
    3   3H    ACE   0          3H        ACE   0   8.780   2.384 -14.767
    4    H    SER   1           H        SER   1  10.209   4.493 -15.431
    5    HA   SER   1           HA       SER   1   9.461   6.444 -13.435
    6   1HB   SER   1          1HB       SER   1  11.673   7.371 -13.787
    7   2HB   SER   1          2HB       SER   1  11.815   5.611 -13.747
    8    H    THR   2           H        THR   2   9.526   8.776 -13.858
    9    HA   THR   2           HA       THR   2   8.211   9.410 -16.396
   10    HB   THR   2           HB       THR   2   7.848  11.667 -15.133
   11   1HG2  THR   2          1HG2      THR   2   6.212   9.616 -15.460
   12   2HG2  THR   2          2HG2      THR   2   6.407   9.517 -13.709
   13   3HG2  THR   2          3HG2      THR   2   5.802  11.001 -14.447
   14    H    THR   3           H        THR   3   8.762  12.137 -16.556
   15    HA   THR   3           HA       THR   3  11.557  12.099 -17.410
   16    HB   THR   3           HB       THR   3  10.748  14.222 -18.644
   17   1HG2  THR   3          1HG2      THR   3  11.037  12.026 -19.766
   18   2HG2  THR   3          2HG2      THR   3   9.356  11.658 -19.369
   19   3HG2  THR   3          3HG2      THR   3   9.734  13.005 -20.444
   20    H    ALA   4           H        ALA   4  13.006  13.666 -16.727
   21    HA   ALA   4           HA       ALA   4  12.311  14.974 -14.254
   22   1HB   ALA   4          1HB       ALA   4  14.977  15.157 -15.636
   23   2HB   ALA   4          2HB       ALA   4  14.618  15.257 -13.912
   24   3HB   ALA   4          3HB       ALA   4  14.494  13.711 -14.752
   25    H    VAL   5           H        VAL   5  14.448  17.058 -14.955
   26    HA   VAL   5           HA       VAL   5  13.023  18.754 -16.841
   27    HB   VAL   5           HB       VAL   5  13.187  20.686 -15.133
   28   1HG1  VAL   5          1HG1      VAL   5  11.111  18.583 -14.559
   29   2HG1  VAL   5          2HG1      VAL   5  10.956  20.333 -14.405
   30   3HG1  VAL   5          3HG1      VAL   5  11.099  19.596 -16.001
   31   1HG2  VAL   5          1HG2      VAL   5  12.956  20.033 -12.783
   32   2HG2  VAL   5          2HG2      VAL   5  13.162  18.338 -13.226
   33   3HG2  VAL   5          3HG2      VAL   5  14.492  19.475 -13.442
   34    H2   A2G   7           H2       A2G   7  14.862   7.142 -17.094
   35    H4   A2G   7           H4       A2G   7  13.666   3.215 -17.471
   36    H5   A2G   7           H5       A2G   7  12.419   4.276 -15.710
   37    H1   A2G   7           H1       A2G   7  13.723   7.412 -15.005
   38    H3   A2G   7           H3       A2G   7  12.920   5.209 -18.337
   39    HO4  A2G   7           HO4      A2G   7  16.116   4.497 -16.580
   40   1H6   A2G   7          1H6       A2G   7  13.561   2.063 -15.171
   41   2H6   A2G   7          2H6       A2G   7  14.835   2.965 -14.374
   42    HN2  A2G   7           HN2      A2G   7  11.984   7.463 -17.634
   43   1H8   A2G   7          1H8       A2G   7  12.461  10.469 -18.744
   44   2H8   A2G   7          2H8       A2G   7  12.522   9.457 -20.198
   45   3H8   A2G   7          3H8       A2G   7  11.407   9.050 -18.880
   46    H2   A2G  10           H2       A2G  10   9.846  13.263 -11.699
   47    H4   A2G  10           H4       A2G  10   7.726  10.513  -9.535
   48    H5   A2G  10           H5       A2G  10   6.979  10.440 -11.785
   49    H1   A2G  10           H1       A2G  10   8.573  12.810 -13.724
   50    H3   A2G  10           H3       A2G  10   9.665  10.372 -10.775
   51    HO4  A2G  10           HO4      A2G  10   7.940  13.405  -9.513
   52   1H6   A2G  10          1H6       A2G  10   5.263  12.482 -10.290
   53   2H6   A2G  10          2H6       A2G  10   4.778  11.649 -11.746
   54    HN2  A2G  10           HN2      A2G  10  10.781  10.758 -12.953
   55   1H8   A2G  10          1H8       A2G  10  14.008  12.136 -13.018
   56   2H8   A2G  10          2H8       A2G  10  13.024  10.668 -13.159
   57   3H8   A2G  10          3H8       A2G  10  12.984  11.889 -14.445
   58    H2   A2G  13           H2       A2G  13   7.289  16.740 -17.995
   59    H4   A2G  13           H4       A2G  13   5.139  13.587 -19.510
   60    H5   A2G  13           H5       A2G  13   7.445  13.065 -19.684
   61    H1   A2G  13           H1       A2G  13   9.391  15.715 -18.607
   62    H3   A2G  13           H3       A2G  13   5.896  14.123 -17.430
   63    HO4  A2G  13           HO4      A2G  13   5.623  16.299 -20.443
   64   1H6   A2G  13          1H6       A2G  13   5.974  13.750 -22.045
   65   2H6   A2G  13          2H6       A2G  13   7.604  14.339 -22.288
   66    HN2  A2G  13           HN2      A2G  13   7.995  14.590 -16.100
   67   1H8   A2G  13          1H8       A2G  13   7.349  16.742 -13.452
   68   2H8   A2G  13          2H8       A2G  13   7.801  15.108 -13.973
   69   3H8   A2G  13          3H8       A2G  13   9.010  16.406 -13.972
  Start of MODEL   18
    1   1H    ACE   0          1H        ACE   0 -12.820 -25.743 -50.263
    2   2H    ACE   0          2H        ACE   0 -13.129 -25.859 -51.999
    3   3H    ACE   0          3H        ACE   0 -14.319 -25.098 -50.939
    4    H    SER   1           H        SER   1 -13.545 -23.788 -53.088
    5    HA   SER   1           HA       SER   1 -11.356 -21.977 -52.550
    6   1HB   SER   1          1HB       SER   1 -12.207 -20.850 -54.660
    7   2HB   SER   1          2HB       SER   1 -11.734 -22.540 -54.851
    8    H    THR   2           H        THR   2 -11.863 -19.535 -52.922
    9    HA   THR   2           HA       THR   2 -13.912 -18.820 -50.961
   10    HB   THR   2           HB       THR   2 -12.741 -16.532 -51.159
   11   1HG2  THR   2          1HG2      THR   2 -10.713 -18.473 -50.242
   12   2HG2  THR   2          2HG2      THR   2 -11.347 -17.029 -49.453
   13   3HG2  THR   2          3HG2      THR   2 -12.287 -18.522 -49.446
   14    H    THR   3           H        THR   3 -14.454 -16.229 -51.586
   15    HA   THR   3           HA       THR   3 -16.087 -16.493 -53.999
   16    HB   THR   3           HB       THR   3 -17.237 -14.447 -52.944
   17   1HG2  THR   3          1HG2      THR   3 -17.199 -17.003 -51.354
   18   2HG2  THR   3          2HG2      THR   3 -18.426 -15.740 -51.250
   19   3HG2  THR   3          3HG2      THR   3 -18.234 -16.660 -52.743
   20    H    ALA   4           H        ALA   4 -16.048 -14.926 -55.620
   21    HA   ALA   4           HA       ALA   4 -13.600 -13.414 -55.762
   22   1HB   ALA   4          1HB       ALA   4 -15.772 -13.478 -57.849
   23   2HB   ALA   4          2HB       ALA   4 -14.048 -13.173 -58.069
   24   3HB   ALA   4          3HB       ALA   4 -14.614 -14.793 -57.663
   25    H    VAL   5           H        VAL   5 -15.076 -11.469 -57.597
   26    HA   VAL   5           HA       VAL   5 -16.574  -9.857 -55.689
   27    HB   VAL   5           HB       VAL   5 -14.109  -8.771 -57.082
   28   1HG1  VAL   5          1HG1      VAL   5 -16.160  -7.469 -55.304
   29   2HG1  VAL   5          2HG1      VAL   5 -14.575  -6.765 -55.629
   30   3HG1  VAL   5          3HG1      VAL   5 -15.711  -7.032 -56.951
   31   1HG2  VAL   5          1HG2      VAL   5 -13.407 -10.140 -55.242
   32   2HG2  VAL   5          2HG2      VAL   5 -13.273  -8.455 -54.735
   33   3HG2  VAL   5          3HG2      VAL   5 -14.629  -9.439 -54.182
   34    H2   A2G   7           H2       A2G   7 -15.932 -20.389 -56.587
   35    H4   A2G   7           H4       A2G   7 -16.141 -24.388 -57.463
   36    H5   A2G   7           H5       A2G   7 -14.085 -23.926 -56.247
   37    H1   A2G   7           H1       A2G   7 -13.611 -20.484 -56.004
   38    H3   A2G   7           H3       A2G   7 -16.648 -23.139 -55.590
   39    HO4  A2G   7           HO4      A2G   7 -15.606 -22.004 -59.051
   40   1H6   A2G   7          1H6       A2G   7 -12.944 -25.116 -57.796
   41   2H6   A2G   7          2H6       A2G   7 -14.121 -24.690 -59.020
   42    HN2  A2G   7           HN2      A2G   7 -15.699 -21.511 -53.877
   43   1H8   A2G   7          1H8       A2G   7 -17.971 -20.486 -52.630
   44   2H8   A2G   7          2H8       A2G   7 -16.328 -19.888 -52.332
   45   3H8   A2G   7          3H8       A2G   7 -17.617 -18.755 -52.769
   46    H2   A2G  10           H2       A2G  10 -10.600 -15.064 -54.587
   47    H4   A2G  10           H4       A2G  10  -7.435 -17.119 -52.961
   48    H5   A2G  10           H5       A2G  10  -9.259 -17.253 -51.455
   49    H1   A2G  10           H1       A2G  10 -11.964 -15.460 -52.611
   50    H3   A2G  10           H3       A2G  10  -9.145 -17.720 -54.365
   51    HO4  A2G  10           HO4      A2G  10  -7.954 -14.302 -53.459
   52   1H6   A2G  10          1H6       A2G  10  -7.034 -15.985 -50.683
   53   2H6   A2G  10          2H6       A2G  10  -8.140 -14.636 -50.460
   54    HN2  A2G  10           HN2      A2G  10 -11.501 -17.886 -54.662
   55   1H8   A2G  10          1H8       A2G  10 -12.873 -18.410 -56.174
   56   2H8   A2G  10          2H8       A2G  10 -14.181 -17.215 -56.250
   57   3H8   A2G  10          3H8       A2G  10 -13.023 -17.348 -57.586
   58    H2   A2G  13           H2       A2G  13 -15.565 -11.550 -50.169
   59    H4   A2G  13           H4       A2G  13 -16.449 -14.410 -47.357
   60    H5   A2G  13           H5       A2G  13 -17.264 -15.152 -49.456
   61    H1   A2G  13           H1       A2G  13 -16.706 -12.789 -51.916
   62    H3   A2G  13           H3       A2G  13 -14.642 -14.029 -48.704
   63    HO4  A2G  13           HO4      A2G  13 -17.433 -11.719 -47.837
   64   1H6   A2G  13          1H6       A2G  13 -19.028 -14.604 -47.480
   65   2H6   A2G  13          2H6       A2G  13 -19.704 -13.562 -48.723
   66    HN2  A2G  13           HN2      A2G  13 -13.920 -13.799 -51.135
   67   1H8   A2G  13          1H8       A2G  13 -11.193 -11.692 -51.383
   68   2H8   A2G  13          2H8       A2G  13 -11.847 -13.325 -51.605
   69   3H8   A2G  13          3H8       A2G  13 -12.122 -12.085 -52.842
  Start of MODEL   19
    1   1H    ACE   0          1H        ACE   0  22.155 -13.697  11.230
    2   2H    ACE   0          2H        ACE   0  20.586 -14.149  10.556
    3   3H    ACE   0          3H        ACE   0  21.168 -14.921  12.034
    4    H    SER   1           H        SER   1  20.944 -11.623  10.836
    5    HA   SER   1           HA       SER   1  20.109 -10.597  13.405
    6   1HB   SER   1          1HB       SER   1  20.013  -8.408  12.121
    7   2HB   SER   1          2HB       SER   1  21.587  -9.207  12.127
    8    H    THR   2           H        THR   2  18.195  -9.096  13.530
    9    HA   THR   2           HA       THR   2  15.895 -10.412  12.291
   10    HB   THR   2           HB       THR   2  14.608  -8.955  13.952
   11   1HG2  THR   2          1HG2      THR   2  15.775 -11.431  14.297
   12   2HG2  THR   2          2HG2      THR   2  16.250 -10.527  15.735
   13   3HG2  THR   2          3HG2      THR   2  14.542 -10.691  15.319
   14    H    THR   3           H        THR   3  13.976  -8.592  12.325
   15    HA   THR   3           HA       THR   3  14.767  -6.689  10.250
   16    HB   THR   3           HB       THR   3  12.183  -6.711   9.955
   17   1HG2  THR   3          1HG2      THR   3  12.217  -8.701   8.632
   18   2HG2  THR   3          2HG2      THR   3  13.791  -7.920   8.473
   19   3HG2  THR   3          3HG2      THR   3  13.605  -9.324   9.527
   20    H    ALA   4           H        ALA   4  13.080  -4.757  10.251
   21    HA   ALA   4           HA       ALA   4  12.376  -3.807  12.871
   22   1HB   ALA   4          1HB       ALA   4  13.895  -2.099  13.097
   23   2HB   ALA   4          2HB       ALA   4  14.899  -3.268  12.240
   24   3HB   ALA   4          3HB       ALA   4  14.145  -1.942  11.359
   25    H    VAL   5           H        VAL   5  12.447  -0.998  11.747
   26    HA   VAL   5           HA       VAL   5  10.511  -1.115   9.581
   27    HB   VAL   5           HB       VAL   5   9.064   0.587  10.929
   28   1HG1  VAL   5          1HG1      VAL   5   7.598  -1.149  11.615
   29   2HG1  VAL   5          2HG1      VAL   5   8.424  -1.712  10.162
   30   3HG1  VAL   5          3HG1      VAL   5   8.920  -2.306  11.747
   31   1HG2  VAL   5          1HG2      VAL   5  10.690   0.679  12.839
   32   2HG2  VAL   5          2HG2      VAL   5   9.032   0.304  13.312
   33   3HG2  VAL   5          3HG2      VAL   5  10.240  -0.980  13.231
   34    H2   A2G   7           H2       A2G   7  19.036  -7.270   8.243
   35    H4   A2G   7           H4       A2G   7  22.369  -9.065   6.652
   36    H5   A2G   7           H5       A2G   7  22.368  -9.334   9.062
   37    H1   A2G   7           H1       A2G   7  19.875  -7.376  10.483
   38    H3   A2G   7           H3       A2G   7  20.292  -9.838   7.278
   39    HO4  A2G   7           HO4      A2G   7  21.580  -6.291   7.048
   40   1H6   A2G   7          1H6       A2G   7  24.312  -7.874   7.685
   41   2H6   A2G   7          2H6       A2G   7  23.973  -6.853   9.083
   42    HN2  A2G   7           HN2      A2G   7  18.671 -10.027   9.220
   43   1H8   A2G   7          1H8       A2G   7  16.540 -10.885   8.425
   44   2H8   A2G   7          2H8       A2G   7  16.066  -9.990   9.880
   45   3H8   A2G   7          3H8       A2G   7  15.228  -9.696   8.347
   46    H2   A2G  10           H2       A2G  10  15.621  -5.274  15.860
   47    H4   A2G  10           H4       A2G  10  18.214  -7.447  18.155
   48    H5   A2G  10           H5       A2G  10  16.908  -8.954  16.871
   49    H1   A2G  10           H1       A2G  10  14.585  -7.281  14.942
   50    H3   A2G  10           H3       A2G  10  18.357  -6.594  16.024
   51    HO4  A2G  10           HO4      A2G  10  15.935  -5.744  18.723
   52   1H6   A2G  10          1H6       A2G  10  15.175  -8.530  19.341
   53   2H6   A2G  10          2H6       A2G  10  15.472 -10.017  18.465
   54    HN2  A2G  10           HN2      A2G  10  17.314  -6.463  13.750
   55   1H8   A2G  10          1H8       A2G  10  16.290  -4.638  11.548
   56   2H8   A2G  10          2H8       A2G  10  17.422  -3.416  12.156
   57   3H8   A2G  10          3H8       A2G  10  17.886  -5.126  12.149
   58    H2   A2G  13           H2       A2G  13   8.928  -8.529  12.281
   59    H4   A2G  13           H4       A2G  13  10.927 -12.061  11.678
   60    H5   A2G  13           H5       A2G  13  12.030 -10.360  10.423
   61    H1   A2G  13           H1       A2G  13  10.329  -7.343  10.715
   62    H3   A2G  13           H3       A2G  13  11.109 -10.392  13.233
   63    HO4  A2G  13           HO4      A2G  13   8.384 -11.069  10.681
   64   1H6   A2G  13          1H6       A2G  13  11.410 -10.835   8.102
   65   2H6   A2G  13          2H6       A2G  13  11.286 -12.314   9.044
   66    HN2  A2G  13           HN2      A2G  13  11.544  -7.910  13.501
   67   1H8   A2G  13          1H8       A2G  13  10.486  -7.107  16.247
   68   2H8   A2G  13          2H8       A2G  13  11.500  -6.360  14.998
   69   3H8   A2G  13          3H8       A2G  13   9.980  -5.587  15.486
  Start of MODEL   20
    1   1H    ACE   0          1H        ACE   0  28.259  29.913  -6.092
    2   2H    ACE   0          2H        ACE   0  26.829  30.863  -6.506
    3   3H    ACE   0          3H        ACE   0  27.193  30.507  -4.815
    4    H    SER   1           H        SER   1  29.794  30.969  -4.635
    5    HA   SER   1           HA       SER   1  29.929  33.850  -4.656
    6   1HB   SER   1          1HB       SER   1  31.968  33.583  -3.371
    7   2HB   SER   1          2HB       SER   1  30.752  32.472  -2.738
    8    H    THR   2           H        THR   2  32.132  34.839  -5.234
    9    HA   THR   2           HA       THR   2  32.726  34.097  -8.003
   10    HB   THR   2           HB       THR   2  33.963  36.357  -7.915
   11   1HG2  THR   2          1HG2      THR   2  31.363  35.807  -8.514
   12   2HG2  THR   2          2HG2      THR   2  31.205  37.066  -7.287
   13   3HG2  THR   2          3HG2      THR   2  32.158  37.365  -8.741
   14    H    THR   3           H        THR   3  35.233  35.169  -8.323
   15    HA   THR   3           HA       THR   3  36.907  33.263  -6.849
   16    HB   THR   3           HB       THR   3  38.544  33.839  -8.719
   17   1HG2  THR   3          1HG2      THR   3  35.988  32.889  -9.935
   18   2HG2  THR   3          2HG2      THR   3  37.642  32.361 -10.250
   19   3HG2  THR   3          3HG2      THR   3  36.836  31.889  -8.754
   20    H    ALA   4           H        ALA   4  39.297  34.180  -6.766
   21    HA   ALA   4           HA       ALA   4  39.450  36.995  -6.159
   22   1HB   ALA   4          1HB       ALA   4  39.307  36.884  -3.935
   23   2HB   ALA   4          2HB       ALA   4  38.883  35.179  -4.076
   24   3HB   ALA   4          3HB       ALA   4  40.568  35.655  -3.878
   25    H    VAL   5           H        VAL   5  41.262  37.597  -7.139
   26    HA   VAL   5           HA       VAL   5  43.456  35.705  -7.472
   27    HB   VAL   5           HB       VAL   5  43.214  38.520  -8.565
   28   1HG1  VAL   5          1HG1      VAL   5  44.881  37.669 -10.228
   29   2HG1  VAL   5          2HG1      VAL   5  45.491  37.811  -8.579
   30   3HG1  VAL   5          3HG1      VAL   5  45.056  36.229  -9.227
   31   1HG2  VAL   5          1HG2      VAL   5  41.385  37.262  -9.456
   32   2HG2  VAL   5          2HG2      VAL   5  42.622  37.341 -10.711
   33   3HG2  VAL   5          3HG2      VAL   5  42.417  35.866  -9.766
   34    H2   A2G   7           H2       A2G   7  34.983  30.178  -2.634
   35    H4   A2G   7           H4       A2G   7  31.531  28.096  -1.728
   36    H5   A2G   7           H5       A2G   7  30.986  30.323  -2.503
   37    H1   A2G   7           H1       A2G   7  33.840  32.274  -2.707
   38    H3   A2G   7           H3       A2G   7  32.743  28.447  -3.655
   39    HO4  A2G   7           HO4      A2G   7  33.700  29.190  -0.129
   40   1H6   A2G   7          1H6       A2G   7  31.113  30.562   0.536
   41   2H6   A2G   7          2H6       A2G   7  29.947  31.274  -0.553
   42    HN2  A2G   7           HN2      A2G   7  33.515  30.355  -5.183
   43   1H8   A2G   7          1H8       A2G   7  34.656  30.285  -6.947
   44   2H8   A2G   7          2H8       A2G   7  36.365  30.736  -6.809
   45   3H8   A2G   7          3H8       A2G   7  35.906  29.026  -6.907
   46    H2   A2G  10           H2       A2G  10  35.574  38.571  -4.615
   47    H4   A2G  10           H4       A2G  10  31.737  39.538  -3.660
   48    H5   A2G  10           H5       A2G  10  31.721  38.317  -5.714
   49    H1   A2G  10           H1       A2G  10  34.938  37.602  -6.759
   50    H3   A2G  10           H3       A2G  10  33.007  37.657  -3.279
   51    HO4  A2G  10           HO4      A2G  10  34.040  41.053  -4.570
   52   1H6   A2G  10          1H6       A2G  10  30.892  40.893  -5.643
   53   2H6   A2G  10          2H6       A2G  10  32.092  41.035  -6.922
   54    HN2  A2G  10           HN2      A2G  10  34.461  35.862  -4.246
   55   1H8   A2G  10          1H8       A2G  10  37.310  35.015  -2.430
   56   2H8   A2G  10          2H8       A2G  10  35.690  34.538  -2.970
   57   3H8   A2G  10          3H8       A2G  10  37.057  34.475  -4.102
   58    H2   A2G  13           H2       A2G  13  38.842  37.669 -10.721
   59    H4   A2G  13           H4       A2G  13  36.036  36.040 -13.244
   60    H5   A2G  13           H5       A2G  13  36.678  34.401 -11.664
   61    H1   A2G  13           H1       A2G  13  39.141  35.553  -9.563
   62    H3   A2G  13           H3       A2G  13  35.908  37.215 -11.280
   63    HO4  A2G  13           HO4      A2G  13  38.760  36.987 -13.608
   64   1H6   A2G  13          1H6       A2G  13  36.917  33.140 -13.557
   65   2H6   A2G  13          2H6       A2G  13  38.049  34.238 -14.317
   66    HN2  A2G  13           HN2      A2G  13  36.638  37.161  -8.830
   67   1H8   A2G  13          1H8       A2G  13  35.992  39.271  -7.756
   68   2H8   A2G  13          2H8       A2G  13  37.350  38.695  -6.772
   69   3H8   A2G  13          3H8       A2G  13  37.346  40.355  -7.392
  Start of MODEL   21
    1   1H    ACE   0          1H        ACE   0 -16.839   3.426 -31.736
    2   2H    ACE   0          2H        ACE   0 -15.448   4.426 -32.166
    3   3H    ACE   0          3H        ACE   0 -17.046   5.160 -32.003
    4    H    SER   1           H        SER   1 -15.474   6.487 -30.666
    5    HA   SER   1           HA       SER   1 -16.034   5.930 -27.883
    6   1HB   SER   1          1HB       SER   1 -13.685   6.080 -27.165
    7   2HB   SER   1          2HB       SER   1 -13.907   4.715 -28.265
    8    H    THR   2           H        THR   2 -14.624   7.763 -26.581
    9    HA   THR   2           HA       THR   2 -15.468  10.281 -27.809
   10    HB   THR   2           HB       THR   2 -14.888  11.170 -25.457
   11   1HG2  THR   2          1HG2      THR   2 -17.029   9.283 -24.922
   12   2HG2  THR   2          2HG2      THR   2 -17.050  11.048 -24.951
   13   3HG2  THR   2          3HG2      THR   2 -17.236  10.140 -26.451
   14    H    THR   3           H        THR   3 -13.870  12.124 -26.656
   15    HA   THR   3           HA       THR   3 -11.263  11.563 -27.873
   16    HB   THR   3           HB       THR   3 -11.174  14.136 -27.833
   17   1HG2  THR   3          1HG2      THR   3 -11.716  12.816 -29.862
   18   2HG2  THR   3          2HG2      THR   3 -13.418  12.888 -29.400
   19   3HG2  THR   3          3HG2      THR   3 -12.545  14.372 -29.795
   20    H    ALA   4           H        ALA   4  -9.481  13.008 -26.880
   21    HA   ALA   4           HA       ALA   4  -9.699  13.440 -24.039
   22   1HB   ALA   4          1HB       ALA   4  -7.339  11.862 -24.324
   23   2HB   ALA   4          2HB       ALA   4  -8.760  11.548 -23.328
   24   3HB   ALA   4          3HB       ALA   4  -8.697  10.958 -24.990
   25    H    VAL   5           H        VAL   5  -8.784  15.375 -23.800
   26    HA   VAL   5           HA       VAL   5  -6.649  16.214 -25.603
   27    HB   VAL   5           HB       VAL   5  -6.924  18.454 -24.534
   28   1HG1  VAL   5          1HG1      VAL   5  -9.487  17.280 -25.602
   29   2HG1  VAL   5          2HG1      VAL   5  -9.023  18.982 -25.608
   30   3HG1  VAL   5          3HG1      VAL   5  -8.127  17.818 -26.585
   31   1HG2  VAL   5          1HG2      VAL   5  -8.794  18.884 -23.058
   32   2HG2  VAL   5          2HG2      VAL   5  -9.293  17.195 -23.138
   33   3HG2  VAL   5          3HG2      VAL   5  -7.778  17.632 -22.349
   34    H2   A2G   7           H2       A2G   7  -9.698   6.552 -29.548
   35    H4   A2G   7           H4       A2G   7 -11.543   3.892 -32.057
   36    H5   A2G   7           H5       A2G   7 -13.037   4.381 -30.219
   37    H1   A2G   7           H1       A2G   7 -11.332   6.268 -27.817
   38    H3   A2G   7           H3       A2G   7 -11.611   6.176 -31.846
   39    HO4  A2G   7           HO4      A2G   7  -9.420   3.600 -30.091
   40   1H6   A2G   7          1H6       A2G   7 -13.119   2.225 -29.122
   41   2H6   A2G   7          2H6       A2G   7 -12.472   1.934 -30.730
   42    HN2  A2G   7           HN2      A2G   7 -12.125   8.084 -30.228
   43   1H8   A2G   7          1H8       A2G   7 -11.792  10.311 -29.937
   44   2H8   A2G   7          2H8       A2G   7 -10.162  10.998 -30.021
   45   3H8   A2G   7          3H8       A2G   7 -10.945  10.395 -31.492
   46    H2   A2G  10           H2       A2G  10 -12.169   9.499 -22.612
   47    H4   A2G  10           H4       A2G  10 -15.168   6.857 -21.741
   48    H5   A2G  10           H5       A2G  10 -16.065   8.507 -23.178
   49    H1   A2G  10           H1       A2G  10 -13.648  10.860 -23.991
   50    H3   A2G  10           H3       A2G  10 -13.573   6.912 -23.389
   51    HO4  A2G  10           HO4      A2G  10 -13.713   8.837 -20.195
   52   1H6   A2G  10          1H6       A2G  10 -16.922   8.401 -20.599
   53   2H6   A2G  10          2H6       A2G  10 -16.439  10.092 -20.661
   54    HN2  A2G  10           HN2      A2G  10 -12.544   8.107 -25.195
   55   1H8   A2G  10          1H8       A2G  10 -10.865   8.021 -26.475
   56   2H8   A2G  10          2H8       A2G  10 -10.097   9.617 -26.584
   57   3H8   A2G  10          3H8       A2G  10  -9.259   8.282 -25.771
   58    H2   A2G  13           H2       A2G  13 -13.567  17.045 -25.576
   59    H4   A2G  13           H4       A2G  13 -16.491  16.087 -28.287
   60    H5   A2G  13           H5       A2G  13 -14.520  14.844 -28.819
   61    H1   A2G  13           H1       A2G  13 -11.889  15.774 -26.773
   62    H3   A2G  13           H3       A2G  13 -15.837  15.192 -26.280
   63    HO4  A2G  13           HO4      A2G  13 -14.880  18.464 -27.840
   64   1H6   A2G  13          1H6       A2G  13 -15.336  17.038 -30.491
   65   2H6   A2G  13          2H6       A2G  13 -13.585  16.956 -30.559
   66    HN2  A2G  13           HN2      A2G  13 -13.873  14.165 -25.043
   67   1H8   A2G  13          1H8       A2G  13 -14.447  13.763 -22.777
   68   2H8   A2G  13          2H8       A2G  13 -12.704  14.015 -22.575
   69   3H8   A2G  13          3H8       A2G  13 -13.852  14.919 -21.572
  Start of MODEL   22
    1   1H    ACE   0          1H        ACE   0   1.529  50.743  -8.447
    2   2H    ACE   0          2H        ACE   0   3.231  51.188  -8.295
    3   3H    ACE   0          3H        ACE   0   2.380  50.469  -6.924
    4    H    SER   1           H        SER   1   4.700  49.439  -7.713
    5    HA   SER   1           HA       SER   1   4.337  47.221  -9.520
    6   1HB   SER   1          1HB       SER   1   6.666  46.664  -8.963
    7   2HB   SER   1          2HB       SER   1   6.514  48.378  -9.349
    8    H    THR   2           H        THR   2   5.644  45.133  -8.368
    9    HA   THR   2           HA       THR   2   3.697  44.255  -6.374
   10    HB   THR   2           HB       THR   2   4.803  41.982  -6.885
   11   1HG2  THR   2          1HG2      THR   2   2.959  41.768  -8.086
   12   2HG2  THR   2          2HG2      THR   2   2.919  43.494  -8.441
   13   3HG2  THR   2          3HG2      THR   2   3.855  42.406  -9.465
   14    H    THR   3           H        THR   3   5.148  42.200  -5.179
   15    HA   THR   3           HA       THR   3   6.917  43.695  -3.399
   16    HB   THR   3           HB       THR   3   6.519  41.564  -1.974
   17   1HG2  THR   3          1HG2      THR   3   3.985  43.026  -2.588
   18   2HG2  THR   3          2HG2      THR   3   4.548  42.387  -1.042
   19   3HG2  THR   3          3HG2      THR   3   5.315  43.817  -1.739
   20    H    ALA   4           H        ALA   4   8.968  42.846  -2.819
   21    HA   ALA   4           HA       ALA   4  10.154  41.238  -4.893
   22   1HB   ALA   4          1HB       ALA   4  11.193  43.334  -3.871
   23   2HB   ALA   4          2HB       ALA   4  11.560  42.337  -2.464
   24   3HB   ALA   4          3HB       ALA   4  12.249  41.933  -4.037
   25    H    VAL   5           H        VAL   5  12.184  40.301  -2.819
   26    HA   VAL   5           HA       VAL   5  10.810  37.806  -2.209
   27    HB   VAL   5           HB       VAL   5  13.110  37.011  -1.529
   28   1HG1  VAL   5          1HG1      VAL   5  13.914  36.789  -3.830
   29   2HG1  VAL   5          2HG1      VAL   5  12.176  36.512  -3.716
   30   3HG1  VAL   5          3HG1      VAL   5  12.787  38.043  -4.344
   31   1HG2  VAL   5          1HG2      VAL   5  15.046  38.303  -2.108
   32   2HG2  VAL   5          2HG2      VAL   5  14.054  39.563  -2.843
   33   3HG2  VAL   5          3HG2      VAL   5  14.016  39.315  -1.098
   34    H2   A2G   7           H2       A2G   7   9.631  48.341  -5.759
   35    H4   A2G   7           H4       A2G   7   7.979  51.896  -7.057
   36    H5   A2G   7           H5       A2G   7   6.925  50.046  -8.187
   37    H1   A2G   7           H1       A2G   7   8.645  47.099  -7.548
   38    H3   A2G   7           H3       A2G   7   7.422  50.360  -5.426
   39    HO4  A2G   7           HO4      A2G   7  10.581  50.640  -7.382
   40   1H6   A2G   7          1H6       A2G   7   9.207  50.938 -10.014
   41   2H6   A2G   7          2H6       A2G   7   7.606  50.423 -10.481
   42    HN2  A2G   7           HN2      A2G   7   6.779  47.911  -5.148
   43   1H8   A2G   7          1H8       A2G   7   7.406  47.220  -1.979
   44   2H8   A2G   7          2H8       A2G   7   6.319  46.920  -3.347
   45   3H8   A2G   7          3H8       A2G   7   7.529  45.706  -2.894
   46    H2   A2G  10           H2       A2G  10   8.915  41.472  -8.083
   47    H4   A2G  10           H4       A2G  10   7.521  42.030 -11.835
   48    H5   A2G  10           H5       A2G  10   5.623  41.870 -10.406
   49    H1   A2G  10           H1       A2G  10   6.657  41.404  -7.113
   50    H3   A2G  10           H3       A2G  10   7.989  43.514 -10.141
   51    HO4  A2G  10           HO4      A2G  10   8.671  39.745 -10.459
   52   1H6   A2G  10          1H6       A2G  10   4.754  39.616 -10.798
   53   2H6   A2G  10          2H6       A2G  10   5.677  40.118 -12.205
   54    HN2  A2G  10           HN2      A2G  10   7.803  44.190  -7.741
   55   1H8   A2G  10          1H8       A2G  10   8.709  45.401  -6.269
   56   2H8   A2G  10          2H8       A2G  10   9.659  44.614  -4.998
   57   3H8   A2G  10          3H8       A2G  10  10.474  45.325  -6.403
   58    H2   A2G  13           H2       A2G  13   5.002  37.641  -3.119
   59    H4   A2G  13           H4       A2G  13   1.431  39.647  -3.573
   60    H5   A2G  13           H5       A2G  13   3.000  41.138  -2.642
   61    H1   A2G  13           H1       A2G  13   6.032  39.584  -2.084
   62    H3   A2G  13           H3       A2G  13   3.223  39.250  -4.954
   63    HO4  A2G  13           HO4      A2G  13   2.278  37.502  -1.809
   64   1H6   A2G  13          1H6       A2G  13   2.128  39.964  -0.020
   65   2H6   A2G  13          2H6       A2G  13   2.041  41.617  -0.602
   66    HN2  A2G  13           HN2      A2G  13   5.474  39.534  -5.335
   67   1H8   A2G  13          1H8       A2G  13   6.957  38.882  -6.779
   68   2H8   A2G  13          2H8       A2G  13   8.423  38.863  -5.784
   69   3H8   A2G  13          3H8       A2G  13   7.864  37.373  -6.559
  Start of MODEL   23
    1   1H    ACE   0          1H        ACE   0  21.312  38.038 -20.286
    2   2H    ACE   0          2H        ACE   0  22.948  37.451 -19.979
    3   3H    ACE   0          3H        ACE   0  22.646  38.565 -21.316
    4    H    SER   1           H        SER   1  21.873  40.657 -20.823
    5    HA   SER   1           HA       SER   1  23.319  41.852 -18.631
    6   1HB   SER   1          1HB       SER   1  22.457  43.999 -19.635
    7   2HB   SER   1          2HB       SER   1  23.391  42.996 -20.745
    8    H    THR   2           H        THR   2  22.022  43.875 -17.626
    9    HA   THR   2           HA       THR   2  19.758  42.653 -16.236
   10    HB   THR   2           HB       THR   2  20.043  44.695 -14.714
   11   1HG2  THR   2          1HG2      THR   2  22.592  43.645 -14.241
   12   2HG2  THR   2          2HG2      THR   2  21.077  43.220 -13.442
   13   3HG2  THR   2          3HG2      THR   2  21.614  42.309 -14.853
   14    H    THR   3           H        THR   3  18.369  44.829 -15.353
   15    HA   THR   3           HA       THR   3  17.055  45.751 -17.803
   16    HB   THR   3           HB       THR   3  15.204  46.304 -16.114
   17   1HG2  THR   3          1HG2      THR   3  14.381  44.090 -15.977
   18   2HG2  THR   3          2HG2      THR   3  15.256  44.212 -17.505
   19   3HG2  THR   3          3HG2      THR   3  16.003  43.412 -16.120
   20    H    ALA   4           H        ALA   4  15.840  47.948 -17.339
   21    HA   ALA   4           HA       ALA   4  17.376  49.811 -15.774
   22   1HB   ALA   4          1HB       ALA   4  17.062  50.696 -18.580
   23   2HB   ALA   4          2HB       ALA   4  18.391  50.963 -17.451
   24   3HB   ALA   4          3HB       ALA   4  18.251  49.427 -18.306
   25    H    VAL   5           H        VAL   5  16.282  52.035 -17.463
   26    HA   VAL   5           HA       VAL   5  13.622  52.094 -16.282
   27    HB   VAL   5           HB       VAL   5  15.100  54.301 -17.741
   28   1HG1  VAL   5          1HG1      VAL   5  12.778  54.784 -17.728
   29   2HG1  VAL   5          2HG1      VAL   5  12.614  54.289 -16.043
   30   3HG1  VAL   5          3HG1      VAL   5  13.505  55.756 -16.450
   31   1HG2  VAL   5          1HG2      VAL   5  16.397  53.719 -15.815
   32   2HG2  VAL   5          2HG2      VAL   5  15.504  55.189 -15.422
   33   3HG2  VAL   5          3HG2      VAL   5  14.959  53.632 -14.799
   34    H2   A2G   7           H2       A2G   7  19.719  45.227 -22.908
   35    H4   A2G   7           H4       A2G   7  20.957  42.006 -25.116
   36    H5   A2G   7           H5       A2G   7  22.121  42.015 -22.970
   37    H1   A2G   7           H1       A2G   7  21.519  45.052 -21.353
   38    H3   A2G   7           H3       A2G   7  19.422  42.287 -23.423
   39    HO4  A2G   7           HO4      A2G   7  21.520  44.856 -25.254
   40   1H6   A2G   7          1H6       A2G   7  24.458  42.947 -23.785
   41   2H6   A2G   7          2H6       A2G   7  23.768  41.543 -24.574
   42    HN2  A2G   7           HN2      A2G   7  19.065  43.006 -21.088
   43   1H8   A2G   7          1H8       A2G   7  17.407  43.299 -19.807
   44   2H8   A2G   7          2H8       A2G   7  16.664  44.903 -19.676
   45   3H8   A2G   7          3H8       A2G   7  16.026  43.724 -20.835
   46    H2   A2G  10           H2       A2G  10  21.447  48.575 -15.796
   47    H4   A2G  10           H4       A2G  10  25.172  47.031 -15.329
   48    H5   A2G  10           H5       A2G  10  23.639  45.424 -14.543
   49    H1   A2G  10           H1       A2G  10  20.384  46.574 -14.869
   50    H3   A2G  10           H3       A2G  10  23.662  46.930 -17.059
   51    HO4  A2G  10           HO4      A2G  10  23.703  49.193 -14.056
   52   1H6   A2G  10          1H6       A2G  10  25.191  46.849 -12.721
   53   2H6   A2G  10          2H6       A2G  10  23.610  46.839 -11.950
   54    HN2  A2G  10           HN2      A2G  10  21.282  46.396 -17.777
   55   1H8   A2G  10          1H8       A2G  10  20.347  46.902 -19.647
   56   2H8   A2G  10          2H8       A2G  10  18.800  47.629 -19.166
   57   3H8   A2G  10          3H8       A2G  10  19.995  48.590 -20.061
   58    H2   A2G  13           H2       A2G  13  15.724  47.245 -11.895
   59    H4   A2G  13           H4       A2G  13  15.659  43.167 -11.470
   60    H5   A2G  13           H5       A2G  13  15.197  43.673 -13.740
   61    H1   A2G  13           H1       A2G  13  15.140  47.096 -14.256
   62    H3   A2G  13           H3       A2G  13  17.317  44.674 -11.914
   63    HO4  A2G  13           HO4      A2G  13  13.869  45.280 -10.590
   64   1H6   A2G  13          1H6       A2G  13  12.351  43.974 -12.933
   65   2H6   A2G  13          2H6       A2G  13  13.121  42.743 -13.919
   66    HN2  A2G  13           HN2      A2G  13  18.195  46.346 -13.233
   67   1H8   A2G  13          1H8       A2G  13  19.624  49.370 -12.403
   68   2H8   A2G  13          2H8       A2G  13  19.835  47.764 -13.121
   69   3H8   A2G  13          3H8       A2G  13  19.188  49.095 -14.098
  Start of MODEL   24
    1   1H    ACE   0          1H        ACE   0 -25.648  19.796   3.155
    2   2H    ACE   0          2H        ACE   0 -25.729  20.609   4.720
    3   3H    ACE   0          3H        ACE   0 -24.514  19.359   4.437
    4    H    SER   1           H        SER   1 -23.198  19.789   2.419
    5    HA   SER   1           HA       SER   1 -21.848  22.313   2.793
    6   1HB   SER   1          1HB       SER   1 -20.101  21.408   1.468
    7   2HB   SER   1          2HB       SER   1 -20.727  20.037   2.387
    8    H    THR   2           H        THR   2 -21.192  23.659   0.927
    9    HA   THR   2           HA       THR   2 -23.479  24.065  -0.853
   10    HB   THR   2           HB       THR   2 -22.194  26.229  -1.397
   11   1HG2  THR   2          1HG2      THR   2 -24.058  25.726   0.523
   12   2HG2  THR   2          2HG2      THR   2 -22.748  26.446   1.460
   13   3HG2  THR   2          3HG2      THR   2 -23.439  27.321   0.092
   14    H    THR   3           H        THR   3 -22.388  25.363  -2.963
   15    HA   THR   3           HA       THR   3 -20.883  23.237  -4.299
   16    HB   THR   3           HB       THR   3 -21.733  24.485  -6.363
   17   1HG2  THR   3          1HG2      THR   3 -23.690  23.342  -6.410
   18   2HG2  THR   3          2HG2      THR   3 -22.969  22.549  -5.008
   19   3HG2  THR   3          3HG2      THR   3 -24.142  23.850  -4.781
   20    H    ALA   4           H        ALA   4 -19.489  24.192  -6.152
   21    HA   ALA   4           HA       ALA   4 -18.271  26.739  -5.589
   22   1HB   ALA   4          1HB       ALA   4 -17.100  24.310  -4.579
   23   2HB   ALA   4          2HB       ALA   4 -16.021  25.080  -5.741
   24   3HB   ALA   4          3HB       ALA   4 -16.594  25.980  -4.340
   25    H    VAL   5           H        VAL   5 -18.240  27.600  -7.545
   26    HA   VAL   5           HA       VAL   5 -16.855  26.224  -9.700
   27    HB   VAL   5           HB       VAL   5 -18.792  27.045 -11.275
   28   1HG1  VAL   5          1HG1      VAL   5 -18.018  24.715 -10.962
   29   2HG1  VAL   5          2HG1      VAL   5 -19.153  24.551  -9.621
   30   3HG1  VAL   5          3HG1      VAL   5 -19.751  24.841 -11.255
   31   1HG2  VAL   5          1HG2      VAL   5 -20.379  26.453  -8.774
   32   2HG2  VAL   5          2HG2      VAL   5 -20.053  28.085  -9.357
   33   3HG2  VAL   5          3HG2      VAL   5 -20.994  26.966 -10.343
   34    H2   A2G   7           H2       A2G   7 -19.887  18.013  -1.786
   35    H4   A2G   7           H4       A2G   7 -22.619  16.204   0.697
   36    H5   A2G   7           H5       A2G   7 -21.985  18.333   1.625
   37    H1   A2G   7           H1       A2G   7 -19.314  19.673  -0.157
   38    H3   A2G   7           H3       A2G   7 -22.782  17.730  -1.013
   39    HO4  A2G   7           HO4      A2G   7 -19.819  15.685   0.117
   40   1H6   A2G   7          1H6       A2G   7 -19.897  16.779   3.045
   41   2H6   A2G   7          2H6       A2G   7 -21.346  17.549   3.669
   42    HN2  A2G   7           HN2      A2G   7 -22.013  20.052  -1.717
   43   1H8   A2G   7          1H8       A2G   7 -22.423  21.072  -3.512
   44   2H8   A2G   7          2H8       A2G   7 -21.035  21.226  -4.605
   45   3H8   A2G   7          3H8       A2G   7 -22.335  20.080  -4.979
   46    H2   A2G  10           H2       A2G  10 -18.072  27.350  -0.904
   47    H4   A2G  10           H4       A2G  10 -18.768  27.427   3.087
   48    H5   A2G  10           H5       A2G  10 -20.864  27.070   1.986
   49    H1   A2G  10           H1       A2G  10 -20.444  27.114  -1.473
   50    H3   A2G  10           H3       A2G  10 -18.415  25.689   1.617
   51    HO4  A2G  10           HO4      A2G  10 -18.197  29.498   1.135
   52   1H6   A2G  10          1H6       A2G  10 -21.988  29.260   2.184
   53   2H6   A2G  10          2H6       A2G  10 -20.882  28.997   3.523
   54    HN2  A2G  10           HN2      A2G  10 -19.006  24.568  -0.560
   55   1H8   A2G  10          1H8       A2G  10 -17.474  23.042  -1.428
   56   2H8   A2G  10          2H8       A2G  10 -18.160  23.515  -2.995
   57   3H8   A2G  10          3H8       A2G  10 -16.405  23.564  -2.742
   58    H2   A2G  13           H2       A2G  13 -22.897  28.568  -6.893
   59    H4   A2G  13           H4       A2G  13 -26.407  27.597  -4.922
   60    H5   A2G  13           H5       A2G  13 -25.025  25.653  -5.119
   61    H1   A2G  13           H1       A2G  13 -22.272  26.271  -7.100
   62    H3   A2G  13           H3       A2G  13 -24.337  28.355  -4.271
   63    HO4  A2G  13           HO4      A2G  13 -25.808  28.369  -7.662
   64   1H6   A2G  13          1H6       A2G  13 -27.119  24.864  -5.725
   65   2H6   A2G  13          2H6       A2G  13 -27.258  25.867  -7.146
   66    HN2  A2G  13           HN2      A2G  13 -22.122  27.900  -4.137
   67   1H8   A2G  13          1H8       A2G  13 -20.303  28.707  -3.446
   68   2H8   A2G  13          2H8       A2G  13 -19.006  28.409  -4.617
   69   3H8   A2G  13          3H8       A2G  13 -19.589  30.059  -4.346
  Start of MODEL   25
    1   1H    ACE   0          1H        ACE   0  23.582   0.619  -0.135
    2   2H    ACE   0          2H        ACE   0  25.247   0.595   0.452
    3   3H    ACE   0          3H        ACE   0  23.965   1.270   1.461
    4    H    SER   1           H        SER   1  25.943  -1.192   1.205
    5    HA   SER   1           HA       SER   1  24.182  -3.416   1.728
    6   1HB   SER   1          1HB       SER   1  26.168  -4.753   1.865
    7   2HB   SER   1          2HB       SER   1  26.408  -3.611   0.541
    8    H    THR   2           H        THR   2  24.376  -4.747   3.687
    9    HA   THR   2           HA       THR   2  24.464  -3.031   6.049
   10    HB   THR   2           HB       THR   2  23.382  -5.136   7.106
   11   1HG2  THR   2          1HG2      THR   2  22.188  -3.026   6.300
   12   2HG2  THR   2          2HG2      THR   2  21.729  -3.997   4.901
   13   3HG2  THR   2          3HG2      THR   2  21.243  -4.499   6.521
   14    H    THR   3           H        THR   3  24.880  -5.137   7.966
   15    HA   THR   3           HA       THR   3  27.774  -5.430   7.717
   16    HB   THR   3           HB       THR   3  27.465  -6.084  10.208
   17   1HG2  THR   3          1HG2      THR   3  27.222  -3.765  10.962
   18   2HG2  THR   3          2HG2      THR   3  28.366  -3.911   9.627
   19   3HG2  THR   3          3HG2      THR   3  26.738  -3.295   9.333
   20    H    ALA   4           H        ALA   4  28.788  -7.437   7.976
   21    HA   ALA   4           HA       ALA   4  27.134  -9.681   7.269
   22   1HB   ALA   4          1HB       ALA   4  29.424  -9.092   6.260
   23   2HB   ALA   4          2HB       ALA   4  30.105  -9.779   7.735
   24   3HB   ALA   4          3HB       ALA   4  29.123 -10.781   6.665
   25    H    VAL   5           H        VAL   5  29.200 -11.467   8.626
   26    HA   VAL   5           HA       VAL   5  28.505 -11.171  11.438
   27    HB   VAL   5           HB       VAL   5  27.816 -13.690   9.896
   28   1HG1  VAL   5          1HG1      VAL   5  27.631 -13.001  12.820
   29   2HG1  VAL   5          2HG1      VAL   5  26.751 -14.342  12.088
   30   3HG1  VAL   5          3HG1      VAL   5  28.515 -14.327  12.067
   31   1HG2  VAL   5          1HG2      VAL   5  26.164 -12.022   9.413
   32   2HG2  VAL   5          2HG2      VAL   5  25.469 -13.127  10.598
   33   3HG2  VAL   5          3HG2      VAL   5  26.065 -11.547  11.106
   34    H2   A2G   7           H2       A2G   7  30.702  -3.837   2.474
   35    H4   A2G   7           H4       A2G   7  29.859  -0.376   0.416
   36    H5   A2G   7           H5       A2G   7  27.854  -1.698   0.622
   37    H1   A2G   7           H1       A2G   7  28.630  -4.860   1.854
   38    H3   A2G   7           H3       A2G   7  29.695  -1.007   2.623
   39    HO4  A2G   7           HO4      A2G   7  31.322  -2.800  -0.260
   40   1H6   A2G   7          1H6       A2G   7  29.173  -1.238  -1.860
   41   2H6   A2G   7          2H6       A2G   7  28.487  -2.855  -1.976
   42    HN2  A2G   7           HN2      A2G   7  28.562  -2.688   4.143
   43   1H8   A2G   7          1H8       A2G   7  30.466  -2.847   6.884
   44   2H8   A2G   7          2H8       A2G   7  28.816  -2.789   6.238
   45   3H8   A2G   7          3H8       A2G   7  29.534  -4.344   6.699
   46    H2   A2G  10           H2       A2G  10  23.431  -9.242   5.838
   47    H4   A2G  10           H4       A2G  10  20.624  -8.061   3.117
   48    H5   A2G  10           H5       A2G  10  21.105  -6.202   4.528
   49    H1   A2G  10           H1       A2G  10  23.386  -7.095   6.982
   50    H3   A2G  10           H3       A2G  10  22.920  -7.991   3.119
   51    HO4  A2G  10           HO4      A2G  10  20.550  -9.801   5.444
   52   1H6   A2G  10          1H6       A2G  10  19.066  -7.240   6.401
   53   2H6   A2G  10          2H6       A2G  10  19.006  -5.859   5.322
   54    HN2  A2G  10           HN2      A2G  10  24.960  -7.215   4.319
   55   1H8   A2G  10          1H8       A2G  10  27.013  -8.060   3.623
   56   2H8   A2G  10          2H8       A2G  10  27.520  -7.758   5.294
   57   3H8   A2G  10          3H8       A2G  10  27.770  -9.356   4.567
   58    H2   A2G  13           H2       A2G  13  23.912  -7.570  12.181
   59    H4   A2G  13           H4       A2G  13  22.832  -3.636  12.298
   60    H5   A2G  13           H5       A2G  13  25.041  -3.743  11.436
   61    H1   A2G  13           H1       A2G  13  26.131  -7.046  11.327
   62    H3   A2G  13           H3       A2G  13  22.619  -5.265  10.708
   63    HO4  A2G  13           HO4      A2G  13  23.569  -5.547  14.361
   64   1H6   A2G  13          1H6       A2G  13  26.279  -2.705  13.127
   65   2H6   A2G  13          2H6       A2G  13  24.655  -2.536  13.768
   66    HN2  A2G  13           HN2      A2G  13  23.855  -6.996   9.287
   67   1H8   A2G  13          1H8       A2G  13  22.153  -8.581   8.244
   68   2H8   A2G  13          2H8       A2G  13  23.761  -9.324   8.217
   69   3H8   A2G  13          3H8       A2G  13  22.378 -10.230   8.854
  Start of MODEL   26
    1   1H    ACE   0          1H        ACE   0  -1.031 -11.595 -22.932
    2   2H    ACE   0          2H        ACE   0   0.409 -11.655 -21.910
    3   3H    ACE   0          3H        ACE   0   0.570 -11.715 -23.667
    4    H    SER   1           H        SER   1  -1.375  -9.729 -21.530
    5    HA   SER   1           HA       SER   1   0.164  -7.334 -22.025
    6   1HB   SER   1          1HB       SER   1  -1.568  -6.098 -23.148
    7   2HB   SER   1          2HB       SER   1  -1.353  -7.606 -24.040
    8    H    THR   2           H        THR   2  -0.482  -5.567 -20.690
    9    HA   THR   2           HA       THR   2  -1.986  -6.427 -18.329
   10    HB   THR   2           HB       THR   2  -1.005  -4.223 -17.391
   11   1HG2  THR   2          1HG2      THR   2   0.072  -6.794 -17.528
   12   2HG2  THR   2          2HG2      THR   2   1.397  -5.694 -17.911
   13   3HG2  THR   2          3HG2      THR   2   0.499  -5.503 -16.405
   14    H    THR   3           H        THR   3  -2.752  -3.935 -17.318
   15    HA   THR   3           HA       THR   3  -4.965  -3.272 -19.115
   16    HB   THR   3           HB       THR   3  -5.865  -2.231 -16.938
   17   1HG2  THR   3          1HG2      THR   3  -6.787  -4.207 -16.185
   18   2HG2  THR   3          2HG2      THR   3  -6.379  -4.599 -17.857
   19   3HG2  THR   3          3HG2      THR   3  -5.330  -5.136 -16.542
   20    H    ALA   4           H        ALA   4  -5.753  -0.906 -18.747
   21    HA   ALA   4           HA       ALA   4  -3.629   0.991 -18.271
   22   1HB   ALA   4          1HB       ALA   4  -3.131   1.555 -20.379
   23   2HB   ALA   4          2HB       ALA   4  -3.955   0.073 -20.864
   24   3HB   ALA   4          3HB       ALA   4  -4.829   1.603 -20.851
   25    H    VAL   5           H        VAL   5  -4.572   2.462 -17.027
   26    HA   VAL   5           HA       VAL   5  -7.055   3.711 -17.883
   27    HB   VAL   5           HB       VAL   5  -7.822   3.564 -15.377
   28   1HG1  VAL   5          1HG1      VAL   5  -9.401   2.054 -16.024
   29   2HG1  VAL   5          2HG1      VAL   5  -8.750   2.496 -17.602
   30   3HG1  VAL   5          3HG1      VAL   5  -8.235   1.000 -16.821
   31   1HG2  VAL   5          1HG2      VAL   5  -6.396   0.916 -15.575
   32   2HG2  VAL   5          2HG2      VAL   5  -5.677   2.312 -14.772
   33   3HG2  VAL   5          3HG2      VAL   5  -7.190   1.633 -14.174
   34    H2   A2G   7           H2       A2G   7  -6.008  -7.316 -24.292
   35    H4   A2G   7           H4       A2G   7  -4.631 -11.175 -24.045
   36    H5   A2G   7           H5       A2G   7  -2.791  -9.628 -23.639
   37    H1   A2G   7           H1       A2G   7  -3.806  -6.386 -24.421
   38    H3   A2G   7           H3       A2G   7  -5.301  -9.622 -22.479
   39    HO4  A2G   7           HO4      A2G   7  -5.386  -9.469 -26.277
   40   1H6   A2G   7          1H6       A2G   7  -2.064  -9.762 -26.421
   41   2H6   A2G   7          2H6       A2G   7  -1.503 -10.777 -25.107
   42    HN2  A2G   7           HN2      A2G   7  -4.844  -7.280 -21.585
   43   1H8   A2G   7          1H8       A2G   7  -6.639  -4.832 -20.705
   44   2H8   A2G   7          2H8       A2G   7  -7.729  -6.157 -20.261
   45   3H8   A2G   7          3H8       A2G   7  -5.979  -6.345 -20.058
   46    H2   A2G  10           H2       A2G  10   0.213  -0.754 -19.588
   47    H4   A2G  10           H4       A2G  10   3.648  -2.765 -20.300
   48    H5   A2G  10           H5       A2G  10   2.406  -4.030 -18.704
   49    H1   A2G  10           H1       A2G  10  -0.598  -2.432 -18.000
   50    H3   A2G  10           H3       A2G  10   1.569  -2.888 -21.276
   51    HO4  A2G  10           HO4      A2G  10   3.047  -0.366 -18.786
   52   1H6   A2G  10          1H6       A2G  10   3.317  -2.943 -16.391
   53   2H6   A2G  10          2H6       A2G  10   4.339  -3.870 -17.468
   54    HN2  A2G  10           HN2      A2G  10  -0.936  -3.109 -20.954
   55   1H8   A2G  10          1H8       A2G  10  -3.658  -1.846 -21.371
   56   2H8   A2G  10          2H8       A2G  10  -2.977  -1.011 -22.781
   57   3H8   A2G  10          3H8       A2G  10  -2.485  -2.675 -22.414
   58    H2   A2G  13           H2       A2G  13  -3.706  -0.875 -13.444
   59    H4   A2G  13           H4       A2G  13  -3.451  -4.878 -12.521
   60    H5   A2G  13           H5       A2G  13  -4.797  -4.642 -14.454
   61    H1   A2G  13           H1       A2G  13  -5.238  -1.309 -15.264
   62    H3   A2G  13           H3       A2G  13  -2.168  -3.448 -13.767
   63    HO4  A2G  13           HO4      A2G  13  -4.756  -2.627 -11.231
   64   1H6   A2G  13          1H6       A2G  13  -5.875  -5.619 -12.184
   65   2H6   A2G  13          2H6       A2G  13  -7.003  -4.297 -12.436
   66    HN2  A2G  13           HN2      A2G  13  -2.015  -2.050 -15.557
   67   1H8   A2G  13          1H8       A2G  13  -0.689  -0.743 -16.549
   68   2H8   A2G  13          2H8       A2G  13  -1.553   0.705 -17.096
   69   3H8   A2G  13          3H8       A2G  13  -0.339   0.830 -15.810
  Start of MODEL   27
    1   1H    ACE   0          1H        ACE   0  33.441  26.769 -11.537
    2   2H    ACE   0          2H        ACE   0  31.932  25.899 -11.245
    3   3H    ACE   0          3H        ACE   0  33.398  25.442 -10.372
    4    H    SER   1           H        SER   1  31.726  25.703  -8.666
    5    HA   SER   1           HA       SER   1  32.212  28.176  -7.273
    6   1HB   SER   1          1HB       SER   1  29.838  28.727  -6.943
    7   2HB   SER   1          2HB       SER   1  30.248  28.745  -8.660
    8    H    THR   2           H        THR   2  30.406  28.000  -5.239
    9    HA   THR   2           HA       THR   2  31.218  25.510  -3.938
   10    HB   THR   2           HB       THR   2  30.226  26.798  -1.891
   11   1HG2  THR   2          1HG2      THR   2  32.431  28.469  -2.615
   12   2HG2  THR   2          2HG2      THR   2  32.314  27.230  -1.363
   13   3HG2  THR   2          3HG2      THR   2  32.772  26.782  -3.006
   14    H    THR   3           H        THR   3  29.028  25.588  -1.973
   15    HA   THR   3           HA       THR   3  26.958  24.365  -3.618
   16    HB   THR   3           HB       THR   3  26.245  23.535  -1.248
   17   1HG2  THR   3          1HG2      THR   3  27.646  22.333  -3.151
   18   2HG2  THR   3          2HG2      THR   3  28.910  22.443  -1.922
   19   3HG2  THR   3          3HG2      THR   3  27.398  21.606  -1.561
   20    H    ALA   4           H        ALA   4  24.750  24.856  -3.288
   21    HA   ALA   4           HA       ALA   4  24.327  27.574  -2.451
   22   1HB   ALA   4          1HB       ALA   4  23.352  26.451  -4.551
   23   2HB   ALA   4          2HB       ALA   4  22.189  25.708  -3.452
   24   3HB   ALA   4          3HB       ALA   4  22.275  27.465  -3.593
   25    H    VAL   5           H        VAL   5  21.453  26.798  -1.801
   26    HA   VAL   5           HA       VAL   5  21.748  25.485   0.777
   27    HB   VAL   5           HB       VAL   5  20.376  27.406   1.834
   28   1HG1  VAL   5          1HG1      VAL   5  22.758  26.787   2.334
   29   2HG1  VAL   5          2HG1      VAL   5  23.249  28.030   1.182
   30   3HG1  VAL   5          3HG1      VAL   5  22.341  28.474   2.628
   31   1HG2  VAL   5          1HG2      VAL   5  20.756  29.622   0.901
   32   2HG2  VAL   5          2HG2      VAL   5  21.671  28.927  -0.438
   33   3HG2  VAL   5          3HG2      VAL   5  19.944  28.602  -0.285
   34    H2   A2G   7           H2       A2G   7  25.985  26.829  -8.931
   35    H4   A2G   7           H4       A2G   7  28.588  26.039 -12.004
   36    H5   A2G   7           H5       A2G   7  29.788  27.183 -10.239
   37    H1   A2G   7           H1       A2G   7  27.497  28.336  -7.852
   38    H3   A2G   7           H3       A2G   7  28.055  24.955 -10.048
   39    HO4  A2G   7           HO4      A2G   7  26.485  28.024 -11.685
   40   1H6   A2G   7          1H6       A2G   7  30.287  29.319 -11.320
   41   2H6   A2G   7          2H6       A2G   7  29.979  28.133 -12.580
   42    HN2  A2G   7           HN2      A2G   7  28.042  25.265  -7.504
   43   1H8   A2G   7          1H8       A2G   7  27.331  23.696  -6.212
   44   2H8   A2G   7          2H8       A2G   7  26.046  24.433  -5.239
   45   3H8   A2G   7          3H8       A2G   7  25.664  23.108  -6.350
   46    H2   A2G  10           H2       A2G  10  27.342  29.949  -1.941
   47    H4   A2G  10           H4       A2G  10  30.470  32.408  -2.819
   48    H5   A2G  10           H5       A2G  10  31.342  30.242  -2.385
   49    H1   A2G  10           H1       A2G  10  28.808  28.050  -1.505
   50    H3   A2G  10           H3       A2G  10  29.171  31.027  -4.116
   51    HO4  A2G  10           HO4      A2G  10  28.653  32.166  -0.560
   52   1H6   A2G  10          1H6       A2G  10  31.820  32.319  -0.635
   53   2H6   A2G  10          2H6       A2G  10  31.365  31.041   0.480
   54    HN2  A2G  10           HN2      A2G  10  28.251  28.747  -4.481
   55   1H8   A2G  10          1H8       A2G  10  26.059  28.761  -5.993
   56   2H8   A2G  10          2H8       A2G  10  26.499  27.229  -5.218
   57   3H8   A2G  10          3H8       A2G  10  24.849  27.859  -5.063
   58    H2   A2G  13           H2       A2G  13  27.323  25.251   2.555
   59    H4   A2G  13           H4       A2G  13  30.955  23.554   1.890
   60    H5   A2G  13           H5       A2G  13  29.466  22.683   0.274
   61    H1   A2G  13           H1       A2G  13  26.326  24.114   0.626
   62    H3   A2G  13           H3       A2G  13  29.990  25.480   1.131
   63    HO4  A2G  13           HO4      A2G  13  28.946  23.143   3.942
   64   1H6   A2G  13          1H6       A2G  13  28.727  20.436   1.211
   65   2H6   A2G  13          2H6       A2G  13  30.418  20.822   1.466
   66    HN2  A2G  13           HN2      A2G  13  28.045  26.584   0.016
   67   1H8   A2G  13          1H8       A2G  13  26.915  29.582   1.346
   68   2H8   A2G  13          2H8       A2G  13  27.597  28.737  -0.051
   69   3H8   A2G  13          3H8       A2G  13  25.853  28.700   0.236
  Start of MODEL   28
    1   1H    ACE   0          1H        ACE   0   0.066 -19.856 -22.825
    2   2H    ACE   0          2H        ACE   0  -1.565 -20.501 -22.615
    3   3H    ACE   0          3H        ACE   0  -0.454 -20.447 -21.243
    4    H    SER   1           H        SER   1  -1.490 -18.217 -23.756
    5    HA   SER   1           HA       SER   1  -1.574 -15.990 -21.927
    6   1HB   SER   1          1HB       SER   1  -2.111 -14.645 -23.879
    7   2HB   SER   1          2HB       SER   1  -0.795 -15.749 -24.282
    8    H    THR   2           H        THR   2  -3.559 -14.453 -22.264
    9    HA   THR   2           HA       THR   2  -5.913 -15.990 -21.453
   10    HB   THR   2           HB       THR   2  -6.711 -13.594 -20.829
   11   1HG2  THR   2          1HG2      THR   2  -4.465 -13.819 -19.099
   12   2HG2  THR   2          2HG2      THR   2  -6.161 -14.180 -18.775
   13   3HG2  THR   2          3HG2      THR   2  -5.103 -15.431 -19.429
   14    H    THR   3           H        THR   3  -7.903 -14.062 -22.045
   15    HA   THR   3           HA       THR   3  -8.115 -14.408 -24.943
   16    HB   THR   3           HB       THR   3 -10.565 -13.854 -24.454
   17   1HG2  THR   3          1HG2      THR   3  -9.595 -16.213 -24.637
   18   2HG2  THR   3          2HG2      THR   3  -9.672 -16.234 -22.875
   19   3HG2  THR   3          3HG2      THR   3 -11.146 -16.020 -23.819
   20    H    ALA   4           H        ALA   4  -8.802 -12.670 -26.264
   21    HA   ALA   4           HA       ALA   4  -7.907 -10.107 -25.306
   22   1HB   ALA   4          1HB       ALA   4  -7.845  -9.434 -27.567
   23   2HB   ALA   4          2HB       ALA   4  -7.352 -11.127 -27.588
   24   3HB   ALA   4          3HB       ALA   4  -8.993 -10.680 -28.054
   25    H    VAL   5           H        VAL   5  -9.814  -8.868 -27.361
   26    HA   VAL   5           HA       VAL   5 -11.949  -8.339 -25.452
   27    HB   VAL   5           HB       VAL   5 -11.403  -7.013 -28.122
   28   1HG1  VAL   5          1HG1      VAL   5 -13.270  -6.332 -25.860
   29   2HG1  VAL   5          2HG1      VAL   5 -12.804  -5.178 -27.110
   30   3HG1  VAL   5          3HG1      VAL   5 -13.672  -6.649 -27.546
   31   1HG2  VAL   5          1HG2      VAL   5 -10.669  -6.122 -25.327
   32   2HG2  VAL   5          2HG2      VAL   5  -9.545  -6.689 -26.563
   33   3HG2  VAL   5          3HG2      VAL   5 -10.433  -5.183 -26.800
   34    H2   A2G   7           H2       A2G   7  -3.637 -15.428 -28.133
   35    H4   A2G   7           H4       A2G   7  -0.801 -18.398 -28.147
   36    H5   A2G   7           H5       A2G   7  -0.843 -17.329 -25.969
   37    H1   A2G   7           H1       A2G   7  -2.807 -14.449 -26.116
   38    H3   A2G   7           H3       A2G   7  -2.999 -18.292 -27.449
   39    HO4  A2G   7           HO4      A2G   7  -0.917 -15.739 -29.329
   40   1H6   A2G   7          1H6       A2G   7   1.405 -17.065 -26.000
   41   2H6   A2G   7          2H6       A2G   7   1.364 -17.164 -27.748
   42    HN2  A2G   7           HN2      A2G   7  -4.567 -17.041 -25.849
   43   1H8   A2G   7          1H8       A2G   7  -7.498 -17.530 -27.093
   44   2H8   A2G   7          2H8       A2G   7  -6.650 -17.181 -25.575
   45   3H8   A2G   7          3H8       A2G   7  -7.658 -15.935 -26.335
   46    H2   A2G  10           H2       A2G  10  -5.420  -9.786 -22.293
   47    H4   A2G  10           H4       A2G  10  -2.096 -10.227 -20.003
   48    H5   A2G  10           H5       A2G  10  -3.559 -12.084 -19.559
   49    H1   A2G  10           H1       A2G  10  -6.541 -11.714 -21.306
   50    H3   A2G  10           H3       A2G  10  -2.688 -11.107 -22.051
   51    HO4  A2G  10           HO4      A2G  10  -4.422  -8.492 -19.824
   52   1H6   A2G  10          1H6       A2G  10  -4.885 -10.757 -17.430
   53   2H6   A2G  10          2H6       A2G  10  -3.366 -11.627 -17.353
   54    HN2  A2G  10           HN2      A2G  10  -4.329 -12.279 -23.458
   55   1H8   A2G  10          1H8       A2G  10  -4.249 -12.146 -25.777
   56   2H8   A2G  10          2H8       A2G  10  -5.976 -12.538 -25.686
   57   3H8   A2G  10          3H8       A2G  10  -5.436 -11.126 -26.612
   58    H2   A2G  13           H2       A2G  13 -12.066 -11.413 -21.150
   59    H4   A2G  13           H4       A2G  13 -11.969 -15.029 -19.249
   60    H5   A2G  13           H5       A2G  13 -11.481 -15.413 -21.517
   61    H1   A2G  13           H1       A2G  13 -11.450 -12.440 -23.288
   62    H3   A2G  13           H3       A2G  13 -10.415 -13.382 -19.560
   63    HO4  A2G  13           HO4      A2G  13 -14.111 -13.174 -19.886
   64   1H6   A2G  13          1H6       A2G  13 -13.918 -16.252 -20.562
   65   2H6   A2G  13          2H6       A2G  13 -14.413 -15.400 -22.019
   66    HN2  A2G  13           HN2      A2G  13  -9.181 -12.008 -20.993
   67   1H8   A2G  13          1H8       A2G  13  -8.624  -8.574 -20.895
   68   2H8   A2G  13          2H8       A2G  13  -7.935 -10.200 -20.747
   69   3H8   A2G  13          3H8       A2G  13  -8.206  -9.493 -22.348
  Start of MODEL   29
    1   1H    ACE   0          1H        ACE   0  -2.680  38.276  -7.260
    2   2H    ACE   0          2H        ACE   0  -4.348  38.257  -7.842
    3   3H    ACE   0          3H        ACE   0  -3.700  39.705  -7.065
    4    H    SER   1           H        SER   1  -4.692  40.463  -9.136
    5    HA   SER   1           HA       SER   1  -3.127  40.122 -11.542
    6   1HB   SER   1          1HB       SER   1  -4.711  41.910 -12.423
    7   2HB   SER   1          2HB       SER   1  -5.481  40.427 -11.857
    8    H    THR   2           H        THR   2  -2.705  42.380 -12.750
    9    HA   THR   2           HA       THR   2  -0.850  43.813 -11.004
   10    HB   THR   2           HB       THR   2  -0.231  44.861 -13.337
   11   1HG2  THR   2          1HG2      THR   2   1.522  43.450 -13.490
   12   2HG2  THR   2          2HG2      THR   2   0.968  42.988 -11.880
   13   3HG2  THR   2          3HG2      THR   2   0.526  42.008 -13.279
   14    H    THR   3           H        THR   3  -0.589  46.225 -12.225
   15    HA   THR   3           HA       THR   3  -3.144  47.515 -11.611
   16    HB   THR   3           HB       THR   3  -1.589  49.546 -11.415
   17   1HG2  THR   3          1HG2      THR   3  -2.352  48.279  -9.424
   18   2HG2  THR   3          2HG2      THR   3  -0.925  47.251  -9.589
   19   3HG2  THR   3          3HG2      THR   3  -0.738  48.971  -9.244
   20    H    ALA   4           H        ALA   4  -3.994  49.062 -13.020
   21    HA   ALA   4           HA       ALA   4  -2.603  49.674 -15.465
   22   1HB   ALA   4          1HB       ALA   4  -5.083  47.969 -15.451
   23   2HB   ALA   4          2HB       ALA   4  -4.594  48.908 -16.862
   24   3HB   ALA   4          3HB       ALA   4  -3.534  47.649 -16.229
   25    H    VAL   5           H        VAL   5  -2.851  51.818 -15.546
   26    HA   VAL   5           HA       VAL   5  -5.532  52.954 -15.453
   27    HB   VAL   5           HB       VAL   5  -4.589  54.853 -13.963
   28   1HG1  VAL   5          1HG1      VAL   5  -5.443  53.825 -12.001
   29   2HG1  VAL   5          2HG1      VAL   5  -6.360  53.181 -13.363
   30   3HG1  VAL   5          3HG1      VAL   5  -5.092  52.211 -12.613
   31   1HG2  VAL   5          1HG2      VAL   5  -2.897  54.158 -12.339
   32   2HG2  VAL   5          2HG2      VAL   5  -2.732  52.604 -13.158
   33   3HG2  VAL   5          3HG2      VAL   5  -2.251  54.091 -13.978
   34    H2   A2G   7           H2       A2G   7  -6.777  45.186 -10.687
   35    H4   A2G   7           H4       A2G   7  -9.446  42.615  -8.962
   36    H5   A2G   7           H5       A2G   7  -7.816  41.321 -10.206
   37    H1   A2G   7           H1       A2G   7  -5.815  43.495 -12.088
   38    H3   A2G   7           H3       A2G   7  -7.360  43.376  -8.347
   39    HO4  A2G   7           HO4      A2G   7  -9.606  44.389 -11.262
   40   1H6   A2G   7          1H6       A2G   7  -9.271  40.289 -11.740
   41   2H6   A2G   7          2H6       A2G   7 -10.419  41.167 -10.746
   42    HN2  A2G   7           HN2      A2G   7  -4.911  43.565  -9.086
   43   1H8   A2G   7          1H8       A2G   7  -2.795  46.091  -8.971
   44   2H8   A2G   7          2H8       A2G   7  -3.743  46.129  -7.473
   45   3H8   A2G   7          3H8       A2G   7  -3.291  44.574  -8.197
   46    H2   A2G  10           H2       A2G  10  -2.231  44.622 -17.129
   47    H4   A2G  10           H4       A2G  10  -1.198  40.668 -17.112
   48    H5   A2G  10           H5       A2G  10  -0.153  41.703 -15.259
   49    H1   A2G  10           H1       A2G  10  -0.824  45.103 -15.195
   50    H3   A2G  10           H3       A2G  10  -2.921  41.842 -16.146
   51    HO4  A2G  10           HO4      A2G  10  -0.523  42.910 -18.828
   52   1H6   A2G  10          1H6       A2G  10   2.012  42.334 -17.235
   53   2H6   A2G  10          2H6       A2G  10   2.057  41.346 -15.789
   54    HN2  A2G  10           HN2      A2G  10  -3.528  43.723 -14.630
   55   1H8   A2G  10          1H8       A2G  10  -5.602  44.378 -14.373
   56   2H8   A2G  10          2H8       A2G  10  -5.286  46.125 -14.338
   57   3H8   A2G  10          3H8       A2G  10  -6.393  45.446 -15.548
   58    H2   A2G  13           H2       A2G  13   2.365  50.286 -13.018
   59    H4   A2G  13           H4       A2G  13   3.696  47.547 -10.259
   60    H5   A2G  13           H5       A2G  13   1.346  47.880  -9.969
   61    H1   A2G  13           H1       A2G  13   0.159  50.367 -12.037
   62    H3   A2G  13           H3       A2G  13   2.833  47.381 -12.374
   63    HO4  A2G  13           HO4      A2G  13   4.139  50.389 -10.634
   64   1H6   A2G  13          1H6       A2G  13   2.568  49.976  -8.131
   65   2H6   A2G  13          2H6       A2G  13   1.202  48.942  -7.816
   66    HN2  A2G  13           HN2      A2G  13   0.820  47.906 -13.800
   67   1H8   A2G  13          1H8       A2G  13   1.181  47.332 -16.039
   68   2H8   A2G  13          2H8       A2G  13   0.073  48.682 -16.350
   69   3H8   A2G  13          3H8       A2G  13   1.643  48.616 -17.172
  Start of MODEL   30
    1   1H    ACE   0          1H        ACE   0  25.017  34.325 -11.419
    2   2H    ACE   0          2H        ACE   0  23.373  33.700 -11.262
    3   3H    ACE   0          3H        ACE   0  23.988  34.872 -10.092
    4    H    SER   1           H        SER   1  23.735  34.500 -13.582
    5    HA   SER   1           HA       SER   1  22.170  36.907 -13.886
    6   1HB   SER   1          1HB       SER   1  23.749  38.093 -15.268
    7   2HB   SER   1          2HB       SER   1  24.578  37.671 -13.764
    8    H    THR   2           H        THR   2  21.462  37.247 -16.117
    9    HA   THR   2           HA       THR   2  21.287  34.698 -17.551
   10    HB   THR   2           HB       THR   2  19.516  36.022 -18.892
   11   1HG2  THR   2          1HG2      THR   2  19.181  35.289 -16.014
   12   2HG2  THR   2          2HG2      THR   2  17.847  35.919 -16.981
   13   3HG2  THR   2          3HG2      THR   2  18.647  34.421 -17.455
   14    H    THR   3           H        THR   3  20.735  35.744 -20.139
   15    HA   THR   3           HA       THR   3  23.439  36.548 -20.922
   16    HB   THR   3           HB       THR   3  22.514  35.814 -23.218
   17   1HG2  THR   3          1HG2      THR   3  22.952  33.962 -20.912
   18   2HG2  THR   3          2HG2      THR   3  22.504  33.335 -22.498
   19   3HG2  THR   3          3HG2      THR   3  23.986  34.272 -22.308
   20    H    ALA   4           H        ALA   4  23.450  37.863 -23.036
   21    HA   ALA   4           HA       ALA   4  21.255  39.709 -23.332
   22   1HB   ALA   4          1HB       ALA   4  23.349  40.405 -21.608
   23   2HB   ALA   4          2HB       ALA   4  23.654  41.303 -23.093
   24   3HB   ALA   4          3HB       ALA   4  22.109  41.474 -22.259
   25    H    VAL   5           H        VAL   5  20.981  39.871 -25.458
   26    HA   VAL   5           HA       VAL   5  23.271  40.341 -27.203
   27    HB   VAL   5           HB       VAL   5  21.287  38.132 -27.813
   28   1HG1  VAL   5          1HG1      VAL   5  22.074  39.100 -29.833
   29   2HG1  VAL   5          2HG1      VAL   5  23.737  39.137 -29.246
   30   3HG1  VAL   5          3HG1      VAL   5  22.962  37.594 -29.608
   31   1HG2  VAL   5          1HG2      VAL   5  22.709  37.383 -26.014
   32   2HG2  VAL   5          2HG2      VAL   5  23.233  36.602 -27.506
   33   3HG2  VAL   5          3HG2      VAL   5  24.147  37.961 -26.852
   34    H2   A2G   7           H2       A2G   7  28.016  36.664 -16.832
   35    H4   A2G   7           H4       A2G   7  28.291  35.165 -12.963
   36    H5   A2G   7           H5       A2G   7  26.066  36.085 -13.421
   37    H1   A2G   7           H1       A2G   7  26.157  38.038 -16.272
   38    H3   A2G   7           H3       A2G   7  27.509  34.356 -14.984
   39    HO4  A2G   7           HO4      A2G   7  29.403  37.513 -14.292
   40   1H6   A2G   7          1H6       A2G   7  26.769  36.634 -11.204
   41   2H6   A2G   7          2H6       A2G   7  27.881  37.875 -11.732
   42    HN2  A2G   7           HN2      A2G   7  25.879  34.638 -16.577
   43   1H8   A2G   7          1H8       A2G   7  25.209  33.729 -18.354
   44   2H8   A2G   7          2H8       A2G   7  24.943  34.912 -19.647
   45   3H8   A2G   7          3H8       A2G   7  26.297  33.772 -19.754
   46    H2   A2G  10           H2       A2G  10  19.215  40.271 -19.417
   47    H4   A2G  10           H4       A2G  10  17.400  40.227 -15.792
   48    H5   A2G  10           H5       A2G  10  17.673  37.963 -16.454
   49    H1   A2G  10           H1       A2G  10  19.251  37.828 -19.559
   50    H3   A2G  10           H3       A2G  10  19.614  40.192 -16.406
   51    HO4  A2G  10           HO4      A2G  10  16.473  40.854 -18.473
   52   1H6   A2G  10          1H6       A2G  10  15.437  37.276 -17.317
   53   2H6   A2G  10          2H6       A2G  10  15.295  38.467 -16.036
   54    HN2  A2G  10           HN2      A2G  10  21.405  39.116 -17.801
   55   1H8   A2G  10          1H8       A2G  10  23.519  39.487 -19.932
   56   2H8   A2G  10          2H8       A2G  10  23.638  41.185 -19.424
   57   3H8   A2G  10          3H8       A2G  10  23.384  39.914 -18.213
   58    H2   A2G  13           H2       A2G  13  18.388  35.636 -24.507
   59    H4   A2G  13           H4       A2G  13  18.306  32.035 -22.542
   60    H5   A2G  13           H5       A2G  13  20.513  32.935 -22.416
   61    H1   A2G  13           H1       A2G  13  20.772  35.868 -24.222
   62    H3   A2G  13           H3       A2G  13  18.015  34.199 -21.864
   63    HO4  A2G  13           HO4      A2G  13  18.160  32.805 -25.347
   64   1H6   A2G  13          1H6       A2G  13  19.937  30.683 -24.078
   65   2H6   A2G  13          2H6       A2G  13  21.242  31.556 -24.861
   66    HN2  A2G  13           HN2      A2G  13  18.975  36.482 -21.730
   67   1H8   A2G  13          1H8       A2G  13  16.914  38.449 -21.394
   68   2H8   A2G  13          2H8       A2G  13  18.660  38.734 -21.473
   69   3H8   A2G  13          3H8       A2G  13  17.571  39.614 -22.557
  Start of MODEL   31
    1   1H    ACE   0          1H        ACE   0 -15.803 -10.371 -31.929
    2   2H    ACE   0          2H        ACE   0 -14.863  -8.992 -32.509
    3   3H    ACE   0          3H        ACE   0 -16.476  -9.299 -33.161
    4    H    SER   1           H        SER   1 -16.770  -7.072 -32.587
    5    HA   SER   1           HA       SER   1 -16.970  -6.340 -29.800
    6   1HB   SER   1          1HB       SER   1 -17.718  -4.178 -30.628
    7   2HB   SER   1          2HB       SER   1 -16.334  -4.708 -31.589
    8    H    THR   2           H        THR   2 -18.988  -5.384 -28.928
    9    HA   THR   2           HA       THR   2 -21.262  -7.116 -29.561
   10    HB   THR   2           HB       THR   2 -22.124  -6.077 -27.348
   11   1HG2  THR   2          1HG2      THR   2 -21.239  -7.759 -26.131
   12   2HG2  THR   2          2HG2      THR   2 -20.837  -8.348 -27.743
   13   3HG2  THR   2          3HG2      THR   2 -19.613  -7.524 -26.776
   14    H    THR   3           H        THR   3 -23.297  -5.438 -28.462
   15    HA   THR   3           HA       THR   3 -23.620  -3.525 -30.652
   16    HB   THR   3           HB       THR   3 -26.055  -3.610 -29.792
   17   1HG2  THR   3          1HG2      THR   3 -24.850  -6.152 -30.862
   18   2HG2  THR   3          2HG2      THR   3 -26.558  -5.716 -30.901
   19   3HG2  THR   3          3HG2      THR   3 -25.387  -4.779 -31.830
   20    H    ALA   4           H        ALA   4 -24.539  -1.416 -30.181
   21    HA   ALA   4           HA       ALA   4 -23.525  -0.372 -27.693
   22   1HB   ALA   4          1HB       ALA   4 -23.793   1.788 -28.655
   23   2HB   ALA   4          2HB       ALA   4 -23.210   0.744 -29.951
   24   3HB   ALA   4          3HB       ALA   4 -24.916   1.184 -29.873
   25    H    VAL   5           H        VAL   5 -25.660   1.811 -27.927
   26    HA   VAL   5           HA       VAL   5 -28.033   0.426 -26.978
   27    HB   VAL   5           HB       VAL   5 -26.790   0.636 -24.918
   28   1HG1  VAL   5          1HG1      VAL   5 -25.298   2.478 -25.692
   29   2HG1  VAL   5          2HG1      VAL   5 -26.616   3.608 -25.380
   30   3HG1  VAL   5          3HG1      VAL   5 -25.915   2.680 -24.054
   31   1HG2  VAL   5          1HG2      VAL   5 -29.267   1.160 -24.972
   32   2HG2  VAL   5          2HG2      VAL   5 -28.383   1.778 -23.577
   33   3HG2  VAL   5          3HG2      VAL   5 -28.823   2.864 -24.895
   34    H2   A2G   7           H2       A2G   7 -19.958  -2.625 -34.209
   35    H4   A2G   7           H4       A2G   7 -16.720  -4.047 -36.243
   36    H5   A2G   7           H5       A2G   7 -16.394  -4.500 -33.898
   37    H1   A2G   7           H1       A2G   7 -18.950  -2.994 -32.048
   38    H3   A2G   7           H3       A2G   7 -18.653  -5.020 -35.509
   39    HO4  A2G   7           HO4      A2G   7 -17.551  -1.364 -35.497
   40   1H6   A2G   7          1H6       A2G   7 -14.593  -2.956 -33.329
   41   2H6   A2G   7          2H6       A2G   7 -14.547  -3.219 -35.068
   42    HN2  A2G   7           HN2      A2G   7 -20.164  -5.474 -33.471
   43   1H8   A2G   7          1H8       A2G   7 -22.212  -6.053 -32.850
   44   2H8   A2G   7          2H8       A2G   7 -23.613  -5.023 -33.190
   45   3H8   A2G   7          3H8       A2G   7 -22.901  -6.002 -34.483
   46    H2   A2G  10           H2       A2G  10 -21.020  -2.386 -25.459
   47    H4   A2G  10           H4       A2G  10 -17.739  -4.426 -24.143
   48    H5   A2G  10           H5       A2G  10 -19.146  -5.969 -25.300
   49    H1   A2G  10           H1       A2G  10 -22.056  -4.404 -26.339
   50    H3   A2G  10           H3       A2G  10 -18.207  -3.329 -26.099
   51    HO4  A2G  10           HO4      A2G  10 -20.100  -3.378 -22.809
   52   1H6   A2G  10          1H6       A2G  10 -20.039  -7.343 -23.528
   53   2H6   A2G  10          2H6       A2G  10 -18.594  -6.566 -22.900
   54    HN2  A2G  10           HN2      A2G  10 -19.753  -3.131 -28.032
   55   1H8   A2G  10          1H8       A2G  10 -21.563  -0.540 -29.530
   56   2H8   A2G  10          2H8       A2G  10 -19.809  -0.480 -29.290
   57   3H8   A2G  10          3H8       A2G  10 -20.587  -1.999 -29.770
   58    H2   A2G  13           H2       A2G  13 -27.370  -4.717 -25.784
   59    H4   A2G  13           H4       A2G  13 -27.097  -8.500 -27.318
   60    H5   A2G  13           H5       A2G  13 -26.710  -6.973 -29.077
   61    H1   A2G  13           H1       A2G  13 -26.908  -3.713 -27.962
   62    H3   A2G  13           H3       A2G  13 -25.593  -7.109 -26.315
   63    HO4  A2G  13           HO4      A2G  13 -29.330  -6.914 -26.357
   64   1H6   A2G  13          1H6       A2G  13 -29.644  -6.779 -29.439
   65   2H6   A2G  13          2H6       A2G  13 -28.447  -7.541 -30.462
   66    HN2  A2G  13           HN2      A2G  13 -24.496  -4.797 -26.447
   67   1H8   A2G  13          1H8       A2G  13 -23.487  -2.892 -25.145
   68   2H8   A2G  13          2H8       A2G  13 -23.929  -2.954 -23.431
   69   3H8   A2G  13          3H8       A2G  13 -23.233  -4.380 -24.218
  Start of MODEL   32
    1   1H    ACE   0          1H        ACE   0   9.554 -32.709 -30.516
    2   2H    ACE   0          2H        ACE   0  11.131 -33.234 -29.916
    3   3H    ACE   0          3H        ACE   0  11.032 -32.096 -31.263
    4    H    SER   1           H        SER   1  12.532 -31.005 -29.789
    5    HA   SER   1           HA       SER   1  11.437 -29.684 -27.470
    6   1HB   SER   1          1HB       SER   1  13.620 -28.701 -27.207
    7   2HB   SER   1          2HB       SER   1  13.846 -30.390 -27.666
    8    H    THR   2           H        THR   2  11.191 -27.429 -27.211
    9    HA   THR   2           HA       THR   2  10.363 -26.071 -29.668
   10    HB   THR   2           HB       THR   2   9.398 -24.406 -27.957
   11   1HG2  THR   2          1HG2      THR   2   7.646 -25.588 -28.743
   12   2HG2  THR   2          2HG2      THR   2   8.438 -27.144 -28.490
   13   3HG2  THR   2          3HG2      THR   2   7.696 -26.301 -27.129
   14    H    THR   3           H        THR   3  10.539 -23.438 -28.919
   15    HA   THR   3           HA       THR   3  13.431 -22.977 -28.956
   16    HB   THR   3           HB       THR   3  12.607 -20.693 -29.848
   17   1HG2  THR   3          1HG2      THR   3  12.379 -21.466 -32.070
   18   2HG2  THR   3          2HG2      THR   3  13.496 -22.575 -31.272
   19   3HG2  THR   3          3HG2      THR   3  11.814 -23.047 -31.528
   20    H    ALA   4           H        ALA   4  13.880 -20.595 -28.138
   21    HA   ALA   4           HA       ALA   4  12.336 -19.845 -25.821
   22   1HB   ALA   4          1HB       ALA   4  13.593 -20.802 -24.249
   23   2HB   ALA   4          2HB       ALA   4  14.562 -21.573 -25.505
   24   3HB   ALA   4          3HB       ALA   4  15.028 -19.993 -24.875
   25    H    VAL   5           H        VAL   5  12.203 -17.706 -25.931
   26    HA   VAL   5           HA       VAL   5  14.240 -16.187 -27.361
   27    HB   VAL   5           HB       VAL   5  11.615 -15.222 -26.194
   28   1HG1  VAL   5          1HG1      VAL   5  13.087 -13.373 -26.498
   29   2HG1  VAL   5          2HG1      VAL   5  13.579 -13.947 -28.091
   30   3HG1  VAL   5          3HG1      VAL   5  11.938 -13.354 -27.834
   31   1HG2  VAL   5          1HG2      VAL   5  10.867 -15.269 -28.601
   32   2HG2  VAL   5          2HG2      VAL   5  12.321 -16.200 -28.962
   33   3HG2  VAL   5          3HG2      VAL   5  11.104 -16.853 -27.864
   34    H2   A2G   7           H2       A2G   7  17.334 -28.166 -29.931
   35    H4   A2G   7           H4       A2G   7  16.063 -31.640 -31.729
   36    H5   A2G   7           H5       A2G   7  14.588 -31.115 -29.886
   37    H1   A2G   7           H1       A2G   7  15.900 -28.466 -28.043
   38    H3   A2G   7           H3       A2G   7  15.518 -29.439 -31.977
   39    HO4  A2G   7           HO4      A2G   7  18.292 -31.058 -29.956
   40   1H6   A2G   7          1H6       A2G   7  15.210 -32.869 -28.227
   41   2H6   A2G   7          2H6       A2G   7  15.414 -33.442 -29.877
   42    HN2  A2G   7           HN2      A2G   7  14.579 -27.434 -30.717
   43   1H8   A2G   7          1H8       A2G   7  15.550 -24.131 -30.719
   44   2H8   A2G   7          2H8       A2G   7  15.306 -24.925 -32.283
   45   3H8   A2G   7          3H8       A2G   7  14.236 -25.303 -30.922
   46    H2   A2G  10           H2       A2G  10  10.608 -23.633 -23.898
   47    H4   A2G  10           H4       A2G  10   8.807 -27.113 -22.920
   48    H5   A2G  10           H5       A2G  10   8.309 -26.651 -25.229
   49    H1   A2G  10           H1       A2G  10   9.700 -23.627 -26.178
   50    H3   A2G  10           H3       A2G  10  10.819 -26.666 -23.949
   51    HO4  A2G  10           HO4      A2G  10   8.207 -24.336 -22.341
   52   1H6   A2G  10          1H6       A2G  10   5.956 -25.235 -24.768
   53   2H6   A2G  10          2H6       A2G  10   6.130 -26.975 -24.667
   54    HN2  A2G  10           HN2      A2G  10  12.131 -25.440 -25.676
   55   1H8   A2G  10          1H8       A2G  10  14.274 -23.534 -26.329
   56   2H8   A2G  10          2H8       A2G  10  15.050 -23.776 -24.752
   57   3H8   A2G  10          3H8       A2G  10  14.326 -25.153 -25.603
   58    H2   A2G  13           H2       A2G  13   8.655 -18.845 -29.735
   59    H4   A2G  13           H4       A2G  13   7.712 -21.696 -32.565
   60    H5   A2G  13           H5       A2G  13  10.028 -21.889 -32.028
   61    H1   A2G  13           H1       A2G  13  11.000 -19.403 -29.836
   62    H3   A2G  13           H3       A2G  13   7.652 -21.639 -30.287
   63    HO4  A2G  13           HO4      A2G  13   8.004 -18.808 -32.714
   64   1H6   A2G  13          1H6       A2G  13  10.619 -19.907 -34.114
   65   2H6   A2G  13          2H6       A2G  13  10.811 -21.653 -34.135
   66    HN2  A2G  13           HN2      A2G  13   8.830 -21.429 -28.321
   67   1H8   A2G  13          1H8       A2G  13   9.113 -21.356 -26.194
   68   2H8   A2G  13          2H8       A2G  13   9.537 -19.841 -25.380
   69   3H8   A2G  13          3H8       A2G  13   7.835 -20.259 -25.641
  Start of MODEL   33
    1   1H    ACE   0          1H        ACE   0 -16.983   0.398 -35.871
    2   2H    ACE   0          2H        ACE   0 -18.493  -0.170 -36.590
    3   3H    ACE   0          3H        ACE   0 -17.543  -1.248 -35.562
    4    H    SER   1           H        SER   1 -17.915   2.103 -34.887
    5    HA   SER   1           HA       SER   1 -20.120   1.804 -33.036
    6   1HB   SER   1          1HB       SER   1 -18.761   2.621 -31.081
    7   2HB   SER   1          2HB       SER   1 -18.321   0.996 -31.611
    8    H    THR   2           H        THR   2 -21.068   3.768 -32.532
    9    HA   THR   2           HA       THR   2 -19.999   6.051 -34.013
   10    HB   THR   2           HB       THR   2 -22.312   7.047 -33.445
   11   1HG2  THR   2          1HG2      THR   2 -23.308   6.155 -35.314
   12   2HG2  THR   2          2HG2      THR   2 -21.593   5.905 -35.639
   13   3HG2  THR   2          3HG2      THR   2 -22.589   4.565 -35.068
   14    H    THR   3           H        THR   3 -21.277   8.099 -32.536
   15    HA   THR   3           HA       THR   3 -19.453   8.290 -30.268
   16    HB   THR   3           HB       THR   3 -20.318  10.778 -30.559
   17   1HG2  THR   3          1HG2      THR   3 -18.660   9.626 -32.784
   18   2HG2  THR   3          2HG2      THR   3 -18.614  11.265 -32.131
   19   3HG2  THR   3          3HG2      THR   3 -18.023   9.914 -31.163
   20    H    ALA   4           H        ALA   4 -20.263   9.590 -28.399
   21    HA   ALA   4           HA       ALA   4 -23.107   9.571 -27.955
   22   1HB   ALA   4          1HB       ALA   4 -23.285   7.832 -26.543
   23   2HB   ALA   4          2HB       ALA   4 -21.738   7.306 -27.205
   24   3HB   ALA   4          3HB       ALA   4 -21.786   8.238 -25.711
   25    H    VAL   5           H        VAL   5 -23.469  11.526 -27.109
   26    HA   VAL   5           HA       VAL   5 -21.393  12.846 -25.542
   27    HB   VAL   5           HB       VAL   5 -24.065  13.958 -26.432
   28   1HG1  VAL   5          1HG1      VAL   5 -22.889  16.146 -26.108
   29   2HG1  VAL   5          2HG1      VAL   5 -23.190  15.240 -24.625
   30   3HG1  VAL   5          3HG1      VAL   5 -21.576  15.257 -25.338
   31   1HG2  VAL   5          1HG2      VAL   5 -22.685  15.123 -28.189
   32   2HG2  VAL   5          2HG2      VAL   5 -21.356  14.043 -27.764
   33   3HG2  VAL   5          3HG2      VAL   5 -22.858  13.384 -28.414
   34    H2   A2G   7           H2       A2G   7 -15.137   4.636 -30.380
   35    H4   A2G   7           H4       A2G   7 -13.148   2.025 -32.782
   36    H5   A2G   7           H5       A2G   7 -15.284   1.106 -32.320
   37    H1   A2G   7           H1       A2G   7 -17.056   3.145 -30.144
   38    H3   A2G   7           H3       A2G   7 -14.581   3.748 -33.222
   39    HO4  A2G   7           HO4      A2G   7 -12.826   2.897 -30.026
   40   1H6   A2G   7          1H6       A2G   7 -12.967   0.069 -30.856
   41   2H6   A2G   7          2H6       A2G   7 -14.432  -0.243 -29.967
   42    HN2  A2G   7           HN2      A2G   7 -16.889   4.794 -32.733
   43   1H8   A2G   7          1H8       A2G   7 -17.541   6.748 -33.294
   44   2H8   A2G   7          2H8       A2G   7 -17.909   7.699 -31.845
   45   3H8   A2G   7          3H8       A2G   7 -16.524   8.132 -32.856
   46    H2   A2G  10           H2       A2G  10 -24.637   5.940 -29.977
   47    H4   A2G  10           H4       A2G  10 -26.016   3.008 -32.430
   48    H5   A2G  10           H5       A2G  10 -24.776   4.499 -33.765
   49    H1   A2G  10           H1       A2G  10 -23.424   7.029 -31.822
   50    H3   A2G  10           H3       A2G  10 -24.084   3.203 -31.192
   51    HO4  A2G  10           HO4      A2G  10 -27.266   5.183 -30.965
   52   1H6   A2G  10          1H6       A2G  10 -27.558   4.519 -33.957
   53   2H6   A2G  10          2H6       A2G  10 -27.175   6.234 -33.920
   54    HN2  A2G  10           HN2      A2G  10 -22.075   4.606 -30.595
   55   1H8   A2G  10          1H8       A2G  10 -20.560   6.110 -28.296
   56   2H8   A2G  10          2H8       A2G  10 -21.188   4.758 -27.330
   57   3H8   A2G  10          3H8       A2G  10 -20.664   4.483 -29.002
   58    H2   A2G  13           H2       A2G  13 -23.539  12.294 -33.052
   59    H4   A2G  13           H4       A2G  13 -21.414  10.883 -36.259
   60    H5   A2G  13           H5       A2G  13 -20.088  10.611 -34.289
   61    H1   A2G  13           H1       A2G  13 -21.655  11.976 -31.527
   62    H3   A2G  13           H3       A2G  13 -22.787   9.879 -34.718
   63    HO4  A2G  13           HO4      A2G  13 -22.211  13.536 -35.364
   64   1H6   A2G  13          1H6       A2G  13 -19.448  12.707 -36.186
   65   2H6   A2G  13          2H6       A2G  13 -18.851  13.169 -34.602
   66    HN2  A2G  13           HN2      A2G  13 -23.256   9.470 -32.259
   67   1H8   A2G  13          1H8       A2G  13 -26.396   9.708 -30.738
   68   2H8   A2G  13          2H8       A2G  13 -26.069   8.694 -32.154
   69   3H8   A2G  13          3H8       A2G  13 -24.867   8.818 -30.857
  Start of MODEL   34
    1   1H    ACE   0          1H        ACE   0  11.983  17.563  -7.355
    2   2H    ACE   0          2H        ACE   0  11.785  18.984  -6.324
    3   3H    ACE   0          3H        ACE   0  12.629  17.558  -5.711
    4    H    SER   1           H        SER   1  12.735  19.514  -8.634
    5    HA   SER   1           HA       SER   1  15.614  19.371  -8.784
    6   1HB   SER   1          1HB       SER   1  15.385  20.572 -10.869
    7   2HB   SER   1          2HB       SER   1  14.132  19.331 -10.804
    8    H    THR   2           H        THR   2  16.761  21.519  -9.388
    9    HA   THR   2           HA       THR   2  16.274  23.370  -7.179
   10    HB   THR   2           HB       THR   2  18.577  24.263  -7.994
   11   1HG2  THR   2          1HG2      THR   2  18.064  22.702  -5.981
   12   2HG2  THR   2          2HG2      THR   2  18.778  21.458  -7.007
   13   3HG2  THR   2          3HG2      THR   2  19.721  22.879  -6.559
   14    H    THR   3           H        THR   3  17.442  25.649  -8.020
   15    HA   THR   3           HA       THR   3  15.577  26.630 -10.052
   16    HB   THR   3           HB       THR   3  16.266  28.878  -9.024
   17   1HG2  THR   3          1HG2      THR   3  14.157  27.775  -8.403
   18   2HG2  THR   3          2HG2      THR   3  15.020  26.882  -7.148
   19   3HG2  THR   3          3HG2      THR   3  14.890  28.639  -7.049
   20    H    ALA   4           H        ALA   4  16.552  28.675 -11.183
   21    HA   ALA   4           HA       ALA   4  19.359  28.500 -11.774
   22   1HB   ALA   4          1HB       ALA   4  17.997  26.809 -13.235
   23   2HB   ALA   4          2HB       ALA   4  17.541  28.248 -14.143
   24   3HB   ALA   4          3HB       ALA   4  19.241  27.804 -13.984
   25    H    VAL   5           H        VAL   5  18.759  29.885 -14.405
   26    HA   VAL   5           HA       VAL   5  18.454  32.556 -13.282
   27    HB   VAL   5           HB       VAL   5  19.181  31.759 -16.114
   28   1HG1  VAL   5          1HG1      VAL   5  18.352  33.985 -16.111
   29   2HG1  VAL   5          2HG1      VAL   5  19.264  34.393 -14.657
   30   3HG1  VAL   5          3HG1      VAL   5  20.110  34.095 -16.176
   31   1HG2  VAL   5          1HG2      VAL   5  20.942  32.490 -13.768
   32   2HG2  VAL   5          2HG2      VAL   5  20.867  30.931 -14.589
   33   3HG2  VAL   5          3HG2      VAL   5  21.503  32.344 -15.432
   34    H2   A2G   7           H2       A2G   7  12.222  23.263 -12.818
   35    H4   A2G   7           H4       A2G   7   9.818  20.014 -12.054
   36    H5   A2G   7           H5       A2G   7  12.026  19.642 -11.110
   37    H1   A2G   7           H1       A2G   7  14.209  22.092 -12.240
   38    H3   A2G   7           H3       A2G   7  10.387  21.907 -10.858
   39    HO4  A2G   7           HO4      A2G   7  11.137  21.004 -14.456
   40   1H6   A2G   7          1H6       A2G   7  12.156  17.596 -12.070
   41   2H6   A2G   7          2H6       A2G   7  10.986  18.116 -13.268
   42    HN2  A2G   7           HN2      A2G   7  12.423  23.123  -9.881
   43   1H8   A2G   7          1H8       A2G   7  12.638  24.964  -8.866
   44   2H8   A2G   7          2H8       A2G   7  13.075  26.407  -9.799
   45   3H8   A2G   7          3H8       A2G   7  11.377  26.091  -9.402
   46    H2   A2G  10           H2       A2G  10  20.546  23.688 -11.776
   47    H4   A2G  10           H4       A2G  10  21.081  19.863 -10.490
   48    H5   A2G  10           H5       A2G  10  20.341  21.110  -8.617
   49    H1   A2G  10           H1       A2G  10  19.716  24.406  -9.577
   50    H3   A2G  10           H3       A2G  10  19.293  20.936 -11.455
   51    HO4  A2G  10           HO4      A2G  10  22.926  22.003 -11.170
   52   1H6   A2G  10          1H6       A2G  10  22.330  21.445  -7.274
   53   2H6   A2G  10          2H6       A2G  10  22.695  20.134  -8.387
   54    HN2  A2G  10           HN2      A2G  10  17.743  22.804 -11.414
   55   1H8   A2G  10          1H8       A2G  10  16.589  25.576 -12.738
   56   2H8   A2G  10          2H8       A2G  10  16.798  24.434 -14.079
   57   3H8   A2G  10          3H8       A2G  10  16.268  23.850 -12.492
   58    H2   A2G  13           H2       A2G  13  20.065  29.762  -7.094
   59    H4   A2G  13           H4       A2G  13  18.137  28.261  -3.793
   60    H5   A2G  13           H5       A2G  13  16.589  28.384  -5.548
   61    H1   A2G  13           H1       A2G  13  18.023  29.673  -8.411
   62    H3   A2G  13           H3       A2G  13  19.373  27.316  -5.468
   63    HO4  A2G  13           HO4      A2G  13  19.406  30.800  -4.356
   64   1H6   A2G  13          1H6       A2G  13  16.489  31.125  -4.195
   65   2H6   A2G  13          2H6       A2G  13  15.169  30.351  -5.044
   66    HN2  A2G  13           HN2      A2G  13  19.478  27.008  -7.967
   67   1H8   A2G  13          1H8       A2G  13  22.782  26.781  -9.167
   68   2H8   A2G  13          2H8       A2G  13  21.326  25.886  -8.696
   69   3H8   A2G  13          3H8       A2G  13  21.311  26.902 -10.150
  Start of MODEL   35
    1   1H    ACE   0          1H        ACE   0  44.950  14.335   4.421
    2   2H    ACE   0          2H        ACE   0  43.479  13.833   5.260
    3   3H    ACE   0          3H        ACE   0  44.963  14.119   6.174
    4    H    SER   1           H        SER   1  45.924  16.314   5.737
    5    HA   SER   1           HA       SER   1  43.956  18.298   6.468
    6   1HB   SER   1          1HB       SER   1  45.802  19.701   7.029
    7   2HB   SER   1          2HB       SER   1  46.283  18.073   7.509
    8    H    THR   2           H        THR   2  43.766  20.374   5.382
    9    HA   THR   2           HA       THR   2  43.992  20.049   2.486
   10    HB   THR   2           HB       THR   2  42.478  22.140   2.521
   11   1HG2  THR   2          1HG2      THR   2  41.457  19.603   3.755
   12   2HG2  THR   2          2HG2      THR   2  40.473  20.884   3.046
   13   3HG2  THR   2          3HG2      THR   2  41.575  19.956   2.031
   14    H    THR   3           H        THR   3  43.864  22.938   1.960
   15    HA   THR   3           HA       THR   3  46.700  23.524   2.277
   16    HB   THR   3           HB       THR   3  45.978  25.332   0.514
   17   1HG2  THR   3          1HG2      THR   3  45.746  22.557  -0.539
   18   2HG2  THR   3          2HG2      THR   3  46.592  23.950  -1.216
   19   3HG2  THR   3          3HG2      THR   3  47.271  23.095   0.170
   20    H    ALA   4           H        ALA   4  47.429  25.389   3.194
   21    HA   ALA   4           HA       ALA   4  45.562  26.767   4.893
   22   1HB   ALA   4          1HB       ALA   4  48.536  27.193   4.681
   23   2HB   ALA   4          2HB       ALA   4  47.464  27.746   5.967
   24   3HB   ALA   4          3HB       ALA   4  47.766  26.022   5.749
   25    H    VAL   5           H        VAL   5  44.383  28.104   3.736
   26    HA   VAL   5           HA       VAL   5  45.662  30.510   2.721
   27    HB   VAL   5           HB       VAL   5  44.283  30.507   0.630
   28   1HG1  VAL   5          1HG1      VAL   5  46.702  29.857   0.724
   29   2HG1  VAL   5          2HG1      VAL   5  46.181  28.172   0.738
   30   3HG1  VAL   5          3HG1      VAL   5  45.805  29.201  -0.644
   31   1HG2  VAL   5          1HG2      VAL   5  42.589  28.899   1.196
   32   2HG2  VAL   5          2HG2      VAL   5  43.492  28.286  -0.189
   33   3HG2  VAL   5          3HG2      VAL   5  43.796  27.634   1.422
   34    H2   A2G   7           H2       A2G   7  50.404  19.503   5.974
   35    H4   A2G   7           H4       A2G   7  49.761  15.693   4.655
   36    H5   A2G   7           H5       A2G   7  47.713  16.608   5.588
   37    H1   A2G   7           H1       A2G   7  48.399  19.563   7.290
   38    H3   A2G   7           H3       A2G   7  49.269  17.766   3.784
   39    HO4  A2G   7           HO4      A2G   7  51.107  16.769   7.000
   40   1H6   A2G   7          1H6       A2G   7  48.443  15.285   8.077
   41   2H6   A2G   7          2H6       A2G   7  47.378  14.725   6.802
   42    HN2  A2G   7           HN2      A2G   7  48.109  19.992   4.185
   43   1H8   A2G   7          1H8       A2G   7  48.569  22.831   3.799
   44   2H8   A2G   7          2H8       A2G   7  49.907  22.589   2.662
   45   3H8   A2G   7          3H8       A2G   7  48.484  21.535   2.592
   46    H2   A2G  10           H2       A2G  10  41.898  25.095   5.620
   47    H4   A2G  10           H4       A2G  10  39.491  22.254   7.287
   48    H5   A2G  10           H5       A2G  10  40.237  21.449   5.181
   49    H1   A2G  10           H1       A2G  10  42.198  23.797   3.575
   50    H3   A2G  10           H3       A2G  10  41.763  22.594   7.334
   51    HO4  A2G  10           HO4      A2G  10  39.026  24.892   6.159
   52   1H6   A2G  10          1H6       A2G  10  37.603  22.013   5.556
   53   2H6   A2G  10          2H6       A2G  10  37.889  22.942   4.086
   54    HN2  A2G  10           HN2      A2G  10  43.852  22.913   6.015
   55   1H8   A2G  10          1H8       A2G  10  46.211  25.406   6.959
   56   2H8   A2G  10          2H8       A2G  10  45.716  23.740   7.305
   57   3H8   A2G  10          3H8       A2G  10  46.168  24.205   5.654
   58    H2   A2G  13           H2       A2G  13  42.027  26.575  -0.733
   59    H4   A2G  13           H4       A2G  13  41.696  22.894  -2.501
   60    H5   A2G  13           H5       A2G  13  43.904  23.111  -1.611
   61    H1   A2G  13           H1       A2G  13  44.393  26.272  -0.282
   62    H3   A2G  13           H3       A2G  13  41.377  23.640  -0.357
   63    HO4  A2G  13           HO4      A2G  13  41.725  25.613  -3.495
   64   1H6   A2G  13          1H6       A2G  13  44.231  24.292  -4.399
   65   2H6   A2G  13          2H6       A2G  13  45.277  23.175  -3.581
   66    HN2  A2G  13           HN2      A2G  13  42.444  24.858   1.626
   67   1H8   A2G  13          1H8       A2G  13  42.001  26.260   3.577
   68   2H8   A2G  13          2H8       A2G  13  40.529  27.242   3.470
   69   3H8   A2G  13          3H8       A2G  13  40.439  25.485   3.267
  Start of MODEL   36
    1   1H    ACE   0          1H        ACE   0  19.639   1.817  -8.217
    2   2H    ACE   0          2H        ACE   0  20.464   2.299  -9.703
    3   3H    ACE   0          3H        ACE   0  18.699   2.300  -9.632
    4    H    SER   1           H        SER   1  21.369   3.509  -7.686
    5    HA   SER   1           HA       SER   1  20.595   6.272  -8.030
    6   1HB   SER   1          1HB       SER   1  20.522   6.488  -5.409
    7   2HB   SER   1          2HB       SER   1  19.075   5.975  -6.280
    8    H    THR   2           H        THR   2  22.226   7.718  -7.443
    9    HA   THR   2           HA       THR   2  24.828   6.465  -6.964
   10    HB   THR   2           HB       THR   2  25.656   8.818  -7.543
   11   1HG2  THR   2          1HG2      THR   2  24.302   8.256  -9.972
   12   2HG2  THR   2          2HG2      THR   2  25.996   7.994  -9.553
   13   3HG2  THR   2          3HG2      THR   2  24.803   6.735  -9.231
   14    H    THR   3           H        THR   3  26.298   8.456  -5.895
   15    HA   THR   3           HA       THR   3  25.244   8.649  -3.168
   16    HB   THR   3           HB       THR   3  27.689   9.152  -2.669
   17   1HG2  THR   3          1HG2      THR   3  28.355   6.952  -2.615
   18   2HG2  THR   3          2HG2      THR   3  26.602   6.781  -2.706
   19   3HG2  THR   3          3HG2      THR   3  27.587   6.573  -4.157
   20    H    ALA   4           H        ALA   4  26.321  10.662  -2.023
   21    HA   ALA   4           HA       ALA   4  26.474  13.017  -3.677
   22   1HB   ALA   4          1HB       ALA   4  24.560  13.559  -1.564
   23   2HB   ALA   4          2HB       ALA   4  24.455  13.897  -3.292
   24   3HB   ALA   4          3HB       ALA   4  23.976  12.318  -2.670
   25    H    VAL   5           H        VAL   5  28.219  13.992  -2.909
   26    HA   VAL   5           HA       VAL   5  28.939  13.725  -0.096
   27    HB   VAL   5           HB       VAL   5  31.065  14.855  -0.763
   28   1HG1  VAL   5          1HG1      VAL   5  30.840  12.403  -0.739
   29   2HG1  VAL   5          2HG1      VAL   5  30.381  12.445  -2.442
   30   3HG1  VAL   5          3HG1      VAL   5  31.993  12.964  -1.949
   31   1HG2  VAL   5          1HG2      VAL   5  31.579  15.203  -3.107
   32   2HG2  VAL   5          2HG2      VAL   5  29.986  14.611  -3.578
   33   3HG2  VAL   5          3HG2      VAL   5  30.137  16.123  -2.684
   34    H2   A2G   7           H2       A2G   7  20.645   4.333  -2.025
   35    H4   A2G   7           H4       A2G   7  19.363   0.838  -3.694
   36    H5   A2G   7           H5       A2G   7  18.838   2.644  -5.205
   37    H1   A2G   7           H1       A2G   7  19.580   5.704  -3.703
   38    H3   A2G   7           H3       A2G   7  21.297   2.061  -3.910
   39    HO4  A2G   7           HO4      A2G   7  18.325   2.486  -1.537
   40   1H6   A2G   7          1H6       A2G   7  16.379   2.847  -4.959
   41   2H6   A2G   7          2H6       A2G   7  16.899   1.195  -4.670
   42    HN2  A2G   7           HN2      A2G   7  22.280   4.361  -4.477
   43   1H8   A2G   7          1H8       A2G   7  25.044   4.520  -2.958
   44   2H8   A2G   7          2H8       A2G   7  24.187   5.284  -4.308
   45   3H8   A2G   7          3H8       A2G   7  24.576   6.227  -2.858
   46    H2   A2G  10           H2       A2G  10  23.809  12.641  -7.225
   47    H4   A2G  10           H4       A2G  10  21.598  11.658 -10.519
   48    H5   A2G  10           H5       A2G  10  23.157   9.899 -10.098
   49    H1   A2G  10           H1       A2G  10  25.267  10.717  -7.473
   50    H3   A2G  10           H3       A2G  10  21.383  11.157  -8.274
   51    HO4  A2G  10           HO4      A2G  10  23.632  13.659  -9.936
   52   1H6   A2G  10          1H6       A2G  10  23.760  11.841 -12.248
   53   2H6   A2G  10          2H6       A2G  10  25.152  10.871 -11.791
   54    HN2  A2G  10           HN2      A2G  10  22.458  10.210  -6.241
   55   1H8   A2G  10          1H8       A2G  10  21.554  10.427  -4.229
   56   2H8   A2G  10          2H8       A2G  10  23.112  10.619  -3.398
   57   3H8   A2G  10          3H8       A2G  10  21.856  11.861  -3.230
   58    H2   A2G  13           H2       A2G  13  30.444  11.242  -5.238
   59    H4   A2G  13           H4       A2G  13  31.162   7.519  -6.801
   60    H5   A2G  13           H5       A2G  13  29.685   7.269  -4.972
   61    H1   A2G  13           H1       A2G  13  29.078  10.325  -3.463
   62    H3   A2G  13           H3       A2G  13  29.645   9.159  -7.267
   63    HO4  A2G  13           HO4      A2G  13  32.812   9.394  -5.322
   64   1H6   A2G  13          1H6       A2G  13  32.265   6.308  -4.787
   65   2H6   A2G  13          2H6       A2G  13  32.113   7.157  -3.254
   66    HN2  A2G  13           HN2      A2G  13  27.772  10.517  -6.266
   67   1H8   A2G  13          1H8       A2G  13  27.507  13.805  -7.555
   68   2H8   A2G  13          2H8       A2G  13  26.911  12.141  -7.682
   69   3H8   A2G  13          3H8       A2G  13  26.602  13.084  -6.212
  Start of MODEL   37
    1   1H    ACE   0          1H        ACE   0  61.315  16.836 -10.295
    2   2H    ACE   0          2H        ACE   0  61.082  17.837 -11.732
    3   3H    ACE   0          3H        ACE   0  59.740  16.881 -11.094
    4    H    SER   1           H        SER   1  59.074  19.270 -11.478
    5    HA   SER   1           HA       SER   1  59.628  21.067  -9.290
    6   1HB   SER   1          1HB       SER   1  58.204  22.626 -10.421
    7   2HB   SER   1          2HB       SER   1  59.137  21.798 -11.670
    8    H    THR   2           H        THR   2  57.715  22.156  -8.216
    9    HA   THR   2           HA       THR   2  56.011  20.085  -7.049
   10    HB   THR   2           HB       THR   2  55.590  22.098  -5.395
   11   1HG2  THR   2          1HG2      THR   2  57.362  21.465  -4.032
   12   2HG2  THR   2          2HG2      THR   2  57.003  20.023  -4.981
   13   3HG2  THR   2          3HG2      THR   2  58.383  21.036  -5.405
   14    H    THR   3           H        THR   3  54.041  22.111  -6.090
   15    HA   THR   3           HA       THR   3  52.496  22.322  -8.553
   16    HB   THR   3           HB       THR   3  50.644  22.822  -6.797
   17   1HG2  THR   3          1HG2      THR   3  51.050  20.623  -8.062
   18   2HG2  THR   3          2HG2      THR   3  51.771  20.064  -6.551
   19   3HG2  THR   3          3HG2      THR   3  50.083  20.577  -6.586
   20    H    ALA   4           H        ALA   4  51.721  24.234  -9.294
   21    HA   ALA   4           HA       ALA   4  52.937  26.611  -8.217
   22   1HB   ALA   4          1HB       ALA   4  51.258  26.227 -10.690
   23   2HB   ALA   4          2HB       ALA   4  52.039  27.734 -10.210
   24   3HB   ALA   4          3HB       ALA   4  53.016  26.323 -10.612
   25    H    VAL   5           H        VAL   5  51.945  27.211  -6.446
   26    HA   VAL   5           HA       VAL   5  49.265  28.318  -6.684
   27    HB   VAL   5           HB       VAL   5  48.473  27.322  -4.574
   28   1HG1  VAL   5          1HG1      VAL   5  47.948  26.289  -6.773
   29   2HG1  VAL   5          2HG1      VAL   5  49.291  25.173  -6.522
   30   3HG1  VAL   5          3HG1      VAL   5  47.911  25.157  -5.423
   31   1HG2  VAL   5          1HG2      VAL   5  49.694  25.302  -3.702
   32   2HG2  VAL   5          2HG2      VAL   5  51.055  25.767  -4.723
   33   3HG2  VAL   5          3HG2      VAL   5  50.513  26.838  -3.431
   34    H2   A2G   7           H2       A2G   7  54.869  22.163 -13.696
   35    H4   A2G   7           H4       A2G   7  57.747  19.721 -15.387
   36    H5   A2G   7           H5       A2G   7  58.454  20.504 -13.196
   37    H1   A2G   7           H1       A2G   7  56.391  23.052 -12.100
   38    H3   A2G   7           H3       A2G   7  56.016  19.385 -13.887
   39    HO4  A2G   7           HO4      A2G   7  56.788  22.412 -15.959
   40   1H6   A2G   7          1H6       A2G   7  60.390  20.693 -14.380
   41   2H6   A2G   7          2H6       A2G   7  59.684  21.656 -15.660
   42    HN2  A2G   7           HN2      A2G   7  55.244  20.143 -11.580
   43   1H8   A2G   7          1H8       A2G   7  53.549  19.541 -10.508
   44   2H8   A2G   7          2H8       A2G   7  52.316  20.804 -10.338
   45   3H8   A2G   7          3H8       A2G   7  52.043  19.441 -11.440
   46    H2   A2G  10           H2       A2G  10  56.420  26.266  -6.141
   47    H4   A2G  10           H4       A2G  10  60.298  25.252  -5.215
   48    H5   A2G  10           H5       A2G  10  58.899  23.329  -4.987
   49    H1   A2G  10           H1       A2G  10  55.591  24.085  -5.451
   50    H3   A2G  10           H3       A2G  10  59.061  25.149  -7.156
   51    HO4  A2G  10           HO4      A2G  10  58.280  26.949  -3.987
   52   1H6   A2G  10          1H6       A2G  10  59.086  24.702  -2.265
   53   2H6   A2G  10          2H6       A2G  10  58.765  23.001  -2.533
   54    HN2  A2G  10           HN2      A2G  10  57.097  24.303  -8.255
   55   1H8   A2G  10          1H8       A2G  10  56.242  24.656 -10.172
   56   2H8   A2G  10          2H8       A2G  10  54.496  24.726  -9.869
   57   3H8   A2G  10          3H8       A2G  10  55.343  26.147 -10.510
   58    H2   A2G  13           H2       A2G  13  51.044  23.941  -2.607
   59    H4   A2G  13           H4       A2G  13  51.883  19.957  -2.118
   60    H5   A2G  13           H5       A2G  13  51.257  20.277  -4.374
   61    H1   A2G  13           H1       A2G  13  50.462  23.611  -4.944
   62    H3   A2G  13           H3       A2G  13  53.155  21.796  -2.573
   63    HO4  A2G  13           HO4      A2G  13  49.680  21.620  -1.210
   64   1H6   A2G  13          1H6       A2G  13  48.430  20.021  -3.581
   65   2H6   A2G  13          2H6       A2G  13  49.469  18.857  -4.392
   66    HN2  A2G  13           HN2      A2G  13  53.462  23.647  -4.269
   67   1H8   A2G  13          1H8       A2G  13  55.250  25.356  -3.093
   68   2H8   A2G  13          2H8       A2G  13  54.413  25.806  -4.590
   69   3H8   A2G  13          3H8       A2G  13  54.400  26.908  -3.202
  Start of MODEL   38
    1   1H    ACE   0          1H        ACE   0   9.130 -22.710 -41.415
    2   2H    ACE   0          2H        ACE   0  10.033 -21.726 -42.571
    3   3H    ACE   0          3H        ACE   0  10.875 -22.925 -41.585
    4    H    SER   1           H        SER   1   7.996 -22.825 -43.605
    5    HA   SER   1           HA       SER   1   8.458 -25.479 -44.644
    6   1HB   SER   1          1HB       SER   1   6.341 -25.243 -45.738
    7   2HB   SER   1          2HB       SER   1   6.170 -24.495 -44.149
    8    H    THR   2           H        THR   2   8.707 -26.009 -46.862
    9    HA   THR   2           HA       THR   2  10.271 -24.020 -48.339
   10    HB   THR   2           HB       THR   2  10.798 -26.034 -49.810
   11   1HG2  THR   2          1HG2      THR   2  11.830 -27.079 -47.378
   12   2HG2  THR   2          2HG2      THR   2  12.665 -26.167 -48.638
   13   3HG2  THR   2          3HG2      THR   2  11.884 -25.316 -47.305
   14    H    THR   3           H        THR   3  10.059 -24.754 -50.892
   15    HA   THR   3           HA       THR   3   7.261 -24.165 -51.561
   16    HB   THR   3           HB       THR   3   8.349 -23.420 -53.758
   17   1HG2  THR   3          1HG2      THR   3   9.271 -22.017 -51.264
   18   2HG2  THR   3          2HG2      THR   3   9.144 -21.314 -52.880
   19   3HG2  THR   3          3HG2      THR   3   7.688 -21.810 -52.017
   20    H    ALA   4           H        ALA   4   6.327 -25.236 -53.415
   21    HA   ALA   4           HA       ALA   4   7.198 -27.977 -53.601
   22   1HB   ALA   4          1HB       ALA   4   4.780 -27.202 -53.338
   23   2HB   ALA   4          2HB       ALA   4   4.854 -26.748 -55.041
   24   3HB   ALA   4          3HB       ALA   4   5.087 -28.431 -54.564
   25    H    VAL   5           H        VAL   5   5.930 -28.036 -56.380
   26    HA   VAL   5           HA       VAL   5   8.421 -27.576 -57.819
   27    HB   VAL   5           HB       VAL   5   5.870 -28.868 -58.820
   28   1HG1  VAL   5          1HG1      VAL   5   8.666 -28.744 -59.935
   29   2HG1  VAL   5          2HG1      VAL   5   7.439 -29.879 -60.500
   30   3HG1  VAL   5          3HG1      VAL   5   7.180 -28.143 -60.667
   31   1HG2  VAL   5          1HG2      VAL   5   7.069 -31.009 -58.455
   32   2HG2  VAL   5          2HG2      VAL   5   8.365 -30.118 -57.656
   33   3HG2  VAL   5          3HG2      VAL   5   6.748 -30.144 -56.954
   34    H2   A2G   7           H2       A2G   7   3.673 -21.730 -47.112
   35    H4   A2G   7           H4       A2G   7   4.916 -19.958 -43.648
   36    H5   A2G   7           H5       A2G   7   5.844 -22.182 -43.732
   37    H1   A2G   7           H1       A2G   7   4.519 -23.894 -46.488
   38    H3   A2G   7           H3       A2G   7   5.860 -20.167 -45.732
   39    HO4  A2G   7           HO4      A2G   7   2.375 -21.095 -44.479
   40   1H6   A2G   7          1H6       A2G   7   4.550 -23.349 -41.997
   41   2H6   A2G   7          2H6       A2G   7   4.542 -21.628 -41.648
   42    HN2  A2G   7           HN2      A2G   7   6.587 -21.823 -47.543
   43   1H8   A2G   7          1H8       A2G   7   6.988 -22.093 -49.849
   44   2H8   A2G   7          2H8       A2G   7   5.913 -21.255 -50.982
   45   3H8   A2G   7          3H8       A2G   7   6.897 -20.322 -49.840
   46    H2   A2G  10           H2       A2G  10   8.552 -29.585 -50.573
   47    H4   A2G  10           H4       A2G  10   9.737 -30.906 -46.874
   48    H5   A2G  10           H5       A2G  10  10.824 -28.842 -47.344
   49    H1   A2G  10           H1       A2G  10  10.115 -27.725 -50.525
   50    H3   A2G  10           H3       A2G  10   8.071 -29.478 -47.573
   51    HO4  A2G  10           HO4      A2G  10  10.082 -31.856 -49.597
   52   1H6   A2G  10          1H6       A2G  10  12.594 -31.170 -48.226
   53   2H6   A2G  10          2H6       A2G  10  13.189 -29.556 -47.902
   54    HN2  A2G  10           HN2      A2G  10   7.468 -27.472 -48.813
   55   1H8   A2G  10          1H8       A2G  10   5.794 -26.138 -50.926
   56   2H8   A2G  10          2H8       A2G  10   4.596 -27.428 -50.721
   57   3H8   A2G  10          3H8       A2G  10   5.467 -26.796 -49.312
   58    H2   A2G  13           H2       A2G  13  12.246 -24.472 -55.453
   59    H4   A2G  13           H4       A2G  13  13.528 -21.624 -52.778
   60    H5   A2G  13           H5       A2G  13  11.169 -21.695 -52.678
   61    H1   A2G  13           H1       A2G  13   9.927 -23.986 -54.972
   62    H3   A2G  13           H3       A2G  13  13.241 -23.874 -52.671
   63    HO4  A2G  13           HO4      A2G  13  13.404 -21.638 -55.688
   64   1H6   A2G  13          1H6       A2G  13  10.620 -19.565 -53.403
   65   2H6   A2G  13          2H6       A2G  13  12.360 -19.464 -53.613
   66    HN2  A2G  13           HN2      A2G  13  11.799 -25.648 -52.787
   67   1H8   A2G  13          1H8       A2G  13  11.632 -27.744 -52.678
   68   2H8   A2G  13          2H8       A2G  13  10.550 -28.387 -53.927
   69   3H8   A2G  13          3H8       A2G  13  12.295 -28.683 -54.028
  Start of MODEL   39
    1   1H    ACE   0          1H        ACE   0  36.588 -19.274   9.417
    2   2H    ACE   0          2H        ACE   0  35.549 -19.885   8.126
    3   3H    ACE   0          3H        ACE   0  34.885 -19.609   9.739
    4    H    SER   1           H        SER   1  33.689 -18.583   7.588
    5    HA   SER   1           HA       SER   1  34.475 -15.847   7.109
    6   1HB   SER   1          1HB       SER   1  32.624 -15.749   5.606
    7   2HB   SER   1          2HB       SER   1  33.290 -17.375   5.434
    8    H    THR   2           H        THR   2  33.060 -14.005   7.527
    9    HA   THR   2           HA       THR   2  31.782 -14.257  10.148
   10    HB   THR   2           HB       THR   2  31.770 -11.682   9.965
   11   1HG2  THR   2          1HG2      THR   2  34.018 -11.425  10.651
   12   2HG2  THR   2          2HG2      THR   2  33.419 -12.949  11.302
   13   3HG2  THR   2          3HG2      THR   2  34.483 -12.950   9.895
   14    H    THR   3           H        THR   3  30.074 -11.940   9.836
   15    HA   THR   3           HA       THR   3  27.908 -13.171   8.312
   16    HB   THR   3           HB       THR   3  26.591 -11.366   9.652
   17   1HG2  THR   3          1HG2      THR   3  26.875 -13.906  10.194
   18   2HG2  THR   3          2HG2      THR   3  27.891 -13.295  11.500
   19   3HG2  THR   3          3HG2      THR   3  26.202 -12.802  11.394
   20    H    ALA   4           H        ALA   4  26.621 -11.893   6.888
   21    HA   ALA   4           HA       ALA   4  28.150  -9.845   5.570
   22   1HB   ALA   4          1HB       ALA   4  26.862 -11.717   4.407
   23   2HB   ALA   4          2HB       ALA   4  25.403 -10.799   4.783
   24   3HB   ALA   4          3HB       ALA   4  26.652 -10.092   3.757
   25    H    VAL   5           H        VAL   5  25.502  -8.658   4.631
   26    HA   VAL   5           HA       VAL   5  25.362  -6.632   6.719
   27    HB   VAL   5           HB       VAL   5  23.974  -5.358   5.065
   28   1HG1  VAL   5          1HG1      VAL   5  26.667  -6.259   4.049
   29   2HG1  VAL   5          2HG1      VAL   5  25.830  -4.768   3.617
   30   3HG1  VAL   5          3HG1      VAL   5  26.392  -5.018   5.270
   31   1HG2  VAL   5          1HG2      VAL   5  23.143  -7.352   3.819
   32   2HG2  VAL   5          2HG2      VAL   5  23.826  -6.107   2.773
   33   3HG2  VAL   5          3HG2      VAL   5  24.758  -7.558   3.143
   34    H2   A2G   7           H2       A2G   7  28.606 -18.152   5.220
   35    H4   A2G   7           H4       A2G   7  31.073 -21.386   5.916
   36    H5   A2G   7           H5       A2G   7  32.310 -19.316   6.083
   37    H1   A2G   7           H1       A2G   7  30.447 -16.688   4.816
   38    H3   A2G   7           H3       A2G   7  29.925 -19.911   7.277
   39    HO4  A2G   7           HO4      A2G   7  29.690 -20.350   3.577
   40   1H6   A2G   7          1H6       A2G   7  32.654 -20.690   3.374
   41   2H6   A2G   7          2H6       A2G   7  33.795 -19.544   4.046
   42    HN2  A2G   7           HN2      A2G   7  29.756 -17.462   7.845
   43   1H8   A2G   7          1H8       A2G   7  26.495 -16.321   8.779
   44   2H8   A2G   7          2H8       A2G   7  27.862 -17.213   9.472
   45   3H8   A2G   7          3H8       A2G   7  28.125 -15.629   8.723
   46    H2   A2G  10           H2       A2G  10  31.849  -9.151   6.482
   47    H4   A2G  10           H4       A2G  10  35.839  -9.888   6.529
   48    H5   A2G  10           H5       A2G  10  34.929 -10.854   8.498
   49    H1   A2G  10           H1       A2G  10  31.502 -10.277   8.628
   50    H3   A2G  10           H3       A2G  10  34.060 -11.071   5.708
   51    HO4  A2G  10           HO4      A2G  10  34.252  -7.497   6.973
   52   1H6   A2G  10          1H6       A2G  10  35.151  -8.263   9.862
   53   2H6   A2G  10          2H6       A2G  10  36.193  -9.666   9.976
   54    HN2  A2G  10           HN2      A2G  10  31.820 -12.091   6.183
   55   1H8   A2G  10          1H8       A2G  10  30.574 -12.676   4.178
   56   2H8   A2G  10          2H8       A2G  10  29.308 -12.522   5.409
   57   3H8   A2G  10          3H8       A2G  10  29.148 -11.670   3.862
   58    H2   A2G  13           H2       A2G  13  28.007  -7.865  11.761
   59    H4   A2G  13           H4       A2G  13  29.762 -10.488  14.392
   60    H5   A2G  13           H5       A2G  13  28.447 -11.724  12.828
   61    H1   A2G  13           H1       A2G  13  26.735  -9.641  10.684
   62    H3   A2G  13           H3       A2G  13  30.381  -9.654  12.345
   63    HO4  A2G  13           HO4      A2G  13  27.634  -8.524  14.641
   64   1H6   A2G  13          1H6       A2G  13  27.763 -11.701  15.471
   65   2H6   A2G  13          2H6       A2G  13  26.210 -11.284  14.747
   66    HN2  A2G  13           HN2      A2G  13  29.975  -9.320  10.110
   67   1H8   A2G  13          1H8       A2G  13  30.362  -6.518   8.220
   68   2H8   A2G  13          2H8       A2G  13  30.761  -8.229   8.442
   69   3H8   A2G  13          3H8       A2G  13  29.360  -7.767   7.459
  Start of MODEL   40
    1   1H    ACE   0          1H        ACE   0  10.311   9.687  -8.551
    2   2H    ACE   0          2H        ACE   0  10.460   8.378  -7.374
    3   3H    ACE   0          3H        ACE   0   8.887   8.751  -8.086
    4    H    SER   1           H        SER   1  11.977   8.669  -9.686
    5    HA   SER   1           HA       SER   1  11.003   6.857 -11.716
    6   1HB   SER   1          1HB       SER   1  13.179   7.246 -12.786
    7   2HB   SER   1          2HB       SER   1  12.466   8.781 -12.281
    8    H    THR   2           H        THR   2  12.227   4.930 -12.377
    9    HA   THR   2           HA       THR   2  13.062   3.395 -10.026
   10    HB   THR   2           HB       THR   2  12.892   1.476 -11.773
   11   1HG2  THR   2          1HG2      THR   2  10.406   3.008 -11.094
   12   2HG2  THR   2          2HG2      THR   2  10.490   1.330 -11.632
   13   3HG2  THR   2          3HG2      THR   2  11.188   1.794 -10.080
   14    H    THR   3           H        THR   3  14.587   1.443 -11.612
   15    HA   THR   3           HA       THR   3  17.097   2.917 -11.799
   16    HB   THR   3           HB       THR   3  17.966   0.458 -11.890
   17   1HG2  THR   3          1HG2      THR   3  18.057   0.273  -9.535
   18   2HG2  THR   3          2HG2      THR   3  18.108   1.998  -9.899
   19   3HG2  THR   3          3HG2      THR   3  16.609   1.260  -9.332
   20    H    ALA   4           H        ALA   4  18.332   2.924 -13.633
   21    HA   ALA   4           HA       ALA   4  16.976   2.196 -16.063
   22   1HB   ALA   4          1HB       ALA   4  18.816   3.344 -17.207
   23   2HB   ALA   4          2HB       ALA   4  18.072   4.363 -15.976
   24   3HB   ALA   4          3HB       ALA   4  19.624   3.586 -15.661
   25    H    VAL   5           H        VAL   5  17.024   0.127 -16.386
   26    HA   VAL   5           HA       VAL   5  19.460  -1.434 -16.052
   27    HB   VAL   5           HB       VAL   5  17.246  -2.312 -15.273
   28   1HG1  VAL   5          1HG1      VAL   5  15.617  -3.120 -16.817
   29   2HG1  VAL   5          2HG1      VAL   5  15.949  -1.435 -17.220
   30   3HG1  VAL   5          3HG1      VAL   5  16.644  -2.730 -18.195
   31   1HG2  VAL   5          1HG2      VAL   5  17.679  -4.562 -15.906
   32   2HG2  VAL   5          2HG2      VAL   5  18.448  -4.063 -17.413
   33   3HG2  VAL   5          3HG2      VAL   5  19.241  -3.746 -15.870
   34    H2   A2G   7           H2       A2G   7  17.294   8.480 -11.612
   35    H4   A2G   7           H4       A2G   7  15.590  11.559  -9.541
   36    H5   A2G   7           H5       A2G   7  13.839  10.321 -10.668
   37    H1   A2G   7           H1       A2G   7  15.262   7.937 -12.785
   38    H3   A2G   7           H3       A2G   7  15.920   9.334  -9.058
   39    HO4  A2G   7           HO4      A2G   7  17.107  11.438 -12.016
   40   1H6   A2G   7          1H6       A2G   7  13.945  12.015 -12.952
   41   2H6   A2G   7          2H6       A2G   7  13.063  12.297 -11.461
   42    HN2  A2G   7           HN2      A2G   7  15.519   6.932  -9.840
   43   1H8   A2G   7          1H8       A2G   7  16.214   4.989  -9.307
   44   2H8   A2G   7          2H8       A2G   7  17.685   4.329 -10.045
   45   3H8   A2G   7          3H8       A2G   7  17.787   5.235  -8.525
   46    H2   A2G  10           H2       A2G  10  13.583   2.180 -15.997
   47    H4   A2G  10           H4       A2G  10   9.527   2.563 -15.960
   48    H5   A2G  10           H5       A2G  10  10.180   1.848 -13.820
   49    H1   A2G  10           H1       A2G  10  13.611   1.534 -13.631
   50    H3   A2G  10           H3       A2G  10  11.225   4.040 -15.558
   51    HO4  A2G  10           HO4      A2G  10  11.358   0.748 -17.294
   52   1H6   A2G  10          1H6       A2G  10   8.793   0.108 -15.343
   53   2H6   A2G  10          2H6       A2G  10  10.200  -0.898 -15.031
   54    HN2  A2G  10           HN2      A2G  10  13.282   4.526 -14.225
   55   1H8   A2G  10          1H8       A2G  10  15.818   5.402 -14.079
   56   2H8   A2G  10          2H8       A2G  10  16.216   5.849 -15.748
   57   3H8   A2G  10          3H8       A2G  10  14.658   6.326 -15.050
   58    H2   A2G  13           H2       A2G  13  15.824  -3.268 -12.602
   59    H4   A2G  13           H4       A2G  13  14.311  -2.630  -8.848
   60    H5   A2G  13           H5       A2G  13  15.935  -0.970  -9.276
   61    H1   A2G  13           H1       A2G  13  17.391  -1.422 -12.382
   62    H3   A2G  13           H3       A2G  13  13.710  -1.907 -10.929
   63    HO4  A2G  13           HO4      A2G  13  15.934  -4.729 -10.013
   64   1H6   A2G  13          1H6       A2G  13  17.740  -3.158  -8.201
   65   2H6   A2G  13          2H6       A2G  13  17.651  -1.472  -7.743
   66    HN2  A2G  13           HN2      A2G  13  14.420  -0.702 -12.958
   67   1H8   A2G  13          1H8       A2G  13  13.812  -1.685 -16.288
   68   2H8   A2G  13          2H8       A2G  13  12.573  -1.443 -15.044
   69   3H8   A2G  13          3H8       A2G  13  13.948  -0.327 -15.155
  Start of MODEL   41
    1   1H    ACE   0          1H        ACE   0 -35.213  19.743 -31.754
    2   2H    ACE   0          2H        ACE   0 -36.194  18.440 -31.075
    3   3H    ACE   0          3H        ACE   0 -34.437  18.410 -30.893
    4    H    SER   1           H        SER   1 -35.688  18.056 -28.699
    5    HA   SER   1           HA       SER   1 -36.332  20.501 -27.301
    6   1HB   SER   1          1HB       SER   1 -36.584  18.978 -25.330
    7   2HB   SER   1          2HB       SER   1 -37.543  18.477 -26.721
    8    H    THR   2           H        THR   2 -35.286  20.377 -24.872
    9    HA   THR   2           HA       THR   2 -32.436  20.861 -25.323
   10    HB   THR   2           HB       THR   2 -32.673  21.867 -22.943
   11   1HG2  THR   2          1HG2      THR   2 -32.793  23.089 -25.259
   12   2HG2  THR   2          2HG2      THR   2 -34.474  23.331 -24.775
   13   3HG2  THR   2          3HG2      THR   2 -33.165  23.917 -23.748
   14    H    THR   3           H        THR   3 -31.588  20.548 -22.605
   15    HA   THR   3           HA       THR   3 -31.468  17.630 -22.460
   16    HB   THR   3           HB       THR   3 -29.533  18.153 -20.892
   17   1HG2  THR   3          1HG2      THR   3 -29.314  17.794 -23.433
   18   2HG2  THR   3          2HG2      THR   3 -29.076  19.542 -23.497
   19   3HG2  THR   3          3HG2      THR   3 -27.971  18.536 -22.561
   20    H    ALA   4           H        ALA   4 -31.172  16.832 -20.138
   21    HA   ALA   4           HA       ALA   4 -32.594  18.309 -18.118
   22   1HB   ALA   4          1HB       ALA   4 -33.866  15.825 -17.966
   23   2HB   ALA   4          2HB       ALA   4 -34.584  17.358 -18.454
   24   3HB   ALA   4          3HB       ALA   4 -33.922  16.266 -19.670
   25    H    VAL   5           H        VAL   5 -31.235  18.119 -16.465
   26    HA   VAL   5           HA       VAL   5 -29.686  15.673 -16.101
   27    HB   VAL   5           HB       VAL   5 -28.504  16.952 -14.308
   28   1HG1  VAL   5          1HG1      VAL   5 -28.567  18.365 -16.970
   29   2HG1  VAL   5          2HG1      VAL   5 -27.240  18.350 -15.808
   30   3HG1  VAL   5          3HG1      VAL   5 -27.700  16.866 -16.642
   31   1HG2  VAL   5          1HG2      VAL   5 -28.863  19.332 -14.066
   32   2HG2  VAL   5          2HG2      VAL   5 -30.113  19.308 -15.310
   33   3HG2  VAL   5          3HG2      VAL   5 -30.383  18.491 -13.770
   34    H2   A2G   7           H2       A2G   7 -35.248  14.910 -24.182
   35    H4   A2G   7           H4       A2G   7 -37.562  13.634 -27.325
   36    H5   A2G   7           H5       A2G   7 -37.542  16.064 -27.275
   37    H1   A2G   7           H1       A2G   7 -36.064  17.150 -24.302
   38    H3   A2G   7           H3       A2G   7 -35.385  14.333 -27.145
   39    HO4  A2G   7           HO4      A2G   7 -37.930  13.682 -24.436
   40   1H6   A2G   7          1H6       A2G   7 -39.806  16.083 -27.432
   41   2H6   A2G   7          2H6       A2G   7 -39.868  14.502 -26.688
   42    HN2  A2G   7           HN2      A2G   7 -33.871  16.243 -26.424
   43   1H8   A2G   7          1H8       A2G   7 -31.793  16.774 -25.986
   44   2H8   A2G   7          2H8       A2G   7 -30.980  16.210 -24.515
   45   3H8   A2G   7          3H8       A2G   7 -31.132  15.130 -25.911
   46    H2   A2G  10           H2       A2G  10 -35.558  21.172 -19.867
   47    H4   A2G  10           H4       A2G  10 -38.079  23.473 -22.085
   48    H5   A2G  10           H5       A2G  10 -35.934  23.497 -23.138
   49    H1   A2G  10           H1       A2G  10 -33.640  21.690 -21.269
   50    H3   A2G  10           H3       A2G  10 -37.506  21.252 -22.182
   51    HO4  A2G  10           HO4      A2G  10 -36.786  23.843 -19.511
   52   1H6   A2G  10          1H6       A2G  10 -35.241  25.786 -21.389
   53   2H6   A2G  10          2H6       A2G  10 -35.583  25.743 -23.104
   54    HN2  A2G  10           HN2      A2G  10 -35.612  19.609 -22.372
   55   1H8   A2G  10          1H8       A2G  10 -35.937  16.689 -20.461
   56   2H8   A2G  10          2H8       A2G  10 -36.056  17.425 -22.069
   57   3H8   A2G  10          3H8       A2G  10 -34.464  17.186 -21.318
   58    H2   A2G  13           H2       A2G  13 -29.391  21.570 -18.211
   59    H4   A2G  13           H4       A2G  13 -27.663  23.402 -21.422
   60    H5   A2G  13           H5       A2G  13 -27.874  21.118 -21.934
   61    H1   A2G  13           H1       A2G  13 -29.367  19.391 -19.331
   62    H3   A2G  13           H3       A2G  13 -29.839  23.066 -20.806
   63    HO4  A2G  13           HO4      A2G  13 -26.775  22.860 -18.711
   64   1H6   A2G  13          1H6       A2G  13 -25.406  22.123 -21.610
   65   2H6   A2G  13          2H6       A2G  13 -25.302  20.841 -20.403
   66    HN2  A2G  13           HN2      A2G  13 -31.598  21.609 -20.173
   67   1H8   A2G  13          1H8       A2G  13 -33.688  20.348 -18.299
   68   2H8   A2G  13          2H8       A2G  13 -33.766  21.921 -17.488
   69   3H8   A2G  13          3H8       A2G  13 -33.573  21.842 -19.245
  Start of MODEL   42
    1   1H    ACE   0          1H        ACE   0 -11.941   1.376 -10.211
    2   2H    ACE   0          2H        ACE   0 -10.241   1.014  -9.898
    3   3H    ACE   0          3H        ACE   0 -10.810   1.221 -11.558
    4    H    SER   1           H        SER   1 -10.875   3.130 -12.439
    5    HA   SER   1           HA       SER   1  -9.633   5.346 -11.074
    6   1HB   SER   1          1HB       SER   1  -9.817   6.487 -13.277
    7   2HB   SER   1          2HB       SER   1  -9.027   4.916 -13.393
    8    H    THR   2           H        THR   2 -10.672   7.617 -11.664
    9    HA   THR   2           HA       THR   2 -13.353   7.532 -10.501
   10    HB   THR   2           HB       THR   2 -12.887  10.096 -10.355
   11   1HG2  THR   2          1HG2      THR   2 -12.255   8.003  -8.630
   12   2HG2  THR   2          2HG2      THR   2 -10.840   9.059  -8.658
   13   3HG2  THR   2          3HG2      THR   2 -12.425   9.716  -8.245
   14    H    THR   3           H        THR   3 -14.140  10.158 -11.515
   15    HA   THR   3           HA       THR   3 -15.029   9.348 -14.169
   16    HB   THR   3           HB       THR   3 -16.588  11.395 -13.724
   17   1HG2  THR   3          1HG2      THR   3 -17.121   8.855 -13.477
   18   2HG2  THR   3          2HG2      THR   3 -17.056   9.213 -11.749
   19   3HG2  THR   3          3HG2      THR   3 -18.209  10.060 -12.782
   20    H    ALA   4           H        ALA   4 -14.726  10.639 -15.974
   21    HA   ALA   4           HA       ALA   4 -12.579  12.551 -15.757
   22   1HB   ALA   4          1HB       ALA   4 -12.775  10.772 -17.575
   23   2HB   ALA   4          2HB       ALA   4 -14.038  11.780 -18.281
   24   3HB   ALA   4          3HB       ALA   4 -12.397  12.407 -18.116
   25    H    VAL   5           H        VAL   5 -13.791  13.905 -18.237
   26    HA   VAL   5           HA       VAL   5 -15.218  15.953 -16.731
   27    HB   VAL   5           HB       VAL   5 -15.027  17.318 -18.803
   28   1HG1  VAL   5          1HG1      VAL   5 -12.593  17.649 -18.682
   29   2HG1  VAL   5          2HG1      VAL   5 -13.336  17.509 -17.088
   30   3HG1  VAL   5          3HG1      VAL   5 -12.448  16.147 -17.773
   31   1HG2  VAL   5          1HG2      VAL   5 -13.346  15.038 -19.859
   32   2HG2  VAL   5          2HG2      VAL   5 -14.985  15.403 -20.397
   33   3HG2  VAL   5          3HG2      VAL   5 -13.687  16.566 -20.668
   34    H2   A2G   7           H2       A2G   7 -11.599   5.445 -17.338
   35    H4   A2G   7           H4       A2G   7 -10.936   1.469 -16.414
   36    H5   A2G   7           H5       A2G   7 -10.243   2.896 -14.569
   37    H1   A2G   7           H1       A2G   7 -10.167   6.210 -15.606
   38    H3   A2G   7           H3       A2G   7 -12.629   2.958 -15.982
   39    HO4  A2G   7           HO4      A2G   7  -9.638   3.350 -18.224
   40   1H6   A2G   7          1H6       A2G   7  -8.362   1.415 -16.212
   41   2H6   A2G   7          2H6       A2G   7  -7.548   2.818 -15.529
   42    HN2  A2G   7           HN2      A2G   7 -13.070   5.147 -14.794
   43   1H8   A2G   7          1H8       A2G   7 -14.940   6.129 -14.638
   44   2H8   A2G   7          2H8       A2G   7 -14.830   7.744 -15.361
   45   3H8   A2G   7          3H8       A2G   7 -15.832   6.499 -16.125
   46    H2   A2G  10           H2       A2G  10 -10.292  12.073 -13.167
   47    H4   A2G  10           H4       A2G  10  -7.434  11.270 -10.386
   48    H5   A2G  10           H5       A2G  10  -9.512  10.671  -9.435
   49    H1   A2G  10           H1       A2G  10 -12.082  11.274 -11.693
   50    H3   A2G  10           H3       A2G  10  -8.362  10.008 -12.054
   51    HO4  A2G  10           HO4      A2G  10  -8.595  13.723 -11.422
   52   1H6   A2G  10          1H6       A2G  10  -9.524  12.128  -7.674
   53   2H6   A2G  10          2H6       A2G  10  -8.184  12.900  -8.505
   54    HN2  A2G  10           HN2      A2G  10 -10.419   9.120 -13.131
   55   1H8   A2G  10          1H8       A2G  10 -11.891   9.156 -16.142
   56   2H8   A2G  10          2H8       A2G  10 -10.151   8.843 -16.278
   57   3H8   A2G  10          3H8       A2G  10 -11.066   8.185 -14.909
   58    H2   A2G  13           H2       A2G  13 -16.191  14.588 -10.850
   59    H4   A2G  13           H4       A2G  13 -17.125  11.769  -8.033
   60    H5   A2G  13           H5       A2G  13 -17.366  10.783 -10.175
   61    H1   A2G  13           H1       A2G  13 -16.744  13.082 -12.679
   62    H3   A2G  13           H3       A2G  13 -15.183  12.360  -9.074
   63    HO4  A2G  13           HO4      A2G  13 -18.443  14.192  -8.956
   64   1H6   A2G  13          1H6       A2G  13 -19.689  11.452  -8.661
   65   2H6   A2G  13          2H6       A2G  13 -20.114  11.672 -10.342
   66    HN2  A2G  13           HN2      A2G  13 -14.015  12.642 -11.301
   67   1H8   A2G  13          1H8       A2G  13 -11.735  14.312 -10.741
   68   2H8   A2G  13          2H8       A2G  13 -12.220  13.654 -12.312
   69   3H8   A2G  13          3H8       A2G  13 -11.958  15.397 -12.123
  Start of MODEL   43
    1   1H    ACE   0          1H        ACE   0  34.039  43.791  -9.522
    2   2H    ACE   0          2H        ACE   0  34.802  42.974  -8.154
    3   3H    ACE   0          3H        ACE   0  35.748  43.354  -9.597
    4    H    SER   1           H        SER   1  33.505  45.072  -7.503
    5    HA   SER   1           HA       SER   1  35.511  46.929  -6.585
    6   1HB   SER   1          1HB       SER   1  34.565  48.911  -7.520
    7   2HB   SER   1          2HB       SER   1  34.735  47.773  -8.860
    8    H    THR   2           H        THR   2  34.524  48.606  -5.146
    9    HA   THR   2           HA       THR   2  32.432  47.364  -3.520
   10    HB   THR   2           HB       THR   2  33.232  49.276  -1.912
   11   1HG2  THR   2          1HG2      THR   2  34.311  46.655  -2.440
   12   2HG2  THR   2          2HG2      THR   2  35.537  47.753  -1.801
   13   3HG2  THR   2          3HG2      THR   2  34.040  47.484  -0.907
   14    H    THR   3           H        THR   3  31.594  49.684  -2.162
   15    HA   THR   3           HA       THR   3  29.876  50.916  -4.170
   16    HB   THR   3           HB       THR   3  28.691  51.582  -1.907
   17   1HG2  THR   3          1HG2      THR   3  27.431  49.580  -1.912
   18   2HG2  THR   3          2HG2      THR   3  27.908  49.871  -3.586
   19   3HG2  THR   3          3HG2      THR   3  28.768  48.671  -2.618
   20    H    ALA   4           H        ALA   4  29.199  53.220  -3.543
   21    HA   ALA   4           HA       ALA   4  31.201  54.776  -2.186
   22   1HB   ALA   4          1HB       ALA   4  31.778  54.360  -4.741
   23   2HB   ALA   4          2HB       ALA   4  30.634  55.677  -4.974
   24   3HB   ALA   4          3HB       ALA   4  32.072  55.921  -3.981
   25    H    VAL   5           H        VAL   5  30.234  57.192  -3.706
   26    HA   VAL   5           HA       VAL   5  27.811  57.615  -2.145
   27    HB   VAL   5           HB       VAL   5  29.388  59.617  -3.784
   28   1HG1  VAL   5          1HG1      VAL   5  27.186  60.438  -3.456
   29   2HG1  VAL   5          2HG1      VAL   5  27.175  59.932  -1.766
   30   3HG1  VAL   5          3HG1      VAL   5  28.214  61.260  -2.285
   31   1HG2  VAL   5          1HG2      VAL   5  30.812  58.772  -2.044
   32   2HG2  VAL   5          2HG2      VAL   5  30.246  60.370  -1.555
   33   3HG2  VAL   5          3HG2      VAL   5  29.526  58.923  -0.848
   34    H2   A2G   7           H2       A2G   7  30.595  49.335 -10.222
   35    H4   A2G   7           H4       A2G   7  31.587  45.477 -11.227
   36    H5   A2G   7           H5       A2G   7  33.216  46.341  -9.645
   37    H1   A2G   7           H1       A2G   7  32.730  49.776  -9.250
   38    H3   A2G   7           H3       A2G   7  30.431  46.427  -9.473
   39    HO4  A2G   7           HO4      A2G   7  31.842  48.004 -12.645
   40   1H6   A2G   7          1H6       A2G   7  35.212  46.366 -11.006
   41   2H6   A2G   7          2H6       A2G   7  34.080  45.288 -11.805
   42    HN2  A2G   7           HN2      A2G   7  30.684  48.086  -7.551
   43   1H8   A2G   7          1H8       A2G   7  29.044  50.148  -6.206
   44   2H8   A2G   7          2H8       A2G   7  27.549  49.445  -6.849
   45   3H8   A2G   7          3H8       A2G   7  28.867  48.387  -6.316
   46    H2   A2G  10           H2       A2G  10  35.352  52.841  -2.967
   47    H4   A2G  10           H4       A2G  10  38.624  50.476  -3.357
   48    H5   A2G  10           H5       A2G  10  36.907  49.157  -2.379
   49    H1   A2G  10           H1       A2G  10  34.023  51.046  -1.957
   50    H3   A2G  10           H3       A2G  10  36.812  50.854  -4.721
   51    HO4  A2G  10           HO4      A2G  10  37.930  52.646  -1.558
   52   1H6   A2G  10          1H6       A2G  10  37.501  49.032   0.001
   53   2H6   A2G  10          2H6       A2G  10  38.944  49.225  -0.977
   54    HN2  A2G  10           HN2      A2G  10  34.416  50.982  -5.065
   55   1H8   A2G  10          1H8       A2G  10  32.964  53.597  -6.698
   56   2H8   A2G  10          2H8       A2G  10  33.201  51.842  -6.603
   57   3H8   A2G  10          3H8       A2G  10  31.870  52.609  -5.709
   58    H2   A2G  13           H2       A2G  13  29.510  50.462   2.323
   59    H4   A2G  13           H4       A2G  13  30.256  46.671   0.885
   60    H5   A2G  13           H5       A2G  13  29.421  48.025  -0.884
   61    H1   A2G  13           H1       A2G  13  28.515  51.164   0.241
   62    H3   A2G  13           H3       A2G  13  31.516  48.583   1.058
   63    HO4  A2G  13           HO4      A2G  13  28.329  47.765   2.764
   64   1H6   A2G  13          1H6       A2G  13  28.116  45.863  -0.362
   65   2H6   A2G  13          2H6       A2G  13  26.862  46.884   0.315
   66    HN2  A2G  13           HN2      A2G  13  31.612  51.013   0.326
   67   1H8   A2G  13          1H8       A2G  13  32.300  53.795   1.592
   68   2H8   A2G  13          2H8       A2G  13  33.377  52.796   2.585
   69   3H8   A2G  13          3H8       A2G  13  33.121  52.394   0.877
  Start of MODEL   44
    1   1H    ACE   0          1H        ACE   0  63.065  14.143 -16.803
    2   2H    ACE   0          2H        ACE   0  61.710  15.123 -16.234
    3   3H    ACE   0          3H        ACE   0  61.604  14.286 -17.785
    4    H    SER   1           H        SER   1  62.357  13.593 -14.415
    5    HA   SER   1           HA       SER   1  61.286  10.917 -14.562
    6   1HB   SER   1          1HB       SER   1  62.065  10.642 -12.329
    7   2HB   SER   1          2HB       SER   1  63.276  11.641 -13.136
    8    H    THR   2           H        THR   2  59.748  10.153 -12.851
    9    HA   THR   2           HA       THR   2  57.445  11.962 -12.777
   10    HB   THR   2           HB       THR   2  56.306   9.751 -12.012
   11   1HG2  THR   2          1HG2      THR   2  56.413   8.782 -14.352
   12   2HG2  THR   2          2HG2      THR   2  55.792  10.423 -14.180
   13   3HG2  THR   2          3HG2      THR   2  57.441  10.160 -14.748
   14    H    THR   3           H        THR   3  56.144  10.645 -10.546
   15    HA   THR   3           HA       THR   3  57.603  11.894  -8.347
   16    HB   THR   3           HB       THR   3  55.302  11.517  -7.210
   17   1HG2  THR   3          1HG2      THR   3  54.399  13.518  -8.027
   18   2HG2  THR   3          2HG2      THR   3  56.144  13.710  -8.194
   19   3HG2  THR   3          3HG2      THR   3  55.161  13.317  -9.605
   20    H    ALA   4           H        ALA   4  58.059  10.771  -6.441
   21    HA   ALA   4           HA       ALA   4  58.206   7.911  -6.753
   22   1HB   ALA   4          1HB       ALA   4  60.043   9.468  -5.806
   23   2HB   ALA   4          2HB       ALA   4  59.104   9.420  -4.314
   24   3HB   ALA   4          3HB       ALA   4  59.754   7.929  -4.997
   25    H    VAL   5           H        VAL   5  58.084   7.698  -3.715
   26    HA   VAL   5           HA       VAL   5  55.251   8.078  -3.186
   27    HB   VAL   5           HB       VAL   5  55.136   5.641  -2.333
   28   1HG1  VAL   5          1HG1      VAL   5  53.919   6.629  -4.296
   29   2HG1  VAL   5          2HG1      VAL   5  55.207   5.997  -5.321
   30   3HG1  VAL   5          3HG1      VAL   5  54.204   4.892  -4.382
   31   1HG2  VAL   5          1HG2      VAL   5  57.539   5.148  -2.627
   32   2HG2  VAL   5          2HG2      VAL   5  56.517   4.029  -3.528
   33   3HG2  VAL   5          3HG2      VAL   5  57.353   5.334  -4.370
   34    H2   A2G   7           H2       A2G   7  62.991  13.504  -8.769
   35    H4   A2G   7           H4       A2G   7  64.897  15.599 -11.742
   36    H5   A2G   7           H5       A2G   7  63.900  13.627 -12.702
   37    H1   A2G   7           H1       A2G   7  62.661  11.578 -10.156
   38    H3   A2G   7           H3       A2G   7  62.746  15.569 -10.943
   39    HO4  A2G   7           HO4      A2G   7  65.889  13.934  -9.578
   40   1H6   A2G   7          1H6       A2G   7  65.879  12.245 -13.222
   41   2H6   A2G   7          2H6       A2G   7  66.321  13.945 -13.232
   42    HN2  A2G   7           HN2      A2G   7  60.744  14.006 -10.612
   43   1H8   A2G   7          1H8       A2G   7  58.614  13.752  -8.130
   44   2H8   A2G   7          2H8       A2G   7  58.943  15.482  -8.336
   45   3H8   A2G   7          3H8       A2G   7  58.874  14.418  -9.752
   46    H2   A2G  10           H2       A2G  10  58.286   6.472 -10.025
   47    H4   A2G  10           H4       A2G  10  59.050   5.221 -13.816
   48    H5   A2G  10           H5       A2G  10  57.658   7.137 -13.969
   49    H1   A2G  10           H1       A2G  10  56.863   8.301 -10.801
   50    H3   A2G  10           H3       A2G  10  60.098   6.704 -12.436
   51    HO4  A2G  10           HO4      A2G  10  57.384   4.182 -11.675
   52   1H6   A2G  10          1H6       A2G  10  55.283   5.458 -13.648
   53   2H6   A2G  10          2H6       A2G  10  55.977   6.132 -15.110
   54    HN2  A2G  10           HN2      A2G  10  59.912   8.735 -11.012
   55   1H8   A2G  10          1H8       A2G  10  60.756   9.441  -7.738
   56   2H8   A2G  10          2H8       A2G  10  61.964   8.709  -8.808
   57   3H8   A2G  10          3H8       A2G  10  60.840   9.926  -9.441
   58    H2   A2G  13           H2       A2G  13  52.140   8.734  -8.297
   59    H4   A2G  13           H4       A2G  13  51.241  11.581 -11.116
   60    H5   A2G  13           H5       A2G  13  53.007  12.380  -9.758
   61    H1   A2G  13           H1       A2G  13  53.799  10.166  -7.248
   62    H3   A2G  13           H3       A2G  13  52.675   9.786 -11.080
   63    HO4  A2G  13           HO4      A2G  13  49.778  10.405  -8.907
   64   1H6   A2G  13          1H6       A2G  13  51.298  14.064  -9.821
   65   2H6   A2G  13          2H6       A2G  13  50.337  13.272  -8.589
   66    HN2  A2G  13           HN2      A2G  13  54.650   8.751  -9.842
   67   1H8   A2G  13          1H8       A2G  13  54.805   5.238  -9.240
   68   2H8   A2G  13          2H8       A2G  13  54.838   6.184 -10.737
   69   3H8   A2G  13          3H8       A2G  13  55.802   6.700  -9.343
  Start of MODEL   45
    1   1H    ACE   0          1H        ACE   0  29.355   2.940 -11.703
    2   2H    ACE   0          2H        ACE   0  27.740   3.414 -11.169
    3   3H    ACE   0          3H        ACE   0  29.011   3.114  -9.980
    4    H    SER   1           H        SER   1  27.928   5.309  -9.525
    5    HA   SER   1           HA       SER   1  28.972   7.535 -11.034
    6   1HB   SER   1          1HB       SER   1  27.844   8.901  -9.257
    7   2HB   SER   1          2HB       SER   1  26.772   7.759 -10.064
    8    H    THR   2           H        THR   2  29.586   9.365  -8.978
    9    HA   THR   2           HA       THR   2  32.249   8.404  -8.258
   10    HB   THR   2           HB       THR   2  32.561  10.874  -7.637
   11   1HG2  THR   2          1HG2      THR   2  32.059  11.420 -10.293
   12   2HG2  THR   2          2HG2      THR   2  33.569  10.813  -9.610
   13   3HG2  THR   2          3HG2      THR   2  32.384   9.685 -10.269
   14    H    THR   3           H        THR   3  32.865   9.997  -6.104
   15    HA   THR   3           HA       THR   3  31.284   8.758  -3.970
   16    HB   THR   3           HB       THR   3  33.339   9.453  -2.604
   17   1HG2  THR   3          1HG2      THR   3  34.569   7.575  -3.164
   18   2HG2  THR   3          2HG2      THR   3  32.949   7.154  -3.723
   19   3HG2  THR   3          3HG2      THR   3  34.167   7.705  -4.877
   20    H    ALA   4           H        ALA   4  30.604  10.007  -2.164
   21    HA   ALA   4           HA       ALA   4  30.021  12.741  -2.859
   22   1HB   ALA   4          1HB       ALA   4  29.214  11.316  -0.327
   23   2HB   ALA   4          2HB       ALA   4  28.437  12.703  -1.091
   24   3HB   ALA   4          3HB       ALA   4  28.347  11.113  -1.848
   25    H    VAL   5           H        VAL   5  29.901  13.332   0.128
   26    HA   VAL   5           HA       VAL   5  32.717  13.539   0.825
   27    HB   VAL   5           HB       VAL   5  32.331  16.037   1.370
   28   1HG1  VAL   5          1HG1      VAL   5  33.828  15.075  -0.406
   29   2HG1  VAL   5          2HG1      VAL   5  32.513  15.342  -1.552
   30   3HG1  VAL   5          3HG1      VAL   5  33.242  16.710  -0.711
   31   1HG2  VAL   5          1HG2      VAL   5  30.759  17.208  -0.081
   32   2HG2  VAL   5          2HG2      VAL   5  30.229  15.675  -0.774
   33   3HG2  VAL   5          3HG2      VAL   5  29.906  16.036   0.922
   34    H2   A2G   7           H2       A2G   7  25.836   8.111  -5.312
   35    H4   A2G   7           H4       A2G   7  23.689   5.228  -7.311
   36    H5   A2G   7           H5       A2G   7  25.388   6.163  -8.791
   37    H1   A2G   7           H1       A2G   7  26.719   9.041  -7.315
   38    H3   A2G   7           H3       A2G   7  25.704   5.241  -6.185
   39    HO4  A2G   7           HO4      A2G   7  23.083   7.973  -6.539
   40   1H6   A2G   7          1H6       A2G   7  23.877   6.559 -10.469
   41   2H6   A2G   7          2H6       A2G   7  22.661   6.293  -9.238
   42    HN2  A2G   7           HN2      A2G   7  28.014   6.351  -6.232
   43   1H8   A2G   7          1H8       A2G   7  29.686   6.172  -4.942
   44   2H8   A2G   7          2H8       A2G   7  29.857   7.297  -3.582
   45   3H8   A2G   7          3H8       A2G   7  29.111   5.709  -3.329
   46    H2   A2G  10           H2       A2G  10  29.571  13.579  -6.190
   47    H4   A2G  10           H4       A2G  10  28.636  14.164 -10.113
   48    H5   A2G  10           H5       A2G  10  30.592  12.830 -10.032
   49    H1   A2G  10           H1       A2G  10  31.560  12.281  -6.746
   50    H3   A2G  10           H3       A2G  10  28.068  12.519  -8.616
   51    HO4  A2G  10           HO4      A2G  10  29.643  15.879  -7.993
   52   1H6   A2G  10          1H6       A2G  10  30.756  15.457 -10.900
   53   2H6   A2G  10          2H6       A2G  10  32.122  15.363  -9.793
   54    HN2  A2G  10           HN2      A2G  10  28.839  10.823  -6.958
   55   1H8   A2G  10          1H8       A2G  10  26.914  10.507  -4.271
   56   2H8   A2G  10          2H8       A2G  10  27.865   9.659  -5.504
   57   3H8   A2G  10          3H8       A2G  10  28.547   9.930  -3.890
   58    H2   A2G  13           H2       A2G  13  36.255  12.555  -3.356
   59    H4   A2G  13           H4       A2G  13  37.890   9.880  -6.040
   60    H5   A2G  13           H5       A2G  13  35.993   8.889  -4.978
   61    H1   A2G  13           H1       A2G  13  34.749  10.894  -2.476
   62    H3   A2G  13           H3       A2G  13  36.275  11.508  -6.174
   63    HO4  A2G  13           HO4      A2G  13  38.806  10.995  -3.511
   64   1H6   A2G  13          1H6       A2G  13  37.476   7.157  -4.799
   65   2H6   A2G  13          2H6       A2G  13  38.678   8.072  -3.921
   66    HN2  A2G  13           HN2      A2G  13  34.242  12.279  -5.483
   67   1H8   A2G  13          1H8       A2G  13  32.873  13.863  -5.709
   68   2H8   A2G  13          2H8       A2G  13  32.239  14.446  -4.158
   69   3H8   A2G  13          3H8       A2G  13  33.374  15.446  -5.084
  Start of MODEL   46
    1   1H    ACE   0          1H        ACE   0   3.075  -2.685 -64.926
    2   2H    ACE   0          2H        ACE   0   2.204  -1.191 -64.565
    3   3H    ACE   0          3H        ACE   0   2.150  -1.874 -66.193
    4    H    SER   1           H        SER   1   1.275  -4.048 -66.389
    5    HA   SER   1           HA       SER   1  -1.261  -4.207 -65.015
    6   1HB   SER   1          1HB       SER   1  -1.711  -6.078 -66.581
    7   2HB   SER   1          2HB       SER   1  -1.180  -4.617 -67.414
    8    H    THR   2           H        THR   2  -1.856  -6.842 -64.798
    9    HA   THR   2           HA       THR   2  -0.167  -7.640 -62.551
   10    HB   THR   2           HB       THR   2  -2.051  -9.274 -62.120
   11   1HG2  THR   2          1HG2      THR   2  -3.109  -7.791 -60.839
   12   2HG2  THR   2          2HG2      THR   2  -1.877  -6.662 -61.409
   13   3HG2  THR   2          3HG2      THR   2  -3.457  -6.717 -62.196
   14    H    THR   3           H        THR   3  -0.517 -10.248 -62.294
   15    HA   THR   3           HA       THR   3   0.941 -11.393 -64.569
   16    HB   THR   3           HB       THR   3   1.511 -13.172 -62.835
   17   1HG2  THR   3          1HG2      THR   3   3.126 -11.839 -61.636
   18   2HG2  THR   3          2HG2      THR   3   3.076 -11.345 -63.330
   19   3HG2  THR   3          3HG2      THR   3   2.280 -10.362 -62.100
   20    H    ALA   4           H        ALA   4   0.581 -13.959 -64.479
   21    HA   ALA   4           HA       ALA   4  -2.162 -14.715 -64.028
   22   1HB   ALA   4          1HB       ALA   4  -1.488 -13.718 -66.553
   23   2HB   ALA   4          2HB       ALA   4  -1.543 -15.469 -66.748
   24   3HB   ALA   4          3HB       ALA   4  -2.945 -14.606 -66.115
   25    H    VAL   5           H        VAL   5  -1.943 -16.596 -63.032
   26    HA   VAL   5           HA       VAL   5   0.312 -18.335 -63.650
   27    HB   VAL   5           HB       VAL   5  -0.237 -17.837 -61.283
   28   1HG1  VAL   5          1HG1      VAL   5  -2.178 -18.642 -60.207
   29   2HG1  VAL   5          2HG1      VAL   5  -2.733 -17.809 -61.659
   30   3HG1  VAL   5          3HG1      VAL   5  -2.671 -19.571 -61.621
   31   1HG2  VAL   5          1HG2      VAL   5   0.119 -20.045 -60.469
   32   2HG2  VAL   5          2HG2      VAL   5  -0.661 -20.762 -61.880
   33   3HG2  VAL   5          3HG2      VAL   5   0.899 -19.956 -62.047
   34    H2   A2G   7           H2       A2G   7   0.662  -8.719 -69.321
   35    H4   A2G   7           H4       A2G   7   1.886  -5.161 -70.984
   36    H5   A2G   7           H5       A2G   7   0.494  -4.686 -69.086
   37    H1   A2G   7           H1       A2G   7  -0.999  -7.656 -67.978
   38    H3   A2G   7           H3       A2G   7   2.678  -6.501 -69.308
   39    HO4  A2G   7           HO4      A2G   7  -0.063  -7.163 -71.810
   40   1H6   A2G   7          1H6       A2G   7  -0.851  -3.283 -70.282
   41   2H6   A2G   7          2H6       A2G   7  -0.218  -4.051 -71.726
   42    HN2  A2G   7           HN2      A2G   7   2.040  -7.414 -67.066
   43   1H8   A2G   7          1H8       A2G   7   2.805 -10.453 -65.816
   44   2H8   A2G   7          2H8       A2G   7   4.169  -9.689 -66.653
   45   3H8   A2G   7          3H8       A2G   7   3.040  -8.699 -65.710
   46    H2   A2G  10           H2       A2G  10  -4.859 -11.220 -64.686
   47    H4   A2G  10           H4       A2G  10  -6.819  -7.639 -64.897
   48    H5   A2G  10           H5       A2G  10  -5.038  -7.437 -63.334
   49    H1   A2G  10           H1       A2G  10  -3.392 -10.447 -62.915
   50    H3   A2G  10           H3       A2G  10  -4.991  -8.491 -66.007
   51    HO4  A2G  10           HO4      A2G  10  -7.512 -10.285 -63.921
   52   1H6   A2G  10          1H6       A2G  10  -7.388  -6.911 -62.460
   53   2H6   A2G  10          2H6       A2G  10  -7.346  -8.449 -61.617
   54    HN2  A2G  10           HN2      A2G  10  -2.706  -9.521 -65.778
   55   1H8   A2G  10          1H8       A2G  10  -0.976 -11.766 -66.660
   56   2H8   A2G  10          2H8       A2G  10  -1.989 -12.013 -68.095
   57   3H8   A2G  10          3H8       A2G  10  -1.655 -10.371 -67.519
   58    H2   A2G  13           H2       A2G  13  -1.003 -14.393 -59.503
   59    H4   A2G  13           H4       A2G  13   0.827 -11.250 -57.625
   60    H5   A2G  13           H5       A2G  13   1.894 -11.559 -59.702
   61    H1   A2G  13           H1       A2G  13   0.465 -14.181 -61.451
   62    H3   A2G  13           H3       A2G  13  -1.002 -11.418 -58.980
   63    HO4  A2G  13           HO4      A2G  13   0.743 -14.101 -57.093
   64   1H6   A2G  13          1H6       A2G  13   3.256 -12.158 -57.418
   65   2H6   A2G  13          2H6       A2G  13   3.533 -13.640 -58.329
   66    HN2  A2G  13           HN2      A2G  13  -1.960 -12.029 -60.987
   67   1H8   A2G  13          1H8       A2G  13  -3.869 -12.209 -61.892
   68   2H8   A2G  13          2H8       A2G  13  -3.840 -13.652 -62.921
   69   3H8   A2G  13          3H8       A2G  13  -4.904 -13.594 -61.506
  Start of MODEL   47
    1   1H    ACE   0          1H        ACE   0 -20.483 -30.938 -25.680
    2   2H    ACE   0          2H        ACE   0 -18.744 -30.639 -25.604
    3   3H    ACE   0          3H        ACE   0 -19.733 -30.473 -24.151
    4    H    SER   1           H        SER   1 -19.128 -32.828 -26.707
    5    HA   SER   1           HA       SER   1 -18.293 -34.868 -24.820
    6   1HB   SER   1          1HB       SER   1 -20.033 -36.482 -25.544
    7   2HB   SER   1          2HB       SER   1 -20.746 -35.077 -24.738
    8    H    THR   2           H        THR   2 -17.138 -36.523 -25.790
    9    HA   THR   2           HA       THR   2 -16.495 -36.113 -28.620
   10    HB   THR   2           HB       THR   2 -14.573 -37.686 -28.084
   11   1HG2  THR   2          1HG2      THR   2 -13.231 -35.968 -27.591
   12   2HG2  THR   2          2HG2      THR   2 -14.687 -35.000 -27.817
   13   3HG2  THR   2          3HG2      THR   2 -14.191 -35.480 -26.194
   14    H    THR   3           H        THR   3 -15.507 -38.521 -29.343
   15    HA   THR   3           HA       THR   3 -17.886 -40.234 -29.410
   16    HB   THR   3           HB       THR   3 -16.661 -41.195 -31.453
   17   1HG2  THR   3          1HG2      THR   3 -17.309 -39.395 -32.934
   18   2HG2  THR   3          2HG2      THR   3 -18.534 -39.618 -31.685
   19   3HG2  THR   3          3HG2      THR   3 -17.389 -38.279 -31.569
   20    H    ALA   4           H        ALA   4 -17.471 -42.590 -29.459
   21    HA   ALA   4           HA       ALA   4 -15.520 -43.264 -27.451
   22   1HB   ALA   4          1HB       ALA   4 -17.391 -45.177 -28.836
   23   2HB   ALA   4          2HB       ALA   4 -16.664 -45.323 -27.235
   24   3HB   ALA   4          3HB       ALA   4 -17.921 -44.122 -27.527
   25    H    VAL   5           H        VAL   5 -15.456 -46.063 -28.695
   26    HA   VAL   5           HA       VAL   5 -13.035 -45.595 -30.244
   27    HB   VAL   5           HB       VAL   5 -14.217 -48.212 -29.277
   28   1HG1  VAL   5          1HG1      VAL   5 -11.572 -47.520 -30.534
   29   2HG1  VAL   5          2HG1      VAL   5 -11.853 -49.015 -29.641
   30   3HG1  VAL   5          3HG1      VAL   5 -12.782 -48.670 -31.100
   31   1HG2  VAL   5          1HG2      VAL   5 -13.627 -46.806 -27.392
   32   2HG2  VAL   5          2HG2      VAL   5 -12.442 -48.104 -27.547
   33   3HG2  VAL   5          3HG2      VAL   5 -12.044 -46.474 -28.094
   34    H2   A2G   7           H2       A2G   7 -23.313 -36.416 -28.621
   35    H4   A2G   7           H4       A2G   7 -23.944 -32.472 -27.539
   36    H5   A2G   7           H5       A2G   7 -22.201 -33.427 -26.148
   37    H1   A2G   7           H1       A2G   7 -22.025 -36.856 -26.639
   38    H3   A2G   7           H3       A2G   7 -22.472 -33.531 -28.957
   39    HO4  A2G   7           HO4      A2G   7 -25.466 -34.915 -27.102
   40   1H6   A2G   7          1H6       A2G   7 -23.180 -32.909 -24.140
   41   2H6   A2G   7          2H6       A2G   7 -24.559 -32.460 -25.130
   42    HN2  A2G   7           HN2      A2G   7 -20.772 -35.018 -29.201
   43   1H8   A2G   7          1H8       A2G   7 -19.107 -36.479 -30.006
   44   2H8   A2G   7          2H8       A2G   7 -19.633 -37.927 -30.883
   45   3H8   A2G   7          3H8       A2G   7 -20.028 -36.318 -31.512
   46    H2   A2G  10           H2       A2G  10 -13.992 -40.685 -25.079
   47    H4   A2G  10           H4       A2G  10 -13.644 -37.642 -22.387
   48    H5   A2G  10           H5       A2G  10 -13.788 -36.684 -24.578
   49    H1   A2G  10           H1       A2G  10 -13.918 -39.176 -26.986
   50    H3   A2G  10           H3       A2G  10 -15.462 -38.677 -23.345
   51    HO4  A2G  10           HO4      A2G  10 -11.793 -39.622 -23.418
   52   1H6   A2G  10          1H6       A2G  10 -10.886 -36.907 -24.867
   53   2H6   A2G  10          2H6       A2G  10 -11.858 -35.512 -24.455
   54    HN2  A2G  10           HN2      A2G  10 -16.606 -39.370 -25.459
   55   1H8   A2G  10          1H8       A2G  10 -17.967 -42.638 -25.943
   56   2H8   A2G  10          2H8       A2G  10 -18.366 -41.154 -25.060
   57   3H8   A2G  10          3H8       A2G  10 -17.967 -41.077 -26.785
   58    H2   A2G  13           H2       A2G  13 -12.312 -41.029 -32.118
   59    H4   A2G  13           H4       A2G  13 -13.337 -37.400 -33.690
   60    H5   A2G  13           H5       A2G  13 -15.322 -38.568 -33.196
   61    H1   A2G  13           H1       A2G  13 -14.673 -41.632 -31.795
   62    H3   A2G  13           H3       A2G  13 -12.871 -38.102 -31.565
   63    HO4  A2G  13           HO4      A2G  13 -12.102 -39.781 -34.802
   64   1H6   A2G  13          1H6       A2G  13 -14.615 -38.163 -35.812
   65   2H6   A2G  13          2H6       A2G  13 -15.033 -39.870 -35.841
   66    HN2  A2G  13           HN2      A2G  13 -13.490 -39.763 -29.731
   67   1H8   A2G  13          1H8       A2G  13 -11.874 -39.739 -27.934
   68   2H8   A2G  13          2H8       A2G  13 -12.528 -41.381 -27.790
   69   3H8   A2G  13          3H8       A2G  13 -10.775 -41.128 -27.865
  Start of MODEL   48
    1   1H    ACE   0          1H        ACE   0 -24.902  -0.833  13.370
    2   2H    ACE   0          2H        ACE   0 -24.675   0.665  12.461
    3   3H    ACE   0          3H        ACE   0 -23.290  -0.128  13.218
    4    H    SER   1           H        SER   1 -23.354  -2.592  12.612
    5    HA   SER   1           HA       SER   1 -23.990  -3.129   9.843
    6   1HB   SER   1          1HB       SER   1 -21.472  -3.769   9.478
    7   2HB   SER   1          2HB       SER   1 -21.968  -2.082   9.299
    8    H    THR   2           H        THR   2 -23.146  -5.356   9.205
    9    HA   THR   2           HA       THR   2 -23.609  -7.160  11.458
   10    HB   THR   2           HB       THR   2 -23.767  -8.889   9.593
   11   1HG2  THR   2          1HG2      THR   2 -25.972  -8.595   9.482
   12   2HG2  THR   2          2HG2      THR   2 -25.703  -7.231  10.567
   13   3HG2  THR   2          3HG2      THR   2 -25.820  -6.964   8.827
   14    H    THR   3           H        THR   3 -22.491  -9.442  10.720
   15    HA   THR   3           HA       THR   3 -19.617  -8.927  10.922
   16    HB   THR   3           HB       THR   3 -19.675 -11.372  11.742
   17   1HG2  THR   3          1HG2      THR   3 -21.350  -9.489  13.374
   18   2HG2  THR   3          2HG2      THR   3 -20.325 -10.807  13.950
   19   3HG2  THR   3          3HG2      THR   3 -19.594  -9.358  13.256
   20    H    ALA   4           H        ALA   4 -18.356 -10.960  10.049
   21    HA   ALA   4           HA       ALA   4 -19.468 -12.108   7.653
   22   1HB   ALA   4          1HB       ALA   4 -18.002  -9.700   7.461
   23   2HB   ALA   4          2HB       ALA   4 -16.962 -10.981   6.841
   24   3HB   ALA   4          3HB       ALA   4 -18.565 -10.734   6.150
   25    H    VAL   5           H        VAL   5 -18.838 -14.151   7.661
   26    HA   VAL   5           HA       VAL   5 -16.443 -14.931   9.128
   27    HB   VAL   5           HB       VAL   5 -18.560 -16.164   9.508
   28   1HG1  VAL   5          1HG1      VAL   5 -19.549 -17.571   7.883
   29   2HG1  VAL   5          2HG1      VAL   5 -19.326 -16.001   7.111
   30   3HG1  VAL   5          3HG1      VAL   5 -18.218 -17.326   6.753
   31   1HG2  VAL   5          1HG2      VAL   5 -16.510 -17.972   8.233
   32   2HG2  VAL   5          2HG2      VAL   5 -16.269 -17.190   9.796
   33   3HG2  VAL   5          3HG2      VAL   5 -17.591 -18.336   9.576
   34    H2   A2G   7           H2       A2G   7 -17.740  -2.949  11.507
   35    H4   A2G   7           H4       A2G   7 -19.288   0.519  13.085
   36    H5   A2G   7           H5       A2G   7 -20.842  -0.374  11.476
   37    H1   A2G   7           H1       A2G   7 -19.431  -3.060   9.786
   38    H3   A2G   7           H3       A2G   7 -19.516  -1.716  13.611
   39    HO4  A2G   7           HO4      A2G   7 -17.107  -0.048  11.247
   40   1H6   A2G   7          1H6       A2G   7 -19.531   2.056  11.086
   41   2H6   A2G   7          2H6       A2G   7 -19.381   1.291   9.508
   42    HN2  A2G   7           HN2      A2G   7 -20.133  -3.831  12.990
   43   1H8   A2G   7          1H8       A2G   7 -18.986  -6.248  14.086
   44   2H8   A2G   7          2H8       A2G   7 -20.406  -6.062  13.041
   45   3H8   A2G   7          3H8       A2G   7 -19.090  -7.151  12.564
   46    H2   A2G  10           H2       A2G  10 -22.178  -9.025   5.602
   47    H4   A2G  10           H4       A2G  10 -24.895  -6.171   4.580
   48    H5   A2G  10           H5       A2G  10 -25.226  -6.798   6.880
   49    H1   A2G  10           H1       A2G  10 -23.202  -9.433   7.777
   50    H3   A2G  10           H3       A2G  10 -22.868  -6.068   5.678
   51    HO4  A2G  10           HO4      A2G  10 -24.543  -8.971   3.909
   52   1H6   A2G  10          1H6       A2G  10 -27.179  -7.041   5.104
   53   2H6   A2G  10          2H6       A2G  10 -27.088  -8.744   5.538
   54    HN2  A2G  10           HN2      A2G  10 -21.411  -6.920   7.525
   55   1H8   A2G  10          1H8       A2G  10 -18.055  -7.548   6.729
   56   2H8   A2G  10          2H8       A2G  10 -19.212  -6.455   7.510
   57   3H8   A2G  10          3H8       A2G  10 -18.838  -8.025   8.248
   58    H2   A2G  13           H2       A2G  13 -22.665 -14.437  11.002
   59    H4   A2G  13           H4       A2G  13 -24.848 -12.254  13.704
   60    H5   A2G  13           H5       A2G  13 -22.674 -11.413  13.715
   61    H1   A2G  13           H1       A2G  13 -20.681 -13.098  11.455
   62    H3   A2G  13           H3       A2G  13 -24.569 -12.135  11.450
   63    HO4  A2G  13           HO4      A2G  13 -23.990 -15.024  13.662
   64   1H6   A2G  13          1H6       A2G  13 -22.245 -13.695  15.665
   65   2H6   A2G  13          2H6       A2G  13 -21.784 -12.016  15.814
   66    HN2  A2G  13           HN2      A2G  13 -22.826 -11.796   9.688
   67   1H8   A2G  13          1H8       A2G  13 -21.970 -12.679   7.041
   68   2H8   A2G  13          2H8       A2G  13 -23.543 -13.407   6.670
   69   3H8   A2G  13          3H8       A2G  13 -23.464 -11.871   7.551
  Start of MODEL   49
    1   1H    ACE   0          1H        ACE   0  28.499  21.771  -8.497
    2   2H    ACE   0          2H        ACE   0  28.132  20.718  -9.867
    3   3H    ACE   0          3H        ACE   0  26.908  21.838  -9.262
    4    H    SER   1           H        SER   1  27.875  24.133  -9.051
    5    HA   SER   1           HA       SER   1  29.635  24.940 -11.199
    6   1HB   SER   1          1HB       SER   1  27.964  26.356 -12.321
    7   2HB   SER   1          2HB       SER   1  27.475  24.659 -12.369
    8    H    THR   2           H        THR   2  30.447  26.996 -10.931
    9    HA   THR   2           HA       THR   2  29.811  28.260  -8.366
   10    HB   THR   2           HB       THR   2  31.915  29.624  -8.945
   11   1HG2  THR   2          1HG2      THR   2  31.890  27.689  -7.358
   12   2HG2  THR   2          2HG2      THR   2  32.381  26.666  -8.709
   13   3HG2  THR   2          3HG2      THR   2  33.429  27.978  -8.170
   14    H    THR   3           H        THR   3  30.645  30.842  -8.849
   15    HA   THR   3           HA       THR   3  28.462  31.876 -10.493
   16    HB   THR   3           HB       THR   3  29.108  34.024  -9.195
   17   1HG2  THR   3          1HG2      THR   3  28.185  31.704  -7.526
   18   2HG2  THR   3          2HG2      THR   3  27.866  33.418  -7.249
   19   3HG2  THR   3          3HG2      THR   3  27.143  32.599  -8.634
   20    H    ALA   4           H        ALA   4  28.836  33.390 -12.118
   21    HA   ALA   4           HA       ALA   4  31.507  33.358 -13.195
   22   1HB   ALA   4          1HB       ALA   4  29.351  33.050 -14.533
   23   2HB   ALA   4          2HB       ALA   4  29.132  34.792 -14.370
   24   3HB   ALA   4          3HB       ALA   4  30.550  34.154 -15.203
   25    H    VAL   5           H        VAL   5  30.868  36.046 -14.493
   26    HA   VAL   5           HA       VAL   5  32.146  37.652 -12.425
   27    HB   VAL   5           HB       VAL   5  32.475  39.339 -14.224
   28   1HG1  VAL   5          1HG1      VAL   5  34.176  38.116 -15.433
   29   2HG1  VAL   5          2HG1      VAL   5  34.167  37.623 -13.740
   30   3HG1  VAL   5          3HG1      VAL   5  33.444  36.582 -14.966
   31   1HG2  VAL   5          1HG2      VAL   5  31.274  37.231 -16.031
   32   2HG2  VAL   5          2HG2      VAL   5  30.512  38.761 -15.597
   33   3HG2  VAL   5          3HG2      VAL   5  31.998  38.752 -16.546
   34    H2   A2G   7           H2       A2G   7  23.611  27.395 -11.594
   35    H4   A2G   7           H4       A2G   7  23.279  23.729  -9.794
   36    H5   A2G   7           H5       A2G   7  25.445  23.867 -10.836
   37    H1   A2G   7           H1       A2G   7  25.696  26.807 -12.686
   38    H3   A2G   7           H3       A2G   7  24.149  25.734  -9.123
   39    HO4  A2G   7           HO4      A2G   7  22.139  24.846 -12.222
   40   1H6   A2G   7          1H6       A2G   7  25.250  22.222 -12.545
   41   2H6   A2G   7          2H6       A2G   7  23.856  21.938 -11.524
   42    HN2  A2G   7           HN2      A2G   7  25.629  27.518  -9.438
   43   1H8   A2G   7          1H8       A2G   7  26.721  29.573  -9.377
   44   2H8   A2G   7          2H8       A2G   7  25.931  30.992 -10.083
   45   3H8   A2G   7          3H8       A2G   7  25.226  30.200  -8.668
   46    H2   A2G  10           H2       A2G  10  33.530  30.418 -12.902
   47    H4   A2G  10           H4       A2G  10  35.295  26.779 -12.325
   48    H5   A2G  10           H5       A2G  10  34.179  27.388 -10.336
   49    H1   A2G  10           H1       A2G  10  32.661  30.449 -10.613
   50    H3   A2G  10           H3       A2G  10  33.217  27.402 -13.096
   51    HO4  A2G  10           HO4      A2G  10  36.311  29.475 -12.683
   52   1H6   A2G  10          1H6       A2G  10  36.860  27.182 -10.287
   53   2H6   A2G  10          2H6       A2G  10  36.739  28.849  -9.745
   54    HN2  A2G  10           HN2      A2G  10  31.152  28.678 -12.647
   55   1H8   A2G  10          1H8       A2G  10  29.668  30.412 -15.245
   56   2H8   A2G  10          2H8       A2G  10  29.560  29.079 -14.082
   57   3H8   A2G  10          3H8       A2G  10  29.176  30.733 -13.572
   58    H2   A2G  13           H2       A2G  13  32.793  34.990  -7.092
   59    H4   A2G  13           H4       A2G  13  31.317  32.513  -4.180
   60    H5   A2G  13           H5       A2G  13  29.653  32.712  -5.872
   61    H1   A2G  13           H1       A2G  13  30.716  34.921  -8.349
   62    H3   A2G  13           H3       A2G  13  32.541  32.159  -6.082
   63    HO4  A2G  13           HO4      A2G  13  31.731  35.389  -4.294
   64   1H6   A2G  13          1H6       A2G  13  27.940  33.789  -4.711
   65   2H6   A2G  13          2H6       A2G  13  29.131  33.621  -3.429
   66    HN2  A2G  13           HN2      A2G  13  32.765  32.320  -8.352
   67   1H8   A2G  13          1H8       A2G  13  34.014  33.268 -11.078
   68   2H8   A2G  13          2H8       A2G  13  35.509  33.172 -10.132
   69   3H8   A2G  13          3H8       A2G  13  34.217  31.988  -9.869
  Start of MODEL   50
    1   1H    ACE   0          1H        ACE   0 -35.772 -13.128 -34.659
    2   2H    ACE   0          2H        ACE   0 -34.251 -12.230 -34.622
    3   3H    ACE   0          3H        ACE   0 -35.057 -12.665 -33.112
    4    H    SER   1           H        SER   1 -34.046 -14.239 -36.090
    5    HA   SER   1           HA       SER   1 -33.359 -16.693 -34.737
    6   1HB   SER   1          1HB       SER   1 -32.840 -17.543 -36.954
    7   2HB   SER   1          2HB       SER   1 -34.366 -16.660 -37.014
    8    H    THR   2           H        THR   2 -31.191 -17.745 -35.447
    9    HA   THR   2           HA       THR   2 -29.083 -15.886 -34.660
   10    HB   THR   2           HB       THR   2 -27.772 -18.083 -34.390
   11   1HG2  THR   2          1HG2      THR   2 -29.212 -16.759 -32.597
   12   2HG2  THR   2          2HG2      THR   2 -30.126 -18.268 -32.625
   13   3HG2  THR   2          3HG2      THR   2 -28.404 -18.285 -32.241
   14    H    THR   3           H        THR   3 -26.870 -17.326 -35.666
   15    HA   THR   3           HA       THR   3 -26.981 -16.563 -38.484
   16    HB   THR   3           HB       THR   3 -24.427 -16.826 -38.193
   17   1HG2  THR   3          1HG2      THR   3 -24.159 -14.650 -37.551
   18   2HG2  THR   3          2HG2      THR   3 -25.871 -14.633 -37.978
   19   3HG2  THR   3          3HG2      THR   3 -25.384 -14.757 -36.286
   20    H    ALA   4           H        ALA   4 -26.008 -17.969 -40.077
   21    HA   ALA   4           HA       ALA   4 -26.524 -20.734 -39.483
   22   1HB   ALA   4          1HB       ALA   4 -25.547 -19.659 -42.118
   23   2HB   ALA   4          2HB       ALA   4 -26.528 -21.092 -41.810
   24   3HB   ALA   4          3HB       ALA   4 -27.226 -19.484 -41.612
   25    H    VAL   5           H        VAL   5 -24.500 -21.456 -41.639
   26    HA   VAL   5           HA       VAL   5 -21.970 -21.066 -40.260
   27    HB   VAL   5           HB       VAL   5 -21.552 -23.615 -40.460
   28   1HG1  VAL   5          1HG1      VAL   5 -21.767 -22.267 -38.355
   29   2HG1  VAL   5          2HG1      VAL   5 -23.468 -22.734 -38.312
   30   3HG1  VAL   5          3HG1      VAL   5 -22.211 -23.967 -38.207
   31   1HG2  VAL   5          1HG2      VAL   5 -24.573 -23.616 -40.306
   32   2HG2  VAL   5          2HG2      VAL   5 -23.621 -24.125 -41.701
   33   3HG2  VAL   5          3HG2      VAL   5 -23.523 -25.027 -40.188
   34    H2   A2G   7           H2       A2G   7 -32.088 -15.725 -41.100
   35    H4   A2G   7           H4       A2G   7 -35.192 -13.189 -40.179
   36    H5   A2G   7           H5       A2G   7 -34.739 -14.649 -38.283
   37    H1   A2G   7           H1       A2G   7 -32.556 -17.188 -39.275
   38    H3   A2G   7           H3       A2G   7 -32.922 -13.155 -39.780
   39    HO4  A2G   7           HO4      A2G   7 -34.984 -15.546 -41.878
   40   1H6   A2G   7          1H6       A2G   7 -36.920 -15.254 -38.082
   41   2H6   A2G   7          2H6       A2G   7 -37.151 -14.685 -39.726
   42    HN2  A2G   7           HN2      A2G   7 -31.054 -14.480 -38.636
   43   1H8   A2G   7          1H8       A2G   7 -27.929 -15.004 -39.717
   44   2H8   A2G   7          2H8       A2G   7 -28.419 -13.326 -40.012
   45   3H8   A2G   7          3H8       A2G   7 -28.964 -14.164 -38.548
   46    H2   A2G  10           H2       A2G  10 -28.338 -21.918 -36.254
   47    H4   A2G  10           H4       A2G  10 -31.394 -22.433 -33.641
   48    H5   A2G  10           H5       A2G  10 -30.309 -20.369 -33.093
   49    H1   A2G  10           H1       A2G  10 -27.564 -19.870 -35.158
   50    H3   A2G  10           H3       A2G  10 -31.215 -21.246 -35.617
   51    HO4  A2G  10           HO4      A2G  10 -28.790 -23.669 -33.956
   52   1H6   A2G  10          1H6       A2G  10 -28.470 -21.907 -31.397
   53   2H6   A2G  10          2H6       A2G  10 -29.854 -20.927 -30.945
   54    HN2  A2G  10           HN2      A2G  10 -30.072 -19.655 -37.023
   55   1H8   A2G  10          1H8       A2G  10 -29.200 -20.322 -40.398
   56   2H8   A2G  10          2H8       A2G  10 -30.482 -19.691 -39.348
   57   3H8   A2G  10          3H8       A2G  10 -28.896 -18.899 -39.382
   58    H2   A2G  13           H2       A2G  13 -22.298 -19.242 -35.308
   59    H4   A2G  13           H4       A2G  13 -22.942 -16.135 -32.742
   60    H5   A2G  13           H5       A2G  13 -23.794 -15.525 -34.885
   61    H1   A2G  13           H1       A2G  13 -23.149 -17.993 -37.216
   62    H3   A2G  13           H3       A2G  13 -24.210 -17.939 -33.365
   63    HO4  A2G  13           HO4      A2G  13 -20.564 -17.221 -33.989
   64   1H6   A2G  13          1H6       A2G  13 -21.062 -14.540 -35.473
   65   2H6   A2G  13          2H6       A2G  13 -22.550 -13.650 -35.214
   66    HN2  A2G  13           HN2      A2G  13 -25.245 -19.203 -35.317
   67   1H8   A2G  13          1H8       A2G  13 -25.121 -22.771 -35.121
   68   2H8   A2G  13          2H8       A2G  13 -26.063 -21.401 -34.510
   69   3H8   A2G  13          3H8       A2G  13 -25.815 -21.598 -36.254
  Start of MODEL   51
    1   1H    ACE   0          1H        ACE   0  30.174  23.039 -20.070
    2   2H    ACE   0          2H        ACE   0  29.554  24.100 -18.802
    3   3H    ACE   0          3H        ACE   0  28.434  23.167 -19.799
    4    H    SER   1           H        SER   1  31.429  22.416 -18.126
    5    HA   SER   1           HA       SER   1  30.383  19.921 -17.111
    6   1HB   SER   1          1HB       SER   1  32.599  19.470 -16.351
    7   2HB   SER   1          2HB       SER   1  32.783  20.293 -17.898
    8    H    THR   2           H        THR   2  30.166  19.356 -14.930
    9    HA   THR   2           HA       THR   2  29.583  21.644 -13.195
   10    HB   THR   2           HB       THR   2  28.484  19.816 -11.755
   11   1HG2  THR   2          1HG2      THR   2  26.470  19.844 -12.933
   12   2HG2  THR   2          2HG2      THR   2  27.267  21.368 -13.320
   13   3HG2  THR   2          3HG2      THR   2  27.284  20.044 -14.485
   14    H    THR   3           H        THR   3  29.788  20.277 -10.703
   15    HA   THR   3           HA       THR   3  32.696  20.248 -10.391
   16    HB   THR   3           HB       THR   3  31.948  20.500  -7.909
   17   1HG2  THR   3          1HG2      THR   3  31.205  22.746  -9.764
   18   2HG2  THR   3          2HG2      THR   3  31.698  22.866  -8.075
   19   3HG2  THR   3          3HG2      THR   3  32.864  22.362  -9.301
   20    H    ALA   4           H        ALA   4  33.481  18.836  -8.569
   21    HA   ALA   4           HA       ALA   4  31.944  16.461  -8.037
   22   1HB   ALA   4          1HB       ALA   4  33.913  16.492 -10.143
   23   2HB   ALA   4          2HB       ALA   4  34.388  15.367  -8.873
   24   3HB   ALA   4          3HB       ALA   4  32.820  15.200  -9.657
   25    H    VAL   5           H        VAL   5  32.254  16.077  -5.939
   26    HA   VAL   5           HA       VAL   5  34.944  16.141  -4.819
   27    HB   VAL   5           HB       VAL   5  32.692  17.706  -3.529
   28   1HG1  VAL   5          1HG1      VAL   5  34.133  16.827  -1.852
   29   2HG1  VAL   5          2HG1      VAL   5  35.574  17.280  -2.764
   30   3HG1  VAL   5          3HG1      VAL   5  34.547  18.528  -2.055
   31   1HG2  VAL   5          1HG2      VAL   5  33.430  18.933  -5.457
   32   2HG2  VAL   5          2HG2      VAL   5  34.133  19.696  -4.030
   33   3HG2  VAL   5          3HG2      VAL   5  35.122  18.654  -5.052
   34    H2   A2G   7           H2       A2G   7  36.345  22.185 -15.486
   35    H4   A2G   7           H4       A2G   7  34.500  24.747 -18.125
   36    H5   A2G   7           H5       A2G   7  33.302  22.700 -18.061
   37    H1   A2G   7           H1       A2G   7  34.969  20.329 -16.164
   38    H3   A2G   7           H3       A2G   7  34.251  24.312 -15.895
   39    HO4  A2G   7           HO4      A2G   7  37.062  23.379 -18.123
   40   1H6   A2G   7          1H6       A2G   7  35.341  22.346 -20.301
   41   2H6   A2G   7          2H6       A2G   7  33.686  21.777 -20.274
   42    HN2  A2G   7           HN2      A2G   7  33.675  22.445 -14.271
   43   1H8   A2G   7          1H8       A2G   7  35.024  23.324 -11.308
   44   2H8   A2G   7          2H8       A2G   7  33.596  22.718 -12.167
   45   3H8   A2G   7          3H8       A2G   7  34.739  21.579 -11.431
   46    H2   A2G  10           H2       A2G  10  29.229  15.595 -11.570
   47    H4   A2G  10           H4       A2G  10  26.994  15.435 -14.961
   48    H5   A2G  10           H5       A2G  10  26.851  17.654 -14.152
   49    H1   A2G  10           H1       A2G  10  28.728  17.958 -11.223
   50    H3   A2G  10           H3       A2G  10  29.207  15.887 -14.580
   51    HO4  A2G  10           HO4      A2G  10  26.586  14.425 -12.262
   52   1H6   A2G  10          1H6       A2G  10  24.601  17.790 -13.624
   53   2H6   A2G  10          2H6       A2G  10  24.634  16.090 -14.058
   54    HN2  A2G  10           HN2      A2G  10  30.842  17.326 -13.339
   55   1H8   A2G  10          1H8       A2G  10  33.033  16.745 -13.395
   56   2H8   A2G  10          2H8       A2G  10  33.218  17.385 -11.749
   57   3H8   A2G  10          3H8       A2G  10  33.722  15.724 -12.119
   58    H2   A2G  13           H2       A2G  13  28.098  19.615  -6.147
   59    H4   A2G  13           H4       A2G  13  26.893  23.114  -7.898
   60    H5   A2G  13           H5       A2G  13  29.224  22.868  -8.253
   61    H1   A2G  13           H1       A2G  13  30.430  20.027  -6.701
   62    H3   A2G  13           H3       A2G  13  27.082  20.968  -8.659
   63    HO4  A2G  13           HO4      A2G  13  27.144  22.241  -5.145
   64   1H6   A2G  13          1H6       A2G  13  28.324  24.925  -6.754
   65   2H6   A2G  13          2H6       A2G  13  29.425  24.218  -5.577
   66    HN2  A2G  13           HN2      A2G  13  28.641  18.993  -8.981
   67   1H8   A2G  13          1H8       A2G  13  28.822  16.585  -9.155
   68   2H8   A2G  13          2H8       A2G  13  27.606  15.656  -8.258
   69   3H8   A2G  13          3H8       A2G  13  27.096  16.841  -9.475
  Start of MODEL   52
    1   1H    ACE   0          1H        ACE   0   3.009  -5.281  10.434
    2   2H    ACE   0          2H        ACE   0   3.832  -4.328   9.194
    3   3H    ACE   0          3H        ACE   0   4.717  -5.568  10.088
    4    H    SER   1           H        SER   1   5.088  -5.896   7.662
    5    HA   SER   1           HA       SER   1   3.642  -8.288   6.919
    6   1HB   SER   1          1HB       SER   1   3.069  -7.428   4.648
    7   2HB   SER   1          2HB       SER   1   2.206  -6.575   5.931
    8    H    THR   2           H        THR   2   4.506  -8.569   4.301
    9    HA   THR   2           HA       THR   2   7.388  -8.833   4.703
   10    HB   THR   2           HB       THR   2   7.108 -10.215   2.491
   11   1HG2  THR   2          1HG2      THR   2   7.262 -10.993   5.035
   12   2HG2  THR   2          2HG2      THR   2   5.644 -11.579   4.647
   13   3HG2  THR   2          3HG2      THR   2   7.027 -12.110   3.690
   14    H    THR   3           H        THR   3   8.199  -8.955   2.013
   15    HA   THR   3           HA       THR   3   8.180  -6.123   1.317
   16    HB   THR   3           HB       THR   3  10.139  -7.015  -0.185
   17   1HG2  THR   3          1HG2      THR   3  10.372  -5.724   1.983
   18   2HG2  THR   3          2HG2      THR   3  10.550  -7.296   2.767
   19   3HG2  THR   3          3HG2      THR   3  11.715  -6.784   1.545
   20    H    ALA   4           H        ALA   4   7.672  -5.418  -0.769
   21    HA   ALA   4           HA       ALA   4   5.941  -7.195  -2.232
   22   1HB   ALA   4          1HB       ALA   4   5.163  -5.273  -3.370
   23   2HB   ALA   4          2HB       ALA   4   5.450  -4.744  -1.712
   24   3HB   ALA   4          3HB       ALA   4   6.616  -4.355  -2.977
   25    H    VAL   5           H        VAL   5   6.667  -5.574  -4.731
   26    HA   VAL   5           HA       VAL   5   8.695  -7.445  -5.668
   27    HB   VAL   5           HB       VAL   5   8.170  -6.577  -7.934
   28   1HG1  VAL   5          1HG1      VAL   5   5.979  -7.591  -8.121
   29   2HG1  VAL   5          2HG1      VAL   5   6.983  -8.514  -7.003
   30   3HG1  VAL   5          3HG1      VAL   5   5.731  -7.437  -6.383
   31   1HG2  VAL   5          1HG2      VAL   5   7.500  -4.301  -7.319
   32   2HG2  VAL   5          2HG2      VAL   5   6.235  -5.101  -8.250
   33   3HG2  VAL   5          3HG2      VAL   5   6.072  -4.934  -6.502
   34    H2   A2G   7           H2       A2G   7   3.356  -3.187   2.771
   35    H4   A2G   7           H4       A2G   7   2.195  -1.955   6.506
   36    H5   A2G   7           H5       A2G   7   2.391  -4.374   6.498
   37    H1   A2G   7           H1       A2G   7   2.841  -5.486   3.209
   38    H3   A2G   7           H3       A2G   7   4.239  -2.513   5.580
   39    HO4  A2G   7           HO4      A2G   7   0.848  -2.151   3.929
   40   1H6   A2G   7          1H6       A2G   7  -0.095  -3.016   6.757
   41   2H6   A2G   7          2H6       A2G   7  -0.447  -4.448   5.796
   42    HN2  A2G   7           HN2      A2G   7   5.528  -4.361   4.376
   43   1H8   A2G   7          1H8       A2G   7   7.472  -4.266   3.567
   44   2H8   A2G   7          2H8       A2G   7   7.508  -4.333   1.796
   45   3H8   A2G   7          3H8       A2G   7   7.856  -2.810   2.632
   46    H2   A2G  10           H2       A2G  10   3.861  -9.946  -0.303
   47    H4   A2G  10           H4       A2G  10   1.882 -12.386   2.323
   48    H5   A2G  10           H5       A2G  10   4.112 -12.164   3.056
   49    H1   A2G  10           H1       A2G  10   5.961 -10.206   0.901
   50    H3   A2G  10           H3       A2G  10   2.211 -10.119   2.250
   51    HO4  A2G  10           HO4      A2G  10   2.614 -12.580  -0.479
   52   1H6   A2G  10          1H6       A2G  10   3.997 -14.571   1.161
   53   2H6   A2G  10          2H6       A2G  10   5.195 -14.338   2.404
   54    HN2  A2G  10           HN2      A2G  10   3.739  -8.273   2.133
   55   1H8   A2G  10          1H8       A2G  10   4.564  -5.513   0.162
   56   2H8   A2G  10          2H8       A2G  10   2.933  -5.779   0.803
   57   3H8   A2G  10          3H8       A2G  10   4.350  -6.164   1.796
   58    H2   A2G  13           H2       A2G  13  11.611 -11.025  -1.021
   59    H4   A2G  13           H4       A2G  13  11.707 -11.675   3.024
   60    H5   A2G  13           H5       A2G  13  11.219  -9.366   2.634
   61    H1   A2G  13           H1       A2G  13  11.364  -8.613  -0.741
   62    H3   A2G  13           H3       A2G  13  10.011 -11.598   1.487
   63    HO4  A2G  13           HO4      A2G  13  13.740 -11.573   0.945
   64   1H6   A2G  13          1H6       A2G  13  13.701 -10.197   3.700
   65   2H6   A2G  13          2H6       A2G  13  14.088  -8.815   2.680
   66    HN2  A2G  13           HN2      A2G  13   8.818 -10.667  -0.154
   67   1H8   A2G  13          1H8       A2G  13   7.326 -10.612  -1.689
   68   2H8   A2G  13          2H8       A2G  13   7.788 -10.313  -3.372
   69   3H8   A2G  13          3H8       A2G  13   7.673 -11.974  -2.768
  Start of MODEL   53
    1   1H    ACE   0          1H        ACE   0  14.475  18.500  -7.824
    2   2H    ACE   0          2H        ACE   0  15.290  19.973  -7.289
    3   3H    ACE   0          3H        ACE   0  14.534  19.911  -8.884
    4    H    SER   1           H        SER   1  13.666  19.152  -5.560
    5    HA   SER   1           HA       SER   1  10.949  20.059  -5.909
    6   1HB   SER   1          1HB       SER   1  10.600  19.311  -3.629
    7   2HB   SER   1          2HB       SER   1  11.545  18.092  -4.486
    8    H    THR   2           H        THR   2  10.059  21.417  -3.952
    9    HA   THR   2           HA       THR   2  11.582  23.912  -3.965
   10    HB   THR   2           HB       THR   2   9.375  24.804  -2.969
   11   1HG2  THR   2          1HG2      THR   2   8.825  23.642  -5.645
   12   2HG2  THR   2          2HG2      THR   2   8.508  25.263  -5.025
   13   3HG2  THR   2          3HG2      THR   2  10.148  24.797  -5.476
   14    H    THR   3           H        THR   3  10.592  25.164  -1.713
   15    HA   THR   3           HA       THR   3  11.967  23.693   0.412
   16    HB   THR   3           HB       THR   3  11.978  26.033   1.463
   17   1HG2  THR   3          1HG2      THR   3  13.306  26.121  -1.205
   18   2HG2  THR   3          2HG2      THR   3  13.887  26.709   0.354
   19   3HG2  THR   3          3HG2      THR   3  13.858  24.977   0.020
   20    H    ALA   4           H        ALA   4  11.108  24.378   2.666
   21    HA   ALA   4           HA       ALA   4   8.268  24.787   2.818
   22   1HB   ALA   4          1HB       ALA   4   8.891  22.241   2.470
   23   2HB   ALA   4          2HB       ALA   4   9.225  22.317   4.197
   24   3HB   ALA   4          3HB       ALA   4   7.618  22.716   3.589
   25    H    VAL   5           H        VAL   5   8.360  23.488   5.559
   26    HA   VAL   5           HA       VAL   5   9.461  25.795   6.954
   27    HB   VAL   5           HB       VAL   5   7.835  23.489   8.060
   28   1HG1  VAL   5          1HG1      VAL   5   9.055  24.499   9.833
   29   2HG1  VAL   5          2HG1      VAL   5   8.681  26.122   9.252
   30   3HG1  VAL   5          3HG1      VAL   5   7.404  25.110   9.929
   31   1HG2  VAL   5          1HG2      VAL   5   6.976  26.259   7.206
   32   2HG2  VAL   5          2HG2      VAL   5   6.544  24.740   6.422
   33   3HG2  VAL   5          3HG2      VAL   5   5.954  25.094   8.045
   34    H2   A2G   7           H2       A2G   7  13.389  18.125  -0.114
   35    H4   A2G   7           H4       A2G   7  15.716  16.426  -3.084
   36    H5   A2G   7           H5       A2G   7  13.807  17.578  -4.038
   37    H1   A2G   7           H1       A2G   7  11.525  18.391  -1.570
   38    H3   A2G   7           H3       A2G   7  15.601  18.512  -2.103
   39    HO4  A2G   7           HO4      A2G   7  14.004  15.338  -0.997
   40   1H6   A2G   7          1H6       A2G   7  14.225  15.381  -5.034
   41   2H6   A2G   7          2H6       A2G   7  13.301  14.572  -3.781
   42    HN2  A2G   7           HN2      A2G   7  13.928  20.444  -1.850
   43   1H8   A2G   7          1H8       A2G   7  13.558  22.470   0.746
   44   2H8   A2G   7          2H8       A2G   7  15.290  22.182   0.506
   45   3H8   A2G   7          3H8       A2G   7  14.210  22.302  -0.894
   46    H2   A2G  10           H2       A2G  10   6.266  22.733  -0.855
   47    H4   A2G  10           H4       A2G  10   5.214  21.311  -4.540
   48    H5   A2G  10           H5       A2G  10   6.884  22.932  -4.851
   49    H1   A2G  10           H1       A2G  10   7.868  24.296  -1.828
   50    H3   A2G  10           H3       A2G  10   6.763  20.638  -2.989
   51    HO4  A2G  10           HO4      A2G  10   3.855  22.939  -2.556
   52   1H6   A2G  10          1H6       A2G  10   4.581  24.854  -4.801
   53   2H6   A2G  10          2H6       A2G  10   5.720  24.493  -6.088
   54    HN2  A2G  10           HN2      A2G  10   8.713  21.291  -1.680
   55   1H8   A2G  10          1H8       A2G  10   9.035  20.074   1.505
   56   2H8   A2G  10          2H8       A2G  10   9.722  20.199  -0.125
   57   3H8   A2G  10          3H8       A2G  10  10.048  21.466   1.075
   58    H2   A2G  13           H2       A2G  13   9.372  29.407   0.756
   59    H4   A2G  13           H4       A2G  13  11.654  29.975  -2.637
   60    H5   A2G  13           H5       A2G  13  12.536  28.130  -1.415
   61    H1   A2G  13           H1       A2G  13  10.874  27.717   1.583
   62    H3   A2G  13           H3       A2G  13   9.755  28.786  -2.170
   63    HO4  A2G  13           HO4      A2G  13  11.360  31.497  -0.176
   64   1H6   A2G  13          1H6       A2G  13  13.989  30.465  -1.690
   65   2H6   A2G  13          2H6       A2G  13  14.182  30.139   0.031
   66    HN2  A2G  13           HN2      A2G  13   8.806  27.088  -0.973
   67   1H8   A2G  13          1H8       A2G  13   5.737  26.898   0.264
   68   2H8   A2G  13          2H8       A2G  13   7.013  26.044  -0.621
   69   3H8   A2G  13          3H8       A2G  13   6.761  25.720   1.104
  Start of MODEL   54
    1   1H    ACE   0          1H        ACE   0  46.123  -3.072 -30.917
    2   2H    ACE   0          2H        ACE   0  45.269  -3.256 -29.382
    3   3H    ACE   0          3H        ACE   0  46.283  -4.567 -29.991
    4    H    SER   1           H        SER   1  46.764  -1.097 -29.790
    5    HA   SER   1           HA       SER   1  49.425  -1.413 -28.721
    6   1HB   SER   1          1HB       SER   1  49.628   0.980 -28.963
    7   2HB   SER   1          2HB       SER   1  48.816   0.355 -30.399
    8    H    THR   2           H        THR   2  50.055   0.172 -26.900
    9    HA   THR   2           HA       THR   2  48.319  -0.423 -24.624
   10    HB   THR   2           HB       THR   2  50.474   0.373 -23.373
   11   1HG2  THR   2          1HG2      THR   2  51.658  -1.847 -24.137
   12   2HG2  THR   2          2HG2      THR   2  50.220  -1.867 -23.116
   13   3HG2  THR   2          3HG2      THR   2  50.076  -2.161 -24.849
   14    H    THR   3           H        THR   3  49.396   1.616 -22.896
   15    HA   THR   3           HA       THR   3  47.843   3.897 -23.831
   16    HB   THR   3           HB       THR   3  48.203   4.509 -21.321
   17   1HG2  THR   3          1HG2      THR   3  46.061   3.702 -22.327
   18   2HG2  THR   3          2HG2      THR   3  46.568   2.061 -21.919
   19   3HG2  THR   3          3HG2      THR   3  46.303   3.247 -20.639
   20    H    ALA   4           H        ALA   4  48.693   5.877 -24.062
   21    HA   ALA   4           HA       ALA   4  51.568   6.097 -24.032
   22   1HB   ALA   4          1HB       ALA   4  50.280   6.908 -25.984
   23   2HB   ALA   4          2HB       ALA   4  49.563   8.146 -24.955
   24   3HB   ALA   4          3HB       ALA   4  51.300   8.143 -25.253
   25    H    VAL   5           H        VAL   5  52.233   6.324 -22.026
   26    HA   VAL   5           HA       VAL   5  51.045   8.330 -20.266
   27    HB   VAL   5           HB       VAL   5  53.269   6.354 -19.694
   28   1HG1  VAL   5          1HG1      VAL   5  52.650   6.889 -17.299
   29   2HG1  VAL   5          2HG1      VAL   5  53.512   8.154 -18.178
   30   3HG1  VAL   5          3HG1      VAL   5  51.768   8.279 -17.933
   31   1HG2  VAL   5          1HG2      VAL   5  50.341   6.287 -18.952
   32   2HG2  VAL   5          2HG2      VAL   5  51.120   5.274 -20.169
   33   3HG2  VAL   5          3HG2      VAL   5  51.557   5.108 -18.466
   34    H2   A2G   7           H2       A2G   7  46.630   4.492 -29.492
   35    H4   A2G   7           H4       A2G   7  44.841   1.938 -32.212
   36    H5   A2G   7           H5       A2G   7  46.674   0.828 -31.049
   37    H1   A2G   7           H1       A2G   7  48.597   3.156 -29.356
   38    H3   A2G   7           H3       A2G   7  44.634   2.292 -29.934
   39    HO4  A2G   7           HO4      A2G   7  46.537   4.296 -32.469
   40   1H6   A2G   7          1H6       A2G   7  46.824   0.149 -33.276
   41   2H6   A2G   7          2H6       A2G   7  47.168   1.748 -33.892
   42    HN2  A2G   7           HN2      A2G   7  46.003   2.168 -27.794
   43   1H8   A2G   7          1H8       A2G   7  45.956   4.071 -25.130
   44   2H8   A2G   7          2H8       A2G   7  44.268   3.944 -25.664
   45   3H8   A2G   7          3H8       A2G   7  45.357   2.554 -25.830
   46    H2   A2G  10           H2       A2G  10  53.721   2.751 -24.828
   47    H4   A2G  10           H4       A2G  10  54.971  -0.620 -26.795
   48    H5   A2G  10           H5       A2G  10  53.065  -1.160 -25.468
   49    H1   A2G  10           H1       A2G  10  52.041   1.522 -23.564
   50    H3   A2G  10           H3       A2G  10  53.376   0.988 -27.271
   51    HO4  A2G  10           HO4      A2G  10  56.065   1.044 -24.676
   52   1H6   A2G  10          1H6       A2G  10  55.496  -1.666 -23.687
   53   2H6   A2G  10          2H6       A2G  10  54.007  -2.575 -23.707
   54    HN2  A2G  10           HN2      A2G  10  51.409   2.193 -26.583
   55   1H8   A2G  10          1H8       A2G  10  50.581   3.930 -27.591
   56   2H8   A2G  10          2H8       A2G  10  50.035   4.808 -26.151
   57   3H8   A2G  10          3H8       A2G  10  51.180   5.568 -27.272
   58    H2   A2G  13           H2       A2G  13  50.904   2.613 -18.374
   59    H4   A2G  13           H4       A2G  13  48.107  -0.418 -18.526
   60    H5   A2G  13           H5       A2G  13  47.373   1.360 -19.923
   61    H1   A2G  13           H1       A2G  13  49.509   4.067 -19.727
   62    H3   A2G  13           H3       A2G  13  50.005   0.050 -19.705
   63    HO4  A2G  13           HO4      A2G  13  48.883   1.476 -16.459
   64   1H6   A2G  13          1H6       A2G  13  46.018   0.742 -17.583
   65   2H6   A2G  13          2H6       A2G  13  46.085   2.500 -17.509
   66    HN2  A2G  13           HN2      A2G  13  51.128   1.511 -21.108
   67   1H8   A2G  13          1H8       A2G  13  53.094   3.274 -22.240
   68   2H8   A2G  13          2H8       A2G  13  54.427   2.775 -21.184
   69   3H8   A2G  13          3H8       A2G  13  53.306   1.563 -21.828
  Start of MODEL   55
    1   1H    ACE   0          1H        ACE   0  20.964 -10.723  26.016
    2   2H    ACE   0          2H        ACE   0  22.064 -11.210  24.723
    3   3H    ACE   0          3H        ACE   0  22.505 -11.489  26.410
    4    H    SER   1           H        SER   1  19.966 -12.169  24.078
    5    HA   SER   1           HA       SER   1  20.042 -15.007  24.629
    6   1HB   SER   1          1HB       SER   1  17.437 -14.892  25.026
    7   2HB   SER   1          2HB       SER   1  18.546 -14.632  26.376
    8    H    THR   2           H        THR   2  18.400 -16.194  23.271
    9    HA   THR   2           HA       THR   2  18.269 -14.924  20.640
   10    HB   THR   2           HB       THR   2  17.605 -17.330  19.968
   11   1HG2  THR   2          1HG2      THR   2  19.702 -17.605  19.343
   12   2HG2  THR   2          2HG2      THR   2  20.108 -16.162  20.274
   13   3HG2  THR   2          3HG2      THR   2  20.247 -17.759  21.015
   14    H    THR   3           H        THR   3  16.233 -16.338  19.451
   15    HA   THR   3           HA       THR   3  13.870 -15.171  20.717
   16    HB   THR   3           HB       THR   3  12.930 -15.626  18.359
   17   1HG2  THR   3          1HG2      THR   3  14.061 -13.423  19.241
   18   2HG2  THR   3          2HG2      THR   3  15.321 -13.889  18.095
   19   3HG2  THR   3          3HG2      THR   3  13.668 -13.627  17.532
   20    H    ALA   4           H        ALA   4  11.987 -16.417  20.997
   21    HA   ALA   4           HA       ALA   4  12.489 -19.224  21.375
   22   1HB   ALA   4          1HB       ALA   4   9.855 -17.877  21.897
   23   2HB   ALA   4          2HB       ALA   4  10.587 -19.247  22.733
   24   3HB   ALA   4          3HB       ALA   4  11.226 -17.621  22.974
   25    H    VAL   5           H        VAL   5   9.509 -19.696  20.961
   26    HA   VAL   5           HA       VAL   5   9.728 -20.416  18.146
   27    HB   VAL   5           HB       VAL   5   7.542 -21.137  20.117
   28   1HG1  VAL   5          1HG1      VAL   5   7.122 -22.985  18.476
   29   2HG1  VAL   5          2HG1      VAL   5   6.733 -21.367  17.889
   30   3HG1  VAL   5          3HG1      VAL   5   8.218 -22.164  17.366
   31   1HG2  VAL   5          1HG2      VAL   5   9.666 -22.031  20.882
   32   2HG2  VAL   5          2HG2      VAL   5   8.671 -23.338  20.241
   33   3HG2  VAL   5          3HG2      VAL   5   9.999 -22.688  19.281
   34    H2   A2G   7           H2       A2G   7  14.521 -11.913  25.548
   35    H4   A2G   7           H4       A2G   7  17.056  -9.561  27.746
   36    H5   A2G   7           H5       A2G   7  18.096 -11.707  27.427
   37    H1   A2G   7           H1       A2G   7  15.860 -13.895  25.882
   38    H3   A2G   7           H3       A2G   7  16.853  -9.992  25.498
   39    HO4  A2G   7           HO4      A2G   7  14.579 -10.945  28.389
   40   1H6   A2G   7          1H6       A2G   7  18.317 -12.302  29.656
   41   2H6   A2G   7          2H6       A2G   7  17.453 -10.791  29.890
   42    HN2  A2G   7           HN2      A2G   7  16.807 -11.469  23.738
   43   1H8   A2G   7          1H8       A2G   7  14.853 -12.809  21.111
   44   2H8   A2G   7          2H8       A2G   7  15.359 -11.126  21.346
   45   3H8   A2G   7          3H8       A2G   7  16.499 -12.447  21.662
   46    H2   A2G  10           H2       A2G  10  16.056 -20.616  22.184
   47    H4   A2G  10           H4       A2G  10  19.711 -20.988  23.960
   48    H5   A2G  10           H5       A2G  10  19.829 -19.238  22.318
   49    H1   A2G  10           H1       A2G  10  16.863 -19.035  20.528
   50    H3   A2G  10           H3       A2G  10  17.928 -19.565  24.333
   51    HO4  A2G  10           HO4      A2G  10  18.192 -22.593  22.059
   52   1H6   A2G  10          1H6       A2G  10  21.092 -21.795  21.881
   53   2H6   A2G  10          2H6       A2G  10  20.674 -21.117  20.311
   54    HN2  A2G  10           HN2      A2G  10  16.309 -17.929  23.384
   55   1H8   A2G  10          1H8       A2G  10  14.409 -17.451  24.716
   56   2H8   A2G  10          2H8       A2G  10  13.731 -17.041  23.130
   57   3H8   A2G  10          3H8       A2G  10  12.860 -18.148  24.207
   58    H2   A2G  13           H2       A2G  13  14.235 -18.198  15.164
   59    H4   A2G  13           H4       A2G  13  17.586 -15.800  14.906
   60    H5   A2G  13           H5       A2G  13  16.084 -14.870  16.515
   61    H1   A2G  13           H1       A2G  13  13.115 -16.632  16.608
   62    H3   A2G  13           H3       A2G  13  17.014 -17.618  16.186
   63    HO4  A2G  13           HO4      A2G  13  15.355 -16.302  13.107
   64   1H6   A2G  13          1H6       A2G  13  16.630 -13.548  14.152
   65   2H6   A2G  13          2H6       A2G  13  14.874 -13.410  14.233
   66    HN2  A2G  13           HN2      A2G  13  15.622 -18.526  17.745
   67   1H8   A2G  13          1H8       A2G  13  13.451 -20.431  19.025
   68   2H8   A2G  13          2H8       A2G  13  14.288 -21.624  18.019
   69   3H8   A2G  13          3H8       A2G  13  15.207 -20.330  18.806
  Start of MODEL   56
    1   1H    ACE   0          1H        ACE   0  26.969  22.410  -0.205
    2   2H    ACE   0          2H        ACE   0  27.953  21.314  -1.179
    3   3H    ACE   0          3H        ACE   0  28.472  22.984  -0.933
    4    H    SER   1           H        SER   1  29.390  23.606   0.925
    5    HA   SER   1           HA       SER   1  29.689  21.842   3.183
    6   1HB   SER   1          1HB       SER   1  31.983  21.410   3.042
    7   2HB   SER   1          2HB       SER   1  31.444  21.199   1.379
    8    H    THR   2           H        THR   2  30.507  22.842   5.008
    9    HA   THR   2           HA       THR   2  30.483  25.767   4.877
   10    HB   THR   2           HB       THR   2  30.333  25.466   7.454
   11   1HG2  THR   2          1HG2      THR   2  28.426  26.056   5.924
   12   2HG2  THR   2          2HG2      THR   2  28.021  24.339   5.923
   13   3HG2  THR   2          3HG2      THR   2  28.002  25.249   7.433
   14    H    THR   3           H        THR   3  31.910  26.118   7.406
   15    HA   THR   3           HA       THR   3  34.633  25.816   6.402
   16    HB   THR   3           HB       THR   3  35.026  27.462   8.396
   17   1HG2  THR   3          1HG2      THR   3  34.483  29.387   7.076
   18   2HG2  THR   3          2HG2      THR   3  35.112  28.128   6.012
   19   3HG2  THR   3          3HG2      THR   3  33.376  28.441   6.079
   20    H    ALA   4           H        ALA   4  36.234  24.829   7.607
   21    HA   ALA   4           HA       ALA   4  35.298  22.976   9.592
   22   1HB   ALA   4          1HB       ALA   4  36.845  22.189   7.870
   23   2HB   ALA   4          2HB       ALA   4  38.068  23.324   8.443
   24   3HB   ALA   4          3HB       ALA   4  37.531  22.003   9.482
   25    H    VAL   5           H        VAL   5  34.931  23.896  11.432
   26    HA   VAL   5           HA       VAL   5  36.786  25.806  12.610
   27    HB   VAL   5           HB       VAL   5  34.309  26.178  12.698
   28   1HG1  VAL   5          1HG1      VAL   5  33.702  23.803  13.110
   29   2HG1  VAL   5          2HG1      VAL   5  34.305  23.979  14.759
   30   3HG1  VAL   5          3HG1      VAL   5  32.930  24.939  14.215
   31   1HG2  VAL   5          1HG2      VAL   5  35.507  25.931  15.455
   32   2HG2  VAL   5          2HG2      VAL   5  35.977  27.183  14.305
   33   3HG2  VAL   5          3HG2      VAL   5  34.316  27.101  14.891
   34    H2   A2G   7           H2       A2G   7  35.193  23.581   0.090
   35    H4   A2G   7           H4       A2G   7  31.785  24.543  -2.005
   36    H5   A2G   7           H5       A2G   7  31.197  23.118  -0.149
   37    H1   A2G   7           H1       A2G   7  34.100  21.828   1.302
   38    H3   A2G   7           H3       A2G   7  32.825  25.417  -0.152
   39    HO4  A2G   7           HO4      A2G   7  33.970  22.712  -2.568
   40   1H6   A2G   7          1H6       A2G   7  30.598  20.996  -1.332
   41   2H6   A2G   7          2H6       A2G   7  30.208  22.417  -2.290
   42    HN2  A2G   7           HN2      A2G   7  33.501  25.049   2.025
   43   1H8   A2G   7          1H8       A2G   7  34.530  26.158   3.516
   44   2H8   A2G   7          2H8       A2G   7  35.653  25.048   4.323
   45   3H8   A2G   7          3H8       A2G   7  36.279  26.413   3.380
   46    H2   A2G  10           H2       A2G  10  31.416  22.046   9.850
   47    H4   A2G  10           H4       A2G  10  27.769  20.620   8.635
   48    H5   A2G  10           H5       A2G  10  28.005  22.829   7.805
   49    H1   A2G  10           H1       A2G  10  30.986  24.224   8.851
   50    H3   A2G  10           H3       A2G  10  29.863  20.552   7.711
   51    HO4  A2G  10           HO4      A2G  10  28.859  21.409  11.212
   52   1H6   A2G  10          1H6       A2G  10  26.133  22.292   9.745
   53   2H6   A2G  10          2H6       A2G  10  26.926  23.699  10.447
   54    HN2  A2G  10           HN2      A2G  10  31.756  21.902   6.910
   55   1H8   A2G  10          1H8       A2G  10  33.704  21.023   6.281
   56   2H8   A2G  10          2H8       A2G  10  34.623  22.436   6.831
   57   3H8   A2G  10          3H8       A2G  10  35.037  20.820   7.432
   58    H2   A2G  13           H2       A2G  13  32.401  28.284  11.764
   59    H4   A2G  13           H4       A2G  13  30.370  30.561   9.074
   60    H5   A2G  13           H5       A2G  13  32.369  29.847   8.016
   61    H1   A2G  13           H1       A2G  13  34.218  27.842  10.191
   62    H3   A2G  13           H3       A2G  13  30.326  28.330   9.556
   63    HO4  A2G  13           HO4      A2G  13  31.895  31.223  11.456
   64   1H6   A2G  13          1H6       A2G  13  33.901  31.806   8.138
   65   2H6   A2G  13          2H6       A2G  13  32.222  32.313   8.067
   66    HN2  A2G  13           HN2      A2G  13  31.708  26.175   9.823
   67   1H8   A2G  13          1H8       A2G  13  31.906  24.067  10.967
   68   2H8   A2G  13          2H8       A2G  13  31.281  24.009  12.624
   69   3H8   A2G  13          3H8       A2G  13  30.206  24.449  11.288
  Start of MODEL   57
    1   1H    ACE   0          1H        ACE   0   8.152  28.450 -20.992
    2   2H    ACE   0          2H        ACE   0   7.748  27.007 -20.057
    3   3H    ACE   0          3H        ACE   0   7.792  26.934 -21.821
    4    H    SER   1           H        SER   1   9.882  28.169 -19.274
    5    HA   SER   1           HA       SER   1  12.007  26.317 -19.868
    6   1HB   SER   1          1HB       SER   1  13.615  27.837 -20.656
    7   2HB   SER   1          2HB       SER   1  12.154  28.293 -21.532
    8    H    THR   2           H        THR   2  13.601  26.252 -18.317
    9    HA   THR   2           HA       THR   2  12.906  27.573 -15.797
   10    HB   THR   2           HB       THR   2  14.554  25.818 -14.872
   11   1HG2  THR   2          1HG2      THR   2  12.922  24.280 -14.558
   12   2HG2  THR   2          2HG2      THR   2  11.952  25.675 -15.026
   13   3HG2  THR   2          3HG2      THR   2  12.316  24.417 -16.208
   14    H    THR   3           H        THR   3  15.549  27.190 -14.623
   15    HA   THR   3           HA       THR   3  16.894  29.489 -15.825
   16    HB   THR   3           HB       THR   3  18.179  29.333 -13.588
   17   1HG2  THR   3          1HG2      THR   3  16.087  30.822 -14.199
   18   2HG2  THR   3          2HG2      THR   3  15.305  29.790 -13.002
   19   3HG2  THR   3          3HG2      THR   3  16.719  30.745 -12.554
   20    H    ALA   4           H        ALA   4  19.095  29.427 -16.341
   21    HA   ALA   4           HA       ALA   4  20.078  26.798 -16.986
   22   1HB   ALA   4          1HB       ALA   4  20.177  28.853 -18.515
   23   2HB   ALA   4          2HB       ALA   4  21.515  29.394 -17.502
   24   3HB   ALA   4          3HB       ALA   4  21.638  27.874 -18.391
   25    H    VAL   5           H        VAL   5  22.896  27.974 -16.752
   26    HA   VAL   5           HA       VAL   5  23.341  27.038 -14.029
   27    HB   VAL   5           HB       VAL   5  25.768  27.113 -14.638
   28   1HG1  VAL   5          1HG1      VAL   5  24.036  25.507 -16.512
   29   2HG1  VAL   5          2HG1      VAL   5  25.710  25.159 -16.078
   30   3HG1  VAL   5          3HG1      VAL   5  24.442  25.065 -14.855
   31   1HG2  VAL   5          1HG2      VAL   5  24.758  27.709 -17.426
   32   2HG2  VAL   5          2HG2      VAL   5  25.575  28.872 -16.382
   33   3HG2  VAL   5          3HG2      VAL   5  26.431  27.437 -16.945
   34    H2   A2G   7           H2       A2G   7  13.341  32.681 -20.594
   35    H4   A2G   7           H4       A2G   7   9.335  31.632 -20.507
   36    H5   A2G   7           H5       A2G   7  10.582  29.678 -20.846
   37    H1   A2G   7           H1       A2G   7  13.945  30.470 -21.288
   38    H3   A2G   7           H3       A2G   7  10.933  32.026 -18.957
   39    HO4  A2G   7           HO4      A2G   7  10.871  32.989 -22.574
   40   1H6   A2G   7          1H6       A2G   7   9.836  29.000 -22.978
   41   2H6   A2G   7          2H6       A2G   7   8.819  30.399 -22.687
   42    HN2  A2G   7           HN2      A2G   7  12.827  31.083 -18.157
   43   1H8   A2G   7          1H8       A2G   7  15.916  31.338 -17.088
   44   2H8   A2G   7          2H8       A2G   7  15.072  32.775 -16.485
   45   3H8   A2G   7          3H8       A2G   7  14.219  31.225 -16.583
   46    H2   A2G  10           H2       A2G  10  17.698  23.609 -16.812
   47    H4   A2G  10           H4       A2G  10  14.610  21.334 -18.255
   48    H5   A2G  10           H5       A2G  10  13.712  22.937 -16.760
   49    H1   A2G  10           H1       A2G  10  16.207  24.847 -15.346
   50    H3   A2G  10           H3       A2G  10  15.645  23.244 -18.993
   51    HO4  A2G  10           HO4      A2G  10  16.815  20.787 -16.452
   52   1H6   A2G  10          1H6       A2G  10  14.343  20.823 -14.710
   53   2H6   A2G  10          2H6       A2G  10  12.837  21.629 -15.050
   54    HN2  A2G  10           HN2      A2G  10  16.142  25.607 -18.330
   55   1H8   A2G  10          1H8       A2G  10  17.544  26.690 -19.935
   56   2H8   A2G  10          2H8       A2G  10  17.936  27.628 -18.483
   57   3H8   A2G  10          3H8       A2G  10  19.237  26.936 -19.469
   58    H2   A2G  13           H2       A2G  13  18.589  25.970 -10.837
   59    H4   A2G  13           H4       A2G  13  14.835  27.142  -9.626
   60    H5   A2G  13           H5       A2G  13  15.603  28.644 -11.288
   61    H1   A2G  13           H1       A2G  13  18.815  27.900 -12.284
   62    H3   A2G  13           H3       A2G  13  15.603  25.692 -11.212
   63    HO4  A2G  13           HO4      A2G  13  17.428  27.151  -8.314
   64   1H6   A2G  13          1H6       A2G  13  15.141  29.601  -8.823
   65   2H6   A2G  13          2H6       A2G  13  16.834  30.068  -8.947
   66    HN2  A2G  13           HN2      A2G  13  17.042  25.590 -13.324
   67   1H8   A2G  13          1H8       A2G  13  18.554  24.089 -14.760
   68   2H8   A2G  13          2H8       A2G  13  18.959  22.613 -13.865
   69   3H8   A2G  13          3H8       A2G  13  17.272  23.140 -13.985
  Start of MODEL   58
    1   1H    ACE   0          1H        ACE   0 -12.358   3.171 -10.814
    2   2H    ACE   0          2H        ACE   0 -11.577   2.219 -12.080
    3   3H    ACE   0          3H        ACE   0 -10.618   3.311 -11.078
    4    H    SER   1           H        SER   1 -13.091   0.879 -10.463
    5    HA   SER   1           HA       SER   1 -11.674  -0.147  -8.167
    6   1HB   SER   1          1HB       SER   1 -13.596  -1.544  -7.805
    7   2HB   SER   1          2HB       SER   1 -14.186   0.041  -8.300
    8    H    THR   2           H        THR   2 -10.884  -2.247  -7.902
    9    HA   THR   2           HA       THR   2  -9.959  -3.466 -10.396
   10    HB   THR   2           HB       THR   2  -8.446  -4.772  -8.823
   11   1HG2  THR   2          1HG2      THR   2  -7.973  -1.863  -8.398
   12   2HG2  THR   2          2HG2      THR   2  -6.827  -3.152  -8.769
   13   3HG2  THR   2          3HG2      THR   2  -7.897  -2.535 -10.028
   14    H    THR   3           H        THR   3  -9.420  -5.997  -9.702
   15    HA   THR   3           HA       THR   3 -12.081  -7.196  -9.387
   16    HB   THR   3           HB       THR   3 -10.889  -9.179 -10.490
   17   1HG2  THR   3          1HG2      THR   3 -10.871  -8.202 -12.735
   18   2HG2  THR   3          2HG2      THR   3 -12.316  -7.745 -11.832
   19   3HG2  THR   3          3HG2      THR   3 -10.993  -6.592 -12.024
   20    H    ALA   4           H        ALA   4 -11.756  -9.641  -8.616
   21    HA   ALA   4           HA       ALA   4  -9.776  -9.951  -6.551
   22   1HB   ALA   4          1HB       ALA   4 -11.957  -8.666  -5.716
   23   2HB   ALA   4          2HB       ALA   4 -12.567 -10.312  -5.575
   24   3HB   ALA   4          3HB       ALA   4 -11.116  -9.829  -4.695
   25    H    VAL   5           H        VAL   5 -11.612 -11.991  -5.267
   26    HA   VAL   5           HA       VAL   5 -11.933 -13.981  -7.370
   27    HB   VAL   5           HB       VAL   5 -10.188 -14.515  -4.947
   28   1HG1  VAL   5          1HG1      VAL   5 -11.088 -16.265  -7.224
   29   2HG1  VAL   5          2HG1      VAL   5  -9.713 -16.660  -6.191
   30   3HG1  VAL   5          3HG1      VAL   5 -11.327 -16.514  -5.495
   31   1HG2  VAL   5          1HG2      VAL   5  -9.475 -14.152  -7.860
   32   2HG2  VAL   5          2HG2      VAL   5  -8.945 -13.167  -6.496
   33   3HG2  VAL   5          3HG2      VAL   5  -8.382 -14.831  -6.656
   34    H2   A2G   7           H2       A2G   7 -17.146  -3.024 -10.355
   35    H4   A2G   7           H4       A2G   7 -16.710   0.529 -12.372
   36    H5   A2G   7           H5       A2G   7 -15.167   0.508 -10.522
   37    H1   A2G   7           H1       A2G   7 -15.764  -2.303  -8.531
   38    H3   A2G   7           H3       A2G   7 -15.649  -1.497 -12.500
   39    HO4  A2G   7           HO4      A2G   7 -18.752  -0.475 -10.560
   40   1H6   A2G   7          1H6       A2G   7 -15.999   2.329  -9.287
   41   2H6   A2G   7          2H6       A2G   7 -17.039   2.384 -10.705
   42    HN2  A2G   7           HN2      A2G   7 -14.317  -3.172 -11.211
   43   1H8   A2G   7          1H8       A2G   7 -13.629  -5.084 -11.877
   44   2H8   A2G   7          2H8       A2G   7 -14.054  -6.190 -10.557
   45   3H8   A2G   7          3H8       A2G   7 -14.769  -6.412 -12.164
   46    H2   A2G  10           H2       A2G  10  -8.866  -5.861  -4.690
   47    H4   A2G  10           H4       A2G  10  -7.920  -1.988  -3.880
   48    H5   A2G  10           H5       A2G  10  -7.635  -2.321  -6.219
   49    H1   A2G  10           H1       A2G  10  -8.344  -5.616  -7.061
   50    H3   A2G  10           H3       A2G  10  -9.888  -3.007  -4.488
   51    HO4  A2G  10           HO4      A2G  10  -6.551  -4.504  -3.402
   52   1H6   A2G  10          1H6       A2G  10  -5.222  -2.448  -6.527
   53   2H6   A2G  10          2H6       A2G  10  -5.558  -1.524  -5.077
   54    HN2  A2G  10           HN2      A2G  10 -11.058  -4.495  -6.133
   55   1H8   A2G  10          1H8       A2G  10 -13.018  -5.381  -5.905
   56   2H8   A2G  10          2H8       A2G  10 -12.707  -7.011  -6.540
   57   3H8   A2G  10          3H8       A2G  10 -13.283  -6.800  -4.874
   58    H2   A2G  13           H2       A2G  13  -6.643 -10.106 -10.255
   59    H4   A2G  13           H4       A2G  13  -6.473  -7.545 -13.435
   60    H5   A2G  13           H5       A2G  13  -8.745  -7.922 -12.978
   61    H1   A2G  13           H1       A2G  13  -9.077 -10.031 -10.232
   62    H3   A2G  13           H3       A2G  13  -6.365  -7.242 -11.184
   63    HO4  A2G  13           HO4      A2G  13  -5.896 -10.383 -13.173
   64   1H6   A2G  13          1H6       A2G  13  -9.448  -9.081 -14.860
   65   2H6   A2G  13          2H6       A2G  13  -7.743  -8.938 -15.260
   66    HN2  A2G  13           HN2      A2G  13  -7.658  -7.628  -9.013
   67   1H8   A2G  13          1H8       A2G  13  -5.825  -8.547  -6.089
   68   2H8   A2G  13          2H8       A2G  13  -6.193  -7.103  -7.049
   69   3H8   A2G  13          3H8       A2G  13  -7.506  -8.149  -6.482
  Start of MODEL   59
    1   1H    ACE   0          1H        ACE   0  16.400  23.184 -33.186
    2   2H    ACE   0          2H        ACE   0  17.502  22.315 -32.113
    3   3H    ACE   0          3H        ACE   0  16.884  21.530 -33.569
    4    H    SER   1           H        SER   1  18.380  24.607 -32.731
    5    HA   SER   1           HA       SER   1  19.906  24.680 -35.180
    6   1HB   SER   1          1HB       SER   1  20.602  26.866 -34.504
    7   2HB   SER   1          2HB       SER   1  18.903  26.716 -34.051
    8    H    THR   2           H        THR   2  22.277  25.535 -34.837
    9    HA   THR   2           HA       THR   2  23.667  23.439 -33.346
   10    HB   THR   2           HB       THR   2  25.645  24.345 -34.739
   11   1HG2  THR   2          1HG2      THR   2  25.264  22.815 -36.333
   12   2HG2  THR   2          2HG2      THR   2  23.908  22.371 -35.295
   13   3HG2  THR   2          3HG2      THR   2  23.647  23.426 -36.685
   14    H    THR   3           H        THR   3  26.169  24.700 -33.140
   15    HA   THR   3           HA       THR   3  25.703  26.517 -30.906
   16    HB   THR   3           HB       THR   3  28.241  25.928 -30.602
   17   1HG2  THR   3          1HG2      THR   3  27.710  23.944 -29.364
   18   2HG2  THR   3          2HG2      THR   3  26.387  25.092 -29.162
   19   3HG2  THR   3          3HG2      THR   3  26.212  23.731 -30.273
   20    H    ALA   4           H        ALA   4  26.650  28.520 -30.810
   21    HA   ALA   4           HA       ALA   4  27.525  29.606 -33.332
   22   1HB   ALA   4          1HB       ALA   4  27.154  31.058 -30.720
   23   2HB   ALA   4          2HB       ALA   4  27.337  31.770 -32.322
   24   3HB   ALA   4          3HB       ALA   4  25.895  30.833 -31.933
   25    H    VAL   5           H        VAL   5  29.500  28.938 -33.725
   26    HA   VAL   5           HA       VAL   5  31.655  30.116 -32.175
   27    HB   VAL   5           HB       VAL   5  31.482  27.952 -31.108
   28   1HG1  VAL   5          1HG1      VAL   5  31.904  26.640 -33.781
   29   2HG1  VAL   5          2HG1      VAL   5  31.550  25.869 -32.235
   30   3HG1  VAL   5          3HG1      VAL   5  30.319  26.845 -33.038
   31   1HG2  VAL   5          1HG2      VAL   5  33.721  27.201 -31.343
   32   2HG2  VAL   5          2HG2      VAL   5  33.814  27.770 -33.010
   33   3HG2  VAL   5          3HG2      VAL   5  33.749  28.931 -31.684
   34    H2   A2G   7           H2       A2G   7  20.906  29.079 -30.410
   35    H4   A2G   7           H4       A2G   7  16.922  27.996 -30.292
   36    H5   A2G   7           H5       A2G   7  18.044  26.981 -32.207
   37    H1   A2G   7           H1       A2G   7  21.129  28.464 -32.699
   38    H3   A2G   7           H3       A2G   7  18.887  27.039 -29.569
   39    HO4  A2G   7           HO4      A2G   7  18.260  30.476 -31.017
   40   1H6   A2G   7          1H6       A2G   7  16.930  28.286 -34.102
   41   2H6   A2G   7          2H6       A2G   7  15.878  27.789 -32.805
   42    HN2  A2G   7           HN2      A2G   7  21.071  26.143 -30.509
   43   1H8   A2G   7          1H8       A2G   7  23.987  26.077 -29.521
   44   2H8   A2G   7          2H8       A2G   7  23.274  26.143 -27.899
   45   3H8   A2G   7          3H8       A2G   7  22.473  25.219 -29.182
   46    H2   A2G  10           H2       A2G  10  26.193  28.185 -36.601
   47    H4   A2G  10           H4       A2G  10  23.602  26.867 -39.484
   48    H5   A2G  10           H5       A2G  10  23.993  25.092 -37.927
   49    H1   A2G  10           H1       A2G  10  26.361  25.980 -35.587
   50    H3   A2G  10           H3       A2G  10  23.302  27.821 -37.411
   51    HO4  A2G  10           HO4      A2G  10  26.441  27.489 -39.467
   52   1H6   A2G  10          1H6       A2G  10  24.886  24.926 -40.565
   53   2H6   A2G  10          2H6       A2G  10  26.267  24.329 -39.656
   54    HN2  A2G  10           HN2      A2G  10  23.778  27.625 -34.989
   55   1H8   A2G  10          1H8       A2G  10  24.567  29.089 -32.616
   56   2H8   A2G  10          2H8       A2G  10  24.252  30.675 -33.343
   57   3H8   A2G  10          3H8       A2G  10  23.157  29.320 -33.667
   58    H2   A2G  13           H2       A2G  13  30.960  23.270 -32.924
   59    H4   A2G  13           H4       A2G  13  27.935  20.496 -32.564
   60    H5   A2G  13           H5       A2G  13  27.372  22.433 -31.310
   61    H1   A2G  13           H1       A2G  13  29.914  24.749 -31.311
   62    H3   A2G  13           H3       A2G  13  28.371  22.198 -34.030
   63    HO4  A2G  13           HO4      A2G  13  30.669  20.587 -31.592
   64   1H6   A2G  13          1H6       A2G  13  28.875  20.924 -29.165
   65   2H6   A2G  13          2H6       A2G  13  27.258  21.596 -29.132
   66    HN2  A2G  13           HN2      A2G  13  28.689  24.701 -34.149
   67   1H8   A2G  13          1H8       A2G  13  29.270  25.256 -36.499
   68   2H8   A2G  13          2H8       A2G  13  29.861  26.591 -35.493
   69   3H8   A2G  13          3H8       A2G  13  30.940  25.828 -36.675