*HEADER    SUGAR BINDING PROTEIN                   18-AUG-11   2LHX              
*TITLE     DI-O-GALNAC GLYCOSYLATED MUCIN SEQUENCE BASED ON MUC2 MUCIN           
*TITLE    2 GLYCOPROTEIN TANDEM REPEAT                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MUC2 MUCIN DOMAIN PEPTIDE;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SYNTHESIZED VIA SOLID PHASE PEPTIDE SYNTHESIS         
*KEYWDS    GLYCOSYLATION, TN ANTIGEN, SUGAR BINDING PROTEIN                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    24                                                                    
*AUTHOR    A.BORGERT, J.HEIMBURG-MOLINARO, Y.LASANAJAK, T.JU, M.LIU, P.THOMPSON, 
*AUTHOR   2 G.RAGUPATHI, G.BARANY, R.CUMMINGS, D.SMITH, D.LIVE                   
*REVDAT   1   04-APR-12 2LHX    0                                                



assign (resid 4 and name HA) (resid 4 and name CA)
       (resid 4 and name CB) (resid 4 and name HB)  1.0 290.0 25.0 2

assign (resid 5 and name HA) (resid 5 and name CA)
       (resid 5 and name CB) (resid 5 and name HB)  1.0 270.0 25.0 2

assign (resid 10 and name HN2) (resid 10 and name N2)
       (resid 10 and name C2) (resid 10 and name H2)  500.0 180.0 5.0 2

assign (resid 11 and name HN2) (resid 11 and name N2)
       (resid 11 and name C2) (resid 11 and name H2)  500.0 180.0 5.0 2
  nres=100
  class phi
  potential harmonic
  degeneracy 1
  coeff 6.98 -1.38 1.72 -60
  force 5
  
  assi (resi  2 and name C   ) (resi  3 and name N   )
       (resi  3 and name CA  ) (resi  3 and name C   )  8.30 0.50
   
  assi (resi  3 and name C   ) (resi  4 and name N   )
       (resi  4 and name CA  ) (resi  4 and name C   )  9.28 0.50

  assi (resi  4 and name C   ) (resi  5 and name N   )
       (resi  5 and name CA  ) (resi  5 and name C   )  8.79 0.50
  
  assi (resi  6 and name C   ) (resi  7 and name N   )
       (resi  7 and name CA  ) (resi  7 and name C   )  5.37 0.50
  
  assi (resi  7 and name C   ) (resi  8 and name N   )
       (resi  8 and name CA  ) (resi  8 and name C   )  6.83 0.50




assi (resi 11 and resn A2G  and name HN2 )
     (resi  4 and resn THR  and name HA  ) 3.40 1.60 1.60 ! W
assi (resi 10 and resn A2G  and name HN2 )
     (resi  3 and resn THR  and name HA  ) 3.40 1.60 1.60 ! W
assi (resi 10 and resn A2G  and name HN2 )
     (resi  4 and resn THR  and name HB  ) 3.40 1.60 1.60 ! W
assi (resi 11 and resn A2G  and name HN2 )
     (resi  4 and resn THR  and name HB  ) 3.40 1.60 1.60 ! W
assi (resi 11 and resn A2G  and name H5  )
     (resi  5 and resn THR  and name H   ) 3.40 1.60 1.60 ! W

assi (resi 10 and resn A2G  and name H8* )
     (resi  7 and resn LEU  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  3 and resn THR  and name H   )
     (resi  4 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi (resi 11 and resn A2G  and name HN2 )
     (resi  5 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi (resi 10 and resn A2G  and name HN2 )
     (resi  4 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  7 and resn LEU  and name H   )
     (resi  8 and resn LYS  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  4 and resn THR  and name H   )
     (resi  5 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  8 and resn LYS  and name H   )
     (resi  9 and resn NH2  and name HN1 ) 3.40 1.60 1.60 ! W
assi (resi  8 and resn LYS  and name H   )
     (resi  9 and resn NH2  and name HN2 ) 3.40 1.60 1.60 ! W
assi (resi 11 and resn A2G  and name H1  )
     (resi  5 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi (resi 11 and resn A2G  and name H1  )
     (resi 11 and resn A2G  and name HN2 ) 3.40 1.60 1.60 ! W
assi (resi 10 and resn A2G  and name H1  )
     (resi  5 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi (resi 10 and resn A2G  and name H1  )
     (resi  4 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi (resi 10 and resn A2G  and name H1  )
     (resi 10 and resn A2G  and name HN2 ) 3.40 1.60 1.60 ! W
assi (resi  4 and resn THR  and name HA  )
     (resi  4 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  4 and resn THR  and name HA  )
     (resi  5 and resn THR  and name H   ) 2.40 0.60 0.60 ! S
assi (resi  5 and resn THR  and name HA  )
     (resi  5 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  3 and resn THR  and name HA  )
     (resi  4 and resn THR  and name H   ) 2.40 0.60 0.60 ! S
assi (resi  3 and resn THR  and name HA  )
     (resi  3 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  2 and resn PRO  and name HA  )
     (resi  3 and resn THR  and name H   ) 2.90 1.10 1.10 ! M
assi (resi  6 and resn PRO  and name HA  )
     (resi  7 and resn LEU  and name H   ) 2.40 0.60 0.60 ! S
assi (resi  4 and resn THR  and name HB  )
     (resi  5 and resn THR  and name H   ) 2.90 1.10 1.10 ! M
assi (resi  4 and resn THR  and name HB  )
     (resi  4 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  5 and resn THR  and name HB  )
     (resi 11 and resn A2G  and name HN2 ) 3.40 1.60 1.60 ! W
assi (resi  5 and resn THR  and name HB  )
     (resi  5 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  3 and resn THR  and name HB  )
     (resi  4 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  3 and resn THR  and name HB  )
     (resi  3 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  8 and resn LYS  and name HA  )
     (resi  8 and resn LYS  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  8 and resn LYS  and name HA  )
     (resi  9 and resn NH2  and name HN1 ) 3.40 1.60 1.60 ! W
assi (resi  7 and resn LEU  and name HA  )
     (resi  8 and resn LYS  and name H   ) 2.40 0.60 0.60 ! S
assi (resi  7 and resn LEU  and name HA  )
     (resi  7 and resn LEU  and name H   ) 3.40 1.60 1.60 ! W
assi (resi 11 and resn A2G  and name H2  )
     (resi 11 and resn A2G  and name HN2 ) 3.40 1.60 1.60 ! W
assi (resi 10 and resn A2G  and name H2  )
     (resi 10 and resn A2G  and name HN2 ) 3.40 1.60 1.60 ! W
assi (resi 11 and resn A2G  and name H3  )
     (resi 11 and resn A2G  and name HN2 ) 3.40 1.60 1.60 ! W
assi (resi 10 and resn A2G  and name H3  )
     (resi 10 and resn A2G  and name HN2 ) 3.40 1.60 1.60 ! W
assi ((resi 11 and name H3) or (resi 10 and name H3))
     (resi  5 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  8 and resn LYS  and name HA  )
     (resi  9 and resn NH2  and name HN2 ) 3.40 1.60 1.60 ! W
assi ((resi 10 and name H3) or (resi 11 and name H3))
     (resi  4 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  6 and resn PRO  and name HD* )
     (resi  5 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi (resi 10 and resn A2G  and name H5  )
     (resi  4 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  6 and resn PRO  and name HB3 )
     (resi  7 and resn LEU  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  8 and resn LYS  and name HB2 )
     (resi  8 and resn LYS  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  8 and resn LYS  and name HB3 )
     (resi  8 and resn LYS  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  7 and resn LEU  and name HG  )
     (resi  8 and resn LYS  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  7 and resn LEU  and name HB2 )
     (resi  7 and resn LEU  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  7 and resn LEU  and name HB3 )
     (resi  7 and resn LEU  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  5 and resn THR  and name HG2*)
     (resi  5 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  4 and resn THR  and name HG2*)
     (resi  5 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi ((resi  4 and name HG2*) or (resi  3 and name HG2*))
     (resi  4 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  3 and resn THR  and name HG2* )
     (resi  3 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi ((resi  7 and name HD1*) or (resi  7 and name HD2*))
     (resi  8 and resn LYS  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  6 and resn PRO  and name HB2 )
     (resi  7 and resn LEU  and name H   ) 3.40 1.60 1.60 ! W
assi (resi 10 and resn A2G  and name H8* )
     (resi  4 and resn THR  and name H   ) 3.40 1.60 1.60 ! W

assi (resi 11 and resn A2G  and name H8* )
     (resi  8 and resn LYS  and name H   ) 3.40 1.60 1.60 ! W

assi (resi 11 and resn A2G  and name H8* )
     (resi  7 and resn LEU  and name H   ) 3.40 1.60 1.60 ! W
assi (resi 11 and resn A2G  and name H8* )
     (resi  5 and resn THR  and name H   ) 3.40 1.60 1.60 ! W
assi (resi 11 and resn A2G  and name H8* )
     (resi 11 and resn A2G  and name HN2 ) 3.40 1.60 1.60 ! W
assi (resi 10 and resn A2G  and name H8* )
     (resi 10 and resn A2G  and name HN2 ) 3.40 1.60 1.60 ! W
assi (resi  7 and resn LEU  and name HG  )
     (resi  7 and resn LEU  and name H   ) 3.40 1.60 1.60 ! W
assi (resi  5 and resn THR  and name HA  )
     (resi  5 and resn THR  and name HB  ) 2.90 1.10 1.10 ! M
assi (resi  5 and resn THR  and name HA  )
     (resi  6 and resn PRO  and name HD* ) 2.90 1.10 1.10 ! M
assi (resi 11 and resn A2G  and name H1  )
     (resi  5 and resn THR  and name HB  ) 2.40 0.60 0.60 ! S
assi (resi  4 and resn THR  and name HA  )
     (resi  4 and resn THR  and name HB  ) 2.90 1.10 1.10 ! M
assi (resi 10 and resn A2G  and name H1  )
     (resi  4 and resn THR  and name HB  ) 2.40 0.60 0.60 ! S
assi (resi 11 and resn A2G  and name H1  )
     (resi 11 and resn A2G  and name H2  ) 2.40 0.60 0.60 ! S
assi (resi 10 and resn A2G  and name H1  )
     (resi 10 and resn A2G  and name H2  ) 2.40 0.60 0.60 ! S
assi (resi 11 and resn A2G  and name H1  )
     (resi  6 and resn PRO  and name HD* ) 3.40 1.60 1.60 ! W
assi (resi 11 and resn A2G  and name H1  )
     (resi 11 and resn A2G  and name H3  ) 3.40 1.60 1.60 ! W
assi (resi 11 and resn A2G  and name H1  )
     (resi 11 and resn A2G  and name H4  ) 3.40 1.60 1.60 ! W
assi (resi 10 and resn A2G  and name H1  )
     (resi 10 and resn A2G  and name H3  ) 3.40 1.60 1.60 ! W
assi (resi  3 and resn THR  and name HA  )
     (resi  3 and resn THR  and name HB  ) 3.40 1.60 1.60 ! W
assi (resi  5 and resn THR  and name HB  )
     (resi  6 and resn PRO  and name HD* ) 2.90 1.10 1.10 ! M
assi (resi  6 and resn PRO  and name HA  )
     (resi  6 and resn PRO  and name HD* ) 3.40 1.60 1.60 ! W
assi (resi  4 and resn THR  and name HB  )
     (resi 10 and resn A2G  and name H5  ) 3.40 1.60 1.60 ! W
assi (resi 10 and resn A2G  and name H5  )
     (resi 10 and resn A2G  and name H6* ) 3.40 1.60 1.60 ! W
assi (resi 11 and resn A2G  and name H6* )
     (resi 11 and resn A2G  and name H5  ) 3.40 1.60 1.60 ! W

assi (resi  5 and resn THR  and name HB  )
     (resi 11 and resn A2G  and name H5  ) 3.40 1.60 1.60 ! W
assi (resi  8 and resn LYS  and name HA  )
     (resi  8 and resn LYS  and name HB2 ) 3.40 1.60 1.60 ! W
assi (resi  8 and resn LYS  and name HA  )
     (resi  8 and resn LYS  and name HB3 ) 3.40 1.60 1.60 ! W
assi (resi  7 and resn LEU  and name HA  )
     (resi  7 and resn LEU  and name HB2 ) 3.40 1.60 1.60 ! W
assi (resi  7 and resn LEU  and name HA  )
     (resi  7 and resn LEU  and name HB3 ) 3.40 1.60 1.60 ! W
assi (resi  7 and resn LEU  and name HA  )
     (resi  7 and resn LEU  and name HG  ) 3.40 1.60 1.60 ! W
assi (resi  6 and resn PRO  and name HD* )
     (resi  6 and resn PRO  and name HB3 ) 3.40 1.60 1.60 ! W
assi (resi  2 and resn PRO  and name HA  )
     (resi  2 and resn PRO  and name HB2 ) 3.40 1.60 1.60 ! W
assi (resi  6 and resn PRO  and name HA  )
     (resi  6 and resn PRO  and name HB3 ) 3.40 1.60 1.60 ! W
assi (resi  6 and resn PRO  and name HD* )
     (resi  6 and resn PRO  and name HB2 ) 3.40 1.60 1.60 ! W
assi (resi  6 and resn PRO  and name HA  )
     (resi  6 and resn PRO  and name HB2 ) 2.90 1.10 1.10 ! M
assi (resi 11 and resn A2G  and name H1  )
     (resi  5 and resn THR  and name HG2*) 3.40 1.60 1.60 ! W
assi (resi  5 and resn THR  and name HA  )
     (resi  5 and resn THR  and name HG2*) 3.40 1.60 1.60 ! W
assi (resi  5 and resn THR  and name HB  )
     (resi  5 and resn THR  and name HG2*) 3.40 1.60 1.60 ! W
assi (resi  3 and resn THR  and name HA  )
     (resi  3 and resn THR  and name HG2*) 3.40 1.60 1.60 ! W
assi (resi  4 and resn THR  and name HB  )
     (resi  4 and resn THR  and name HG2*) 3.40 1.60 1.60 ! W
assi (resi  4 and resn THR  and name HA  )
     (resi  4 and resn THR  and name HG2*) 3.40 1.60 1.60 ! W
assi (resi  6 and resn PRO  and name HD* )
     (resi  5 and resn THR  and name HG2*) 3.40 1.60 1.60 ! W

assi (resi 11 and resn A2G  and name H5  )
     (resi  5 and resn THR  and name HG2*) 3.40 1.60 1.60 ! W
assi (resi  7 and resn LEU  and name HA  )
     (resi  7 and resn LEU  and name HD2*) 3.40 1.60 1.60 ! W
assi (resi  7 and resn LEU  and name HA  )
     (resi  7 and resn LEU  and name HD1*) 3.40 1.60 1.60 ! W

assi (resi 10 and resn A2G  and name H5  )
     (resi  4 and resn THR  and name HG2*) 3.40 1.60 1.60 ! W
assi (resi  3 and resn THR  and name HB  )
     (resi  3 and resn THR  and name HG2*) 3.40 1.60 1.60 ! W
assi (resi 11 and resn A2G  and name H8* )
     (resi  7 and resn LEU  and name HA  ) 3.40 1.60 1.60 ! W
assi ((resi 10 and name H8#) or (resi  6 and name HG*))
     (resi  6 and resn PRO  and name HA  ) 3.40 1.60 1.60 ! W
assi (resi 10 and resn A2G  and name H1  )
     (resi  4 and resn THR  and name HG2*) 3.40 1.60 1.60 ! W
assi (resi  2 and resn PRO  and name HB3 )
     (resi  2 and resn PRO  and name HB2 ) 2.90 1.10 1.10 ! M
assi (resi  6 and resn PRO  and name HB3 )
     (resi  6 and resn PRO  and name HB2 ) 2.40 0.60 0.60 ! S
assi (resi  6 and resn PRO  and name HG* )
     (resi  6 and resn PRO  and name HB2 ) 3.40 1.60 1.60 ! W
assi (resi  2 and resn PRO  and name HG* )
     (resi  2 and resn PRO  and name HB2 ) 3.40 1.60 1.60 ! W
assi (resi 11 and resn A2G  and name H8* )
     (resi  7 and resn LEU  and name HD1*) 3.40 1.60 3.60 ! W
assi (resi 11 and resn A2G  and name H8* )
     (resi  7 and resn LEU  and name HD2*) 3.40 1.60 3.60 ! W
assi (resi  8 and resn LYS  and name HB3 )
     (resi  7 and resn LEU  and name HG  ) 3.40 1.60 1.60 ! W
assi (resi  8 and resn LYS  and name HD* )
     (resi  8 and resn LYS  and name HG2 ) 3.40 1.60 1.60 ! W
assi (resi  8 and resn LYS  and name HD* )
     (resi  8 and resn LYS  and name HG3 ) 3.40 1.60 1.60 ! W
assi (resi  8 and resn LYS  and name HG3 )
     (resi  8 and resn LYS  and name HB3 ) 3.40 1.60 1.60 ! W
assi (resi  8 and resn LYS  and name HG2 )
     (resi  8 and resn LYS  and name HB3 ) 3.40 1.60 1.60 ! W
assi (resi  7 and resn LEU  and name HD2*)
     (resi  7 and resn LEU  and name HG  ) 3.40 1.60 1.60 ! W
assi (resi  7 and resn LEU  and name HD1*)
     (resi  7 and resn LEU  and name HG  ) 3.40 1.60 1.60 ! W

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ACE   1           H1       ACE   1 -29.068  -8.890 -35.163
    2    H2   ACE   1           H2       ACE   1 -29.618  -7.362 -35.851
    3    H3   ACE   1           H3       ACE   1 -29.632  -7.599 -34.103
    4    HA   PRO   2           HA       PRO   2 -24.840  -7.762 -35.128
    5    HB2  PRO   2           HB2      PRO   2 -24.612  -6.766 -37.822
    6    HB3  PRO   2           HB3      PRO   2 -24.106  -8.340 -37.190
    7    HG2  PRO   2           HG2      PRO   2 -26.497  -7.623 -38.706
    8    HG3  PRO   2           HG3      PRO   2 -25.755  -9.209 -38.448
    9    HD2  PRO   2           HD2      PRO   2 -28.127  -8.463 -37.299
   10    HD3  PRO   2           HD3      PRO   2 -27.018  -9.641 -36.562
   11    H    THR   3           H        THR   3 -24.398  -6.012 -33.899
   12    HA   THR   3           HA       THR   3 -24.432  -3.375 -35.160
   13    HB   THR   3           HB       THR   3 -25.703  -3.722 -32.448
   14    HG1  THR   3           HG1      THR   3 -26.896  -4.850 -34.064
   15   HG21  THR   3          HG21      THR   3 -26.074  -1.481 -32.559
   16   HG22  THR   3          HG22      THR   3 -26.433  -1.528 -34.285
   17   HG23  THR   3          HG23      THR   3 -24.758  -1.508 -33.732
   18    H    THR   4           H        THR   4 -22.900  -1.982 -34.335
   19    HA   THR   4           HA       THR   4 -21.351  -2.867 -31.994
   20    HB   THR   4           HB       THR   4 -19.240  -2.388 -33.213
   21   HG21  THR   4          HG21      THR   4 -19.120  -4.492 -34.202
   22   HG22  THR   4          HG22      THR   4 -20.740  -4.372 -34.889
   23   HG23  THR   4          HG23      THR   4 -20.534  -4.688 -33.166
   24    H    THR   5           H        THR   5 -19.703  -1.098 -31.406
   25    HA   THR   5           HA       THR   5 -21.150   1.453 -31.408
   26    HB   THR   5           HB       THR   5 -19.116   1.913 -29.728
   27   HG21  THR   5          HG21      THR   5 -21.470   0.150 -28.997
   28   HG22  THR   5          HG22      THR   5 -21.579   1.894 -29.235
   29   HG23  THR   5          HG23      THR   5 -20.594   1.243 -27.925
   30    HA   PRO   6           HA       PRO   6 -18.695   3.739 -34.198
   31    HB2  PRO   6           HB2      PRO   6 -17.723   5.668 -32.292
   32    HB3  PRO   6           HB3      PRO   6 -19.024   5.859 -33.477
   33    HG2  PRO   6           HG2      PRO   6 -19.180   5.312 -30.613
   34    HG3  PRO   6           HG3      PRO   6 -20.418   5.933 -31.715
   35    HD2  PRO   6           HD2      PRO   6 -20.498   3.414 -30.642
   36    HD3  PRO   6           HD3      PRO   6 -21.222   3.825 -32.214
   37    H    LEU   7           H        LEU   7 -16.999   2.360 -34.692
   38    HA   LEU   7           HA       LEU   7 -14.969   1.224 -34.348
   39    HB2  LEU   7           HB2      LEU   7 -14.709   3.592 -35.489
   40    HB3  LEU   7           HB3      LEU   7 -13.837   3.970 -34.003
   41    HG   LEU   7           HG       LEU   7 -12.670   1.631 -34.517
   42   HD11  LEU   7          HD11      LEU   7 -14.071   1.189 -36.509
   43   HD12  LEU   7          HD12      LEU   7 -12.367   1.327 -36.942
   44   HD13  LEU   7          HD13      LEU   7 -13.467   2.669 -37.255
   45   HD21  LEU   7          HD21      LEU   7 -11.514   3.794 -34.310
   46   HD22  LEU   7          HD22      LEU   7 -12.015   4.230 -35.944
   47   HD23  LEU   7          HD23      LEU   7 -10.888   2.897 -35.693
   48    H    LYS   8           H        LYS   8 -12.739   2.728 -32.971
   49    HA   LYS   8           HA       LYS   8 -13.099   1.508 -30.376
   50    HB2  LYS   8           HB2      LYS   8 -10.801   2.165 -29.970
   51    HB3  LYS   8           HB3      LYS   8 -10.920   1.491 -31.596
   52    HG2  LYS   8           HG2      LYS   8  -9.913   3.395 -32.289
   53    HG3  LYS   8           HG3      LYS   8 -11.467   4.176 -31.998
   54    HD2  LYS   8           HD2      LYS   8 -10.782   4.671 -29.675
   55    HD3  LYS   8           HD3      LYS   8  -9.221   3.907 -29.978
   56    HE2  LYS   8           HE2      LYS   8  -8.729   5.554 -31.730
   57    HE3  LYS   8           HE3      LYS   8 -10.308   6.301 -31.489
   58    HZ1  LYS   8           HZ1      LYS   8  -8.249   7.275 -30.304
   59    HZ2  LYS   8           HZ2      LYS   8  -8.468   5.991 -29.213
   60    HZ3  LYS   8           HZ3      LYS   8  -9.705   7.131 -29.446
   61    HN1  NH2   9           HN1      NH2   9 -11.927   3.857 -28.525
   62    HN2  NH2   9           HN2      NH2   9 -13.554   3.572 -28.136
   63    H1   A2G  10           H1       A2G  10 -18.820  -0.594 -34.375
   64    H2   A2G  10           H2       A2G  10 -18.455   0.295 -36.637
   65    HN2  A2G  10           HN2      A2G  10 -21.317   0.170 -35.889
   66    H3   A2G  10           H3       A2G  10 -20.539  -1.730 -37.499
   67    HO3  A2G  10           HO3      A2G  10 -20.687  -0.239 -38.980
   68    H4   A2G  10           H4       A2G  10 -18.727  -2.863 -38.656
   69    HO4  A2G  10           HO4      A2G  10 -17.555  -0.691 -38.731
   70    H5   A2G  10           H5       A2G  10 -19.100  -3.532 -36.324
   71    H6   A2G  10           H6       A2G  10 -16.831  -4.398 -35.817
   72    H8   A2G  10           H8       A2G  10 -21.832   2.509 -34.855
   73    H8A  A2G  10           H8A      A2G  10 -22.424   2.396 -36.512
   74    H8B  A2G  10           H8B      A2G  10 -21.391   3.744 -36.034
   75    H14  A2G  10           H14      A2G  10 -17.226  -4.591 -37.525
   76    H15  A2G  10           H15      A2G  10 -16.018  -2.210 -36.782
   77    H1   A2G  11           H1       A2G  11 -17.262   0.992 -29.554
   78    H2   A2G  11           H2       A2G  11 -15.848  -0.853 -28.757
   79    HN2  A2G  11           HN2      A2G  11 -17.471  -1.726 -31.074
   80    H3   A2G  11           H3       A2G  11 -18.386  -2.506 -28.842
   81    HO3  A2G  11           HO3      A2G  11 -16.104  -3.368 -27.563
   82    H4   A2G  11           H4       A2G  11 -18.234  -2.572 -26.418
   83    HO4  A2G  11           HO4      A2G  11 -15.748  -1.766 -26.924
   84    H5   A2G  11           H5       A2G  11 -19.480  -0.682 -27.368
   85    H6   A2G  11           H6       A2G  11 -18.543  -0.847 -24.805
   86    H8   A2G  11           H8       A2G  11 -16.435  -2.183 -32.932
   87    H8A  A2G  11           H8A      A2G  11 -14.684  -2.390 -32.875
   88    H8B  A2G  11           H8B      A2G  11 -15.373  -0.811 -33.251
   89    H14  A2G  11           H14      A2G  11 -17.955   0.748 -25.272
   90    H15  A2G  11           H15      A2G  11 -20.197   1.043 -26.090
  Start of MODEL    2
    1    H1   ACE   1           H1       ACE   1 -24.560  -8.200 -33.075
    2    H2   ACE   1           H2       ACE   1 -24.132  -9.395 -34.301
    3    H3   ACE   1           H3       ACE   1 -25.816  -9.188 -33.819
    4    HA   PRO   2           HA       PRO   2 -26.848  -6.213 -36.859
    5    HB2  PRO   2           HB2      PRO   2 -27.083  -3.893 -35.167
    6    HB3  PRO   2           HB3      PRO   2 -28.379  -4.897 -35.835
    7    HG2  PRO   2           HG2      PRO   2 -27.215  -4.900 -33.158
    8    HG3  PRO   2           HG3      PRO   2 -28.760  -5.554 -33.719
    9    HD2  PRO   2           HD2      PRO   2 -26.651  -7.133 -32.971
   10    HD3  PRO   2           HD3      PRO   2 -27.868  -7.638 -34.165
   11    H    THR   3           H        THR   3 -25.125  -4.163 -34.504
   12    HA   THR   3           HA       THR   3 -22.881  -3.842 -36.350
   13    HB   THR   3           HB       THR   3 -23.053  -1.357 -36.237
   14    HG1  THR   3           HG1      THR   3 -24.626  -0.459 -35.162
   15   HG21  THR   3          HG21      THR   3 -24.698  -1.173 -37.969
   16   HG22  THR   3          HG22      THR   3 -25.561  -2.598 -37.388
   17   HG23  THR   3          HG23      THR   3 -23.973  -2.772 -38.137
   18    H    THR   4           H        THR   4 -21.458  -1.913 -35.225
   19    HA   THR   4           HA       THR   4 -20.990  -2.919 -32.496
   20    HB   THR   4           HB       THR   4 -18.815  -1.402 -33.015
   21   HG21  THR   4          HG21      THR   4 -18.833  -3.790 -32.379
   22   HG22  THR   4          HG22      THR   4 -17.714  -3.496 -33.710
   23   HG23  THR   4          HG23      THR   4 -19.289  -4.223 -34.027
   24    H    THR   5           H        THR   5 -19.735  -1.025 -31.205
   25    HA   THR   5           HA       THR   5 -21.731   1.114 -30.977
   26    HB   THR   5           HB       THR   5 -20.097   1.530 -28.874
   27   HG21  THR   5          HG21      THR   5 -22.129  -0.714 -28.936
   28   HG22  THR   5          HG22      THR   5 -22.570   0.994 -28.921
   29   HG23  THR   5          HG23      THR   5 -21.695   0.296 -27.558
   30    HA   PRO   6           HA       PRO   6 -19.496   4.421 -32.732
   31    HB2  PRO   6           HB2      PRO   6 -19.344   6.023 -30.343
   32    HB3  PRO   6           HB3      PRO   6 -20.447   6.207 -31.716
   33    HG2  PRO   6           HG2      PRO   6 -20.918   5.001 -29.098
   34    HG3  PRO   6           HG3      PRO   6 -22.078   5.587 -30.298
   35    HD2  PRO   6           HD2      PRO   6 -21.708   2.929 -29.751
   36    HD3  PRO   6           HD3      PRO   6 -22.250   3.529 -31.335
   37    H    LEU   7           H        LEU   7 -17.586   2.957 -32.798
   38    HA   LEU   7           HA       LEU   7 -15.292   4.215 -31.685
   39    HB2  LEU   7           HB2      LEU   7 -16.407   2.705 -29.790
   40    HB3  LEU   7           HB3      LEU   7 -15.517   1.436 -30.633
   41    HG   LEU   7           HG       LEU   7 -13.541   3.189 -30.534
   42   HD11  LEU   7          HD11      LEU   7 -14.889   3.917 -27.955
   43   HD12  LEU   7          HD12      LEU   7 -15.309   4.805 -29.418
   44   HD13  LEU   7          HD13      LEU   7 -13.641   4.787 -28.846
   45   HD21  LEU   7          HD21      LEU   7 -13.198   2.281 -28.045
   46   HD22  LEU   7          HD22      LEU   7 -13.088   1.202 -29.436
   47   HD23  LEU   7          HD23      LEU   7 -14.572   1.268 -28.485
   48    H    LYS   8           H        LYS   8 -13.292   3.158 -32.351
   49    HA   LYS   8           HA       LYS   8 -13.584   1.923 -34.947
   50    HB2  LYS   8           HB2      LYS   8 -11.491   3.279 -33.450
   51    HB3  LYS   8           HB3      LYS   8 -10.888   1.830 -34.254
   52    HG2  LYS   8           HG2      LYS   8 -11.749   2.588 -36.392
   53    HG3  LYS   8           HG3      LYS   8 -12.537   3.970 -35.629
   54    HD2  LYS   8           HD2      LYS   8 -10.347   4.858 -34.944
   55    HD3  LYS   8           HD3      LYS   8  -9.546   3.467 -35.676
   56    HE2  LYS   8           HE2      LYS   8  -9.400   5.180 -37.316
   57    HE3  LYS   8           HE3      LYS   8 -10.722   4.147 -37.859
   58    HZ1  LYS   8           HZ1      LYS   8 -12.267   5.707 -37.378
   59    HZ2  LYS   8           HZ2      LYS   8 -10.961   6.759 -37.652
   60    HZ3  LYS   8           HZ3      LYS   8 -11.403   6.342 -36.065
   61    HN1  NH2   9           HN1      NH2   9 -12.932  -1.062 -34.939
   62    HN2  NH2   9           HN2      NH2   9 -11.383  -0.392 -34.761
   63    H1   A2G  10           H1       A2G  10 -17.826  -0.387 -34.547
   64    H2   A2G  10           H2       A2G  10 -17.297   0.074 -36.903
   65    HN2  A2G  10           HN2      A2G  10 -20.194   0.230 -36.317
   66    H3   A2G  10           H3       A2G  10 -19.456  -1.958 -37.527
   67    HO3  A2G  10           HO3      A2G  10 -18.085  -0.032 -38.931
   68    H4   A2G  10           H4       A2G  10 -17.663  -3.369 -38.364
   69    HO4  A2G  10           HO4      A2G  10 -16.064  -1.159 -37.625
   70    H5   A2G  10           H5       A2G  10 -18.191  -3.601 -35.978
   71    H6   A2G  10           H6       A2G  10 -15.986  -4.459 -35.194
   72    H8   A2G  10           H8       A2G  10 -20.768   2.612 -35.839
   73    H8A  A2G  10           H8A      A2G  10 -21.052   2.437 -37.570
   74    H8B  A2G  10           H8B      A2G  10 -20.022   3.737 -36.972
   75    H14  A2G  10           H14      A2G  10 -16.342  -4.964 -36.845
   76    H15  A2G  10           H15      A2G  10 -14.192  -3.857 -36.153
   77    H1   A2G  11           H1       A2G  11 -18.090   0.889 -28.708
   78    H2   A2G  11           H2       A2G  11 -16.493  -0.841 -28.001
   79    HN2  A2G  11           HN2      A2G  11 -17.736  -1.447 -30.619
   80    H3   A2G  11           H3       A2G  11 -18.715  -2.801 -28.635
   81    HO3  A2G  11           HO3      A2G  11 -17.235  -4.284 -28.278
   82    H4   A2G  11           H4       A2G  11 -18.809  -3.221 -26.244
   83    HO4  A2G  11           HO4      A2G  11 -16.507  -1.727 -26.325
   84    H5   A2G  11           H5       A2G  11 -20.233  -1.402 -27.073
   85    H6   A2G  11           H6       A2G  11 -19.539  -1.823 -24.457
   86    H8   A2G  11           H8       A2G  11 -16.374  -1.713 -32.345
   87    H8A  A2G  11           H8A      A2G  11 -14.629  -1.665 -32.091
   88    H8B  A2G  11           H8B      A2G  11 -15.529  -0.164 -32.318
   89    H14  A2G  11           H14      A2G  11 -19.193  -0.102 -24.629
   90    H15  A2G  11           H15      A2G  11 -21.390  -0.616 -24.030
  Start of MODEL    3
    1    H1   ACE   1           H1       ACE   1 -20.702  -7.157 -38.102
    2    H2   ACE   1           H2       ACE   1 -21.449  -8.564 -37.342
    3    H3   ACE   1           H3       ACE   1 -20.621  -7.361 -36.352
    4    HA   PRO   2           HA       PRO   2 -25.416  -6.801 -36.796
    5    HB2  PRO   2           HB2      PRO   2 -25.379  -6.466 -33.934
    6    HB3  PRO   2           HB3      PRO   2 -26.171  -7.738 -34.879
    7    HG2  PRO   2           HG2      PRO   2 -23.641  -7.804 -33.420
    8    HG3  PRO   2           HG3      PRO   2 -24.657  -9.139 -33.984
    9    HD2  PRO   2           HD2      PRO   2 -22.233  -8.531 -35.103
   10    HD3  PRO   2           HD3      PRO   2 -23.557  -9.296 -36.010
   11    H    THR   3           H        THR   3 -23.698  -5.297 -34.060
   12    HA   THR   3           HA       THR   3 -23.756  -2.691 -35.382
   13    HB   THR   3           HB       THR   3 -25.672  -2.099 -34.352
   14    HG1  THR   3           HG1      THR   3 -25.367  -1.628 -32.073
   15   HG21  THR   3          HG21      THR   3 -26.376  -4.347 -33.925
   16   HG22  THR   3          HG22      THR   3 -26.594  -3.463 -32.414
   17   HG23  THR   3          HG23      THR   3 -25.207  -4.532 -32.618
   18    H    THR   4           H        THR   4 -22.365  -1.153 -34.417
   19    HA   THR   4           HA       THR   4 -20.675  -2.114 -32.209
   20    HB   THR   4           HB       THR   4 -18.801  -0.911 -33.748
   21   HG21  THR   4          HG21      THR   4 -19.737  -3.784 -33.696
   22   HG22  THR   4          HG22      THR   4 -18.410  -3.058 -32.789
   23   HG23  THR   4          HG23      THR   4 -18.263  -3.292 -34.530
   24    H    THR   5           H        THR   5 -19.792  -0.497 -30.931
   25    HA   THR   5           HA       THR   5 -21.039   2.138 -31.258
   26    HB   THR   5           HB       THR   5 -19.792   2.329 -28.884
   27   HG21  THR   5          HG21      THR   5 -21.951   1.197 -27.952
   28   HG22  THR   5          HG22      THR   5 -22.411   1.051 -29.647
   29   HG23  THR   5          HG23      THR   5 -22.123   2.644 -28.946
   30    HA   PRO   6           HA       PRO   6 -17.596   4.297 -32.857
   31    HB2  PRO   6           HB2      PRO   6 -17.587   6.306 -30.791
   32    HB3  PRO   6           HB3      PRO   6 -18.222   6.432 -32.439
   33    HG2  PRO   6           HG2      PRO   6 -19.640   5.965 -29.928
   34    HG3  PRO   6           HG3      PRO   6 -20.257   6.533 -31.486
   35    HD2  PRO   6           HD2      PRO   6 -20.805   4.046 -30.486
   36    HD3  PRO   6           HD3      PRO   6 -20.734   4.396 -32.229
   37    H    LEU   7           H        LEU   7 -16.053   2.644 -32.316
   38    HA   LEU   7           HA       LEU   7 -13.970   3.532 -30.598
   39    HB2  LEU   7           HB2      LEU   7 -15.601   2.643 -28.905
   40    HB3  LEU   7           HB3      LEU   7 -15.420   1.053 -29.648
   41    HG   LEU   7           HG       LEU   7 -12.965   1.177 -29.238
   42   HD11  LEU   7          HD11      LEU   7 -12.562   3.046 -27.326
   43   HD12  LEU   7          HD12      LEU   7 -13.778   3.877 -28.296
   44   HD13  LEU   7          HD13      LEU   7 -12.267   3.352 -29.038
   45   HD21  LEU   7          HD21      LEU   7 -14.522   1.678 -26.688
   46   HD22  LEU   7          HD22      LEU   7 -13.095   0.663 -26.897
   47   HD23  LEU   7          HD23      LEU   7 -14.638   0.171 -27.597
   48    H    LYS   8           H        LYS   8 -13.392   3.129 -32.985
   49    HA   LYS   8           HA       LYS   8 -11.851   0.687 -33.090
   50    HB2  LYS   8           HB2      LYS   8 -12.900  -0.399 -34.854
   51    HB3  LYS   8           HB3      LYS   8 -14.286   0.218 -33.954
   52    HG2  LYS   8           HG2      LYS   8 -14.046   2.322 -35.467
   53    HG3  LYS   8           HG3      LYS   8 -13.079   1.273 -36.504
   54    HD2  LYS   8           HD2      LYS   8 -14.950  -0.340 -36.613
   55    HD3  LYS   8           HD3      LYS   8 -15.920   0.725 -35.595
   56    HE2  LYS   8           HE2      LYS   8 -16.123   2.354 -37.263
   57    HE3  LYS   8           HE3      LYS   8 -14.693   1.789 -38.125
   58    HZ1  LYS   8           HZ1      LYS   8 -17.331   1.107 -38.613
   59    HZ2  LYS   8           HZ2      LYS   8 -16.605  -0.283 -37.958
   60    HZ3  LYS   8           HZ3      LYS   8 -15.946   0.452 -39.341
   61    HN1  NH2   9           HN1      NH2   9 -12.794   3.776 -34.752
   62    HN2  NH2   9           HN2      NH2   9 -11.133   4.118 -34.804
   63    H1   A2G  10           H1       A2G  10 -18.113  -0.721 -35.571
   64    H2   A2G  10           H2       A2G  10 -18.709   0.362 -37.696
   65    HN2  A2G  10           HN2      A2G  10 -20.760   0.932 -35.639
   66    H3   A2G  10           H3       A2G  10 -21.442  -0.877 -37.276
   67    HO3  A2G  10           HO3      A2G  10 -20.562   1.209 -38.666
   68    H4   A2G  10           H4       A2G  10 -20.930  -2.274 -39.196
   69    HO4  A2G  10           HO4      A2G  10 -18.555  -2.139 -39.802
   70    H5   A2G  10           H5       A2G  10 -20.235  -3.154 -37.014
   71    H6   A2G  10           H6       A2G  10 -18.871  -4.851 -37.838
   72    H8   A2G  10           H8       A2G  10 -20.495   2.927 -34.519
   73    H8A  A2G  10           H8A      A2G  10 -20.888   3.826 -35.984
   74    H8B  A2G  10           H8B      A2G  10 -19.360   4.118 -35.154
   75    H14  A2G  10           H14      A2G  10 -19.491  -4.178 -39.345
   76    H15  A2G  10           H15      A2G  10 -17.480  -2.704 -38.894
   77    H1   A2G  11           H1       A2G  11 -18.085   1.269 -28.498
   78    H2   A2G  11           H2       A2G  11 -16.858  -0.741 -27.826
   79    HN2  A2G  11           HN2      A2G  11 -18.264  -1.071 -30.410
   80    H3   A2G  11           H3       A2G  11 -19.447  -2.216 -28.379
   81    HO3  A2G  11           HO3      A2G  11 -17.615  -3.571 -27.010
   82    H4   A2G  11           H4       A2G  11 -19.521  -2.615 -25.977
   83    HO4  A2G  11           HO4      A2G  11 -17.177  -1.019 -25.937
   84    H5   A2G  11           H5       A2G  11 -20.610  -0.569 -26.783
   85    H6   A2G  11           H6       A2G  11 -20.748  -0.857 -24.407
   86    H8   A2G  11           H8       A2G  11 -17.069  -1.219 -32.206
   87    H8A  A2G  11           H8A      A2G  11 -15.668  -2.268 -31.988
   88    H8B  A2G  11           H8B      A2G  11 -15.458  -0.518 -32.061
   89    H14  A2G  11           H14      A2G  11 -19.082  -0.322 -24.181
   90    H15  A2G  11           H15      A2G  11 -21.380   1.139 -24.508
  Start of MODEL    4
    1    H1   ACE   1           H1       ACE   1 -26.765  -6.819 -39.312
    2    H2   ACE   1           H2       ACE   1 -28.226  -6.273 -38.486
    3    H3   ACE   1           H3       ACE   1 -27.688  -7.945 -38.318
    4    HA   PRO   2           HA       PRO   2 -25.263  -7.331 -34.729
    5    HB2  PRO   2           HB2      PRO   2 -22.645  -7.642 -35.893
    6    HB3  PRO   2           HB3      PRO   2 -23.574  -8.822 -34.956
    7    HG2  PRO   2           HG2      PRO   2 -23.212  -8.612 -37.845
    8    HG3  PRO   2           HG3      PRO   2 -23.745  -9.989 -36.870
    9    HD2  PRO   2           HD2      PRO   2 -25.420  -8.587 -38.524
   10    HD3  PRO   2           HD3      PRO   2 -25.978  -9.427 -37.058
   11    H    THR   3           H        THR   3 -25.478  -5.183 -34.204
   12    HA   THR   3           HA       THR   3 -23.908  -3.169 -35.628
   13    HB   THR   3           HB       THR   3 -25.140  -1.733 -33.746
   14    HG1  THR   3           HG1      THR   3 -26.080  -4.204 -33.423
   15   HG21  THR   3          HG21      THR   3 -25.626  -1.225 -35.975
   16   HG22  THR   3          HG22      THR   3 -27.184  -1.803 -35.382
   17   HG23  THR   3          HG23      THR   3 -26.152  -2.869 -36.337
   18    H    THR   4           H        THR   4 -22.797  -1.488 -34.241
   19    HA   THR   4           HA       THR   4 -21.605  -2.634 -31.807
   20    HB   THR   4           HB       THR   4 -19.397  -1.530 -32.788
   21   HG21  THR   4          HG21      THR   4 -18.768  -3.754 -33.657
   22   HG22  THR   4          HG22      THR   4 -20.468  -4.226 -33.675
   23   HG23  THR   4          HG23      THR   4 -19.660  -3.897 -32.142
   24    H    THR   5           H        THR   5 -19.916  -0.772 -31.025
   25    HA   THR   5           HA       THR   5 -21.623   1.586 -30.656
   26    HB   THR   5           HB       THR   5 -19.531   2.014 -28.997
   27   HG21  THR   5          HG21      THR   5 -20.918   0.968 -27.241
   28   HG22  THR   5          HG22      THR   5 -21.863   0.145 -28.482
   29   HG23  THR   5          HG23      THR   5 -21.911   1.904 -28.360
   30    HA   PRO   6           HA       PRO   6 -19.053   4.231 -33.039
   31    HB2  PRO   6           HB2      PRO   6 -19.161   6.448 -31.200
   32    HB3  PRO   6           HB3      PRO   6 -20.129   6.186 -32.659
   33    HG2  PRO   6           HG2      PRO   6 -21.084   6.136 -30.068
   34    HG3  PRO   6           HG3      PRO   6 -21.895   5.445 -31.481
   35    HD2  PRO   6           HD2      PRO   6 -20.360   4.065 -29.329
   36    HD3  PRO   6           HD3      PRO   6 -21.723   3.472 -30.305
   37    H    LEU   7           H        LEU   7 -17.021   3.172 -32.810
   38    HA   LEU   7           HA       LEU   7 -14.976   4.750 -31.614
   39    HB2  LEU   7           HB2      LEU   7 -15.970   3.520 -29.613
   40    HB3  LEU   7           HB3      LEU   7 -15.334   2.041 -30.332
   41    HG   LEU   7           HG       LEU   7 -13.402   4.268 -30.209
   42   HD11  LEU   7          HD11      LEU   7 -12.973   3.945 -27.790
   43   HD12  LEU   7          HD12      LEU   7 -14.401   2.917 -27.682
   44   HD13  LEU   7          HD13      LEU   7 -14.574   4.627 -28.077
   45   HD21  LEU   7          HD21      LEU   7 -12.792   1.996 -30.916
   46   HD22  LEU   7          HD22      LEU   7 -13.362   1.349 -29.377
   47   HD23  LEU   7          HD23      LEU   7 -11.952   2.408 -29.421
   48    H    LYS   8           H        LYS   8 -13.075   4.361 -32.617
   49    HA   LYS   8           HA       LYS   8 -13.026   2.389 -34.729
   50    HB2  LYS   8           HB2      LYS   8 -12.047   4.662 -34.995
   51    HB3  LYS   8           HB3      LYS   8 -10.829   4.247 -33.788
   52    HG2  LYS   8           HG2      LYS   8  -9.917   2.516 -35.171
   53    HG3  LYS   8           HG3      LYS   8 -11.278   2.608 -36.291
   54    HD2  LYS   8           HD2      LYS   8 -10.615   4.894 -36.925
   55    HD3  LYS   8           HD3      LYS   8  -9.262   4.819 -35.795
   56    HE2  LYS   8           HE2      LYS   8  -9.535   2.667 -37.865
   57    HE3  LYS   8           HE3      LYS   8  -8.896   4.238 -38.349
   58    HZ1  LYS   8           HZ1      LYS   8  -6.961   3.447 -37.613
   59    HZ2  LYS   8           HZ2      LYS   8  -7.687   2.181 -36.743
   60    HZ3  LYS   8           HZ3      LYS   8  -7.568   3.730 -36.055
   61    HN1  NH2   9           HN1      NH2   9 -10.894   2.208 -31.461
   62    HN2  NH2   9           HN2      NH2   9  -9.769   2.178 -32.732
   63    H1   A2G  10           H1       A2G  10 -18.524  -0.679 -34.483
   64    H2   A2G  10           H2       A2G  10 -18.356  -0.248 -36.896
   65    HN2  A2G  10           HN2      A2G  10 -21.041   0.380 -35.816
   66    H3   A2G  10           H3       A2G  10 -20.916  -1.853 -37.117
   67    HO3  A2G  10           HO3      A2G  10 -19.394  -0.248 -38.802
   68    H4   A2G  10           H4       A2G  10 -19.587  -3.541 -38.245
   69    HO4  A2G  10           HO4      A2G  10 -17.188  -2.309 -37.597
   70    H5   A2G  10           H5       A2G  10 -19.680  -3.750 -35.804
   71    H6   A2G  10           H6       A2G  10 -17.527  -4.964 -35.444
   72    H8   A2G  10           H8       A2G  10 -21.495   2.515 -35.479
   73    H8A  A2G  10           H8A      A2G  10 -21.337   3.153 -37.116
   74    H8B  A2G  10           H8B      A2G  10 -20.268   3.730 -35.837
   75    H14  A2G  10           H14      A2G  10 -18.285  -5.381 -36.980
   76    H15  A2G  10           H15      A2G  10 -16.876  -4.011 -38.028
   77    H1   A2G  11           H1       A2G  11 -17.833   1.113 -28.226
   78    H2   A2G  11           H2       A2G  11 -16.435  -0.818 -27.628
   79    HN2  A2G  11           HN2      A2G  11 -17.284  -0.850 -30.464
   80    H3   A2G  11           H3       A2G  11 -18.608  -2.481 -28.928
   81    HO3  A2G  11           HO3      A2G  11 -16.965  -3.904 -27.486
   82    H4   A2G  11           H4       A2G  11 -19.085  -3.312 -26.694
   83    HO4  A2G  11           HO4      A2G  11 -17.319  -1.394 -25.638
   84    H5   A2G  11           H5       A2G  11 -20.291  -1.283 -27.370
   85    H6   A2G  11           H6       A2G  11 -20.720  -2.103 -25.104
   86    H8   A2G  11           H8       A2G  11 -15.784  -0.422 -31.977
   87    H8A  A2G  11           H8A      A2G  11 -14.400  -1.461 -31.635
   88    H8B  A2G  11           H8B      A2G  11 -14.261   0.286 -31.443
   89    H14  A2G  11           H14      A2G  11 -19.323  -1.217 -24.493
   90    H15  A2G  11           H15      A2G  11 -21.208  -0.036 -24.138
  Start of MODEL    5
    1    H1   ACE   1           H1       ACE   1 -22.683  -8.755 -34.802
    2    H2   ACE   1           H2       ACE   1 -22.615  -9.045 -36.541
    3    H3   ACE   1           H3       ACE   1 -23.727  -9.974 -35.535
    4    HA   PRO   2           HA       PRO   2 -27.157  -7.290 -35.963
    5    HB2  PRO   2           HB2      PRO   2 -27.201  -6.178 -33.306
    6    HB3  PRO   2           HB3      PRO   2 -28.228  -7.454 -33.975
    7    HG2  PRO   2           HG2      PRO   2 -25.883  -7.666 -32.248
    8    HG3  PRO   2           HG3      PRO   2 -27.162  -8.845 -32.567
    9    HD2  PRO   2           HD2      PRO   2 -24.601  -9.129 -33.495
   10    HD3  PRO   2           HD3      PRO   2 -26.017  -9.811 -34.327
   11    H    THR   3           H        THR   3 -25.144  -5.549 -33.581
   12    HA   THR   3           HA       THR   3 -24.597  -3.440 -35.528
   13    HB   THR   3           HB       THR   3 -25.340  -1.982 -33.282
   14    HG1  THR   3           HG1      THR   3 -27.349  -2.749 -32.747
   15   HG21  THR   3          HG21      THR   3 -25.709  -1.251 -35.551
   16   HG22  THR   3          HG22      THR   3 -27.279  -1.317 -34.751
   17   HG23  THR   3          HG23      THR   3 -26.800  -2.601 -35.861
   18    H    THR   4           H        THR   4 -23.135  -1.746 -34.534
   19    HA   THR   4           HA       THR   4 -21.490  -2.817 -32.341
   20    HB   THR   4           HB       THR   4 -19.432  -2.294 -33.619
   21   HG21  THR   4          HG21      THR   4 -21.045  -4.092 -35.394
   22   HG22  THR   4          HG22      THR   4 -20.796  -4.559 -33.712
   23   HG23  THR   4          HG23      THR   4 -19.409  -4.312 -34.773
   24    H    THR   5           H        THR   5 -19.770  -1.110 -31.734
   25    HA   THR   5           HA       THR   5 -21.182   1.448 -31.464
   26    HB   THR   5           HB       THR   5 -19.260   1.866 -29.792
   27   HG21  THR   5          HG21      THR   5 -21.683   0.292 -29.618
   28   HG22  THR   5          HG22      THR   5 -20.989   1.392 -28.428
   29   HG23  THR   5          HG23      THR   5 -20.484  -0.296 -28.467
   30    HA   PRO   6           HA       PRO   6 -18.898   3.816 -34.331
   31    HB2  PRO   6           HB2      PRO   6 -17.974   5.763 -32.419
   32    HB3  PRO   6           HB3      PRO   6 -19.304   5.912 -33.578
   33    HG2  PRO   6           HG2      PRO   6 -19.385   5.324 -30.719
   34    HG3  PRO   6           HG3      PRO   6 -20.668   5.905 -31.791
   35    HD2  PRO   6           HD2      PRO   6 -20.622   3.372 -30.748
   36    HD3  PRO   6           HD3      PRO   6 -21.390   3.771 -32.302
   37    H    LEU   7           H        LEU   7 -17.325   1.964 -34.354
   38    HA   LEU   7           HA       LEU   7 -15.241   0.996 -33.795
   39    HB2  LEU   7           HB2      LEU   7 -15.073   2.370 -35.889
   40    HB3  LEU   7           HB3      LEU   7 -14.461   3.699 -34.905
   41    HG   LEU   7           HG       LEU   7 -12.634   2.192 -34.094
   42   HD11  LEU   7          HD11      LEU   7 -12.413   0.200 -35.916
   43   HD12  LEU   7          HD12      LEU   7 -14.170   0.297 -35.790
   44   HD13  LEU   7          HD13      LEU   7 -13.198  -0.013 -34.352
   45   HD21  LEU   7          HD21      LEU   7 -12.992   2.869 -37.004
   46   HD22  LEU   7          HD22      LEU   7 -11.542   2.014 -36.477
   47   HD23  LEU   7          HD23      LEU   7 -11.915   3.606 -35.817
   48    H    LYS   8           H        LYS   8 -15.528   1.135 -31.429
   49    HA   LYS   8           HA       LYS   8 -14.920   1.825 -29.307
   50    HB2  LYS   8           HB2      LYS   8 -12.877   0.722 -30.049
   51    HB3  LYS   8           HB3      LYS   8 -12.330   2.207 -30.828
   52    HG2  LYS   8           HG2      LYS   8 -11.925   3.285 -28.795
   53    HG3  LYS   8           HG3      LYS   8 -13.036   2.240 -27.908
   54    HD2  LYS   8           HD2      LYS   8 -11.483   0.342 -28.198
   55    HD3  LYS   8           HD3      LYS   8 -10.370   1.389 -29.078
   56    HE2  LYS   8           HE2      LYS   8 -10.871   2.815 -26.752
   57    HE3  LYS   8           HE3      LYS   8 -10.802   1.143 -26.192
   58    HZ1  LYS   8           HZ1      LYS   8  -8.742   2.613 -27.738
   59    HZ2  LYS   8           HZ2      LYS   8  -8.697   0.934 -27.480
   60    HZ3  LYS   8           HZ3      LYS   8  -8.608   2.001 -26.162
   61    HN1  NH2   9           HN1      NH2   9 -12.644   4.712 -29.677
   62    HN2  NH2   9           HN2      NH2   9 -13.340   4.879 -31.217
   63    H1   A2G  10           H1       A2G  10 -19.034  -0.400 -34.638
   64    H2   A2G  10           H2       A2G  10 -18.734   0.657 -36.836
   65    HN2  A2G  10           HN2      A2G  10 -21.598   0.521 -36.096
   66    H3   A2G  10           H3       A2G  10 -20.879  -1.265 -37.777
   67    HO3  A2G  10           HO3      A2G  10 -19.539  -0.095 -39.720
   68    H4   A2G  10           H4       A2G  10 -19.127  -2.330 -39.083
   69    HO4  A2G  10           HO4      A2G  10 -17.918  -0.222 -39.112
   70    H5   A2G  10           H5       A2G  10 -19.430  -3.173 -36.797
   71    H6   A2G  10           H6       A2G  10 -17.327  -4.282 -36.562
   72    H8   A2G  10           H8       A2G  10 -22.287   2.455 -34.913
   73    H8A  A2G  10           H8A      A2G  10 -22.440   3.189 -36.509
   74    H8B  A2G  10           H8B      A2G  10 -21.450   3.965 -35.273
   75    H14  A2G  10           H14      A2G  10 -17.498  -3.965 -38.288
   76    H15  A2G  10           H15      A2G  10 -15.434  -3.373 -37.393
   77    H1   A2G  11           H1       A2G  11 -17.252   1.106 -30.841
   78    H2   A2G  11           H2       A2G  11 -15.370  -0.302 -30.124
   79    HN2  A2G  11           HN2      A2G  11 -17.506  -1.836 -31.484
   80    H3   A2G  11           H3       A2G  11 -17.492  -2.079 -28.889
   81    HO3  A2G  11           HO3      A2G  11 -14.681  -2.201 -28.643
   82    H4   A2G  11           H4       A2G  11 -16.590  -1.391 -26.740
   83    HO4  A2G  11           HO4      A2G  11 -14.452  -0.965 -27.812
   84    H5   A2G  11           H5       A2G  11 -18.370   0.025 -27.664
   85    H6   A2G  11           H6       A2G  11 -17.550   0.787 -25.543
   86    H8   A2G  11           H8       A2G  11 -17.116  -2.421 -33.571
   87    H8A  A2G  11           H8A      A2G  11 -15.685  -3.437 -33.404
   88    H8B  A2G  11           H8B      A2G  11 -15.600  -1.940 -34.333
   89    H14  A2G  11           H14      A2G  11 -16.102   1.477 -26.278
   90    H15  A2G  11           H15      A2G  11 -18.571   2.362 -27.207
  Start of MODEL    6
    1    H1   ACE   1           H1       ACE   1 -27.263  -7.756 -39.224
    2    H2   ACE   1           H2       ACE   1 -27.075  -6.081 -39.743
    3    H3   ACE   1           H3       ACE   1 -28.495  -6.563 -38.814
    4    HA   PRO   2           HA       PRO   2 -24.867  -7.273 -35.593
    5    HB2  PRO   2           HB2      PRO   2 -22.578  -5.947 -36.731
    6    HB3  PRO   2           HB3      PRO   2 -22.747  -7.652 -36.288
    7    HG2  PRO   2           HG2      PRO   2 -22.929  -6.384 -38.912
    8    HG3  PRO   2           HG3      PRO   2 -22.656  -8.082 -38.493
    9    HD2  PRO   2           HD2      PRO   2 -24.994  -7.169 -39.590
   10    HD3  PRO   2           HD3      PRO   2 -24.909  -8.590 -38.525
   11    H    THR   3           H        THR   3 -23.972  -5.678 -34.081
   12    HA   THR   3           HA       THR   3 -24.342  -2.862 -34.767
   13    HB   THR   3           HB       THR   3 -26.533  -3.219 -34.009
   14    HG1  THR   3           HG1      THR   3 -24.801  -2.404 -31.950
   15   HG21  THR   3          HG21      THR   3 -26.300  -5.522 -33.279
   16   HG22  THR   3          HG22      THR   3 -27.018  -4.586 -31.966
   17   HG23  THR   3          HG23      THR   3 -25.311  -5.024 -31.905
   18    H    THR   4           H        THR   4 -22.811  -1.654 -33.833
   19    HA   THR   4           HA       THR   4 -21.572  -2.588 -31.331
   20    HB   THR   4           HB       THR   4 -19.389  -1.617 -32.594
   21   HG21  THR   4          HG21      THR   4 -19.547  -3.786 -31.450
   22   HG22  THR   4          HG22      THR   4 -18.792  -3.984 -33.030
   23   HG23  THR   4          HG23      THR   4 -20.478  -4.440 -32.796
   24    H    THR   5           H        THR   5 -19.628  -0.652 -31.105
   25    HA   THR   5           HA       THR   5 -21.275   1.730 -30.650
   26    HB   THR   5           HB       THR   5 -18.727   2.218 -29.634
   27   HG21  THR   5          HG21      THR   5 -19.882   1.574 -27.437
   28   HG22  THR   5          HG22      THR   5 -21.278   1.143 -28.424
   29   HG23  THR   5          HG23      THR   5 -20.687   2.804 -28.411
   30    HA   PRO   6           HA       PRO   6 -19.392   4.104 -33.810
   31    HB2  PRO   6           HB2      PRO   6 -19.114   6.508 -32.244
   32    HB3  PRO   6           HB3      PRO   6 -20.396   6.090 -33.391
   33    HG2  PRO   6           HG2      PRO   6 -20.701   6.322 -30.656
   34    HG3  PRO   6           HG3      PRO   6 -21.808   5.482 -31.750
   35    HD2  PRO   6           HD2      PRO   6 -19.768   4.343 -29.898
   36    HD3  PRO   6           HD3      PRO   6 -21.309   3.649 -30.449
   37    H    LEU   7           H        LEU   7 -17.547   2.804 -31.694
   38    HA   LEU   7           HA       LEU   7 -15.294   4.532 -31.403
   39    HB2  LEU   7           HB2      LEU   7 -16.014   1.805 -30.690
   40    HB3  LEU   7           HB3      LEU   7 -14.343   1.918 -31.245
   41    HG   LEU   7           HG       LEU   7 -14.037   3.866 -29.675
   42   HD11  LEU   7          HD11      LEU   7 -16.854   3.623 -29.493
   43   HD12  LEU   7          HD12      LEU   7 -15.817   4.747 -28.616
   44   HD13  LEU   7          HD13      LEU   7 -16.210   3.179 -27.912
   45   HD21  LEU   7          HD21      LEU   7 -13.631   2.479 -27.793
   46   HD22  LEU   7          HD22      LEU   7 -13.519   1.384 -29.172
   47   HD23  LEU   7          HD23      LEU   7 -14.981   1.413 -28.186
   48    H    LYS   8           H        LYS   8 -13.133   4.019 -32.331
   49    HA   LYS   8           HA       LYS   8 -13.332   3.855 -35.209
   50    HB2  LYS   8           HB2      LYS   8 -11.068   4.531 -35.247
   51    HB3  LYS   8           HB3      LYS   8 -11.759   5.375 -33.861
   52    HG2  LYS   8           HG2      LYS   8 -10.991   3.253 -32.525
   53    HG3  LYS   8           HG3      LYS   8  -9.915   3.001 -33.900
   54    HD2  LYS   8           HD2      LYS   8  -9.302   5.521 -33.554
   55    HD3  LYS   8           HD3      LYS   8  -9.970   5.282 -31.940
   56    HE2  LYS   8           HE2      LYS   8  -7.628   4.814 -31.766
   57    HE3  LYS   8           HE3      LYS   8  -8.446   3.251 -31.741
   58    HZ1  LYS   8           HZ1      LYS   8  -6.550   3.252 -33.246
   59    HZ2  LYS   8           HZ2      LYS   8  -7.238   4.525 -34.137
   60    HZ3  LYS   8           HZ3      LYS   8  -7.999   3.007 -34.093
   61    HN1  NH2   9           HN1      NH2   9 -11.753   0.786 -33.168
   62    HN2  NH2   9           HN2      NH2   9 -13.430   1.035 -33.262
   63    H1   A2G  10           H1       A2G  10 -18.458  -1.442 -34.411
   64    H2   A2G  10           H2       A2G  10 -18.507  -1.204 -36.856
   65    HN2  A2G  10           HN2      A2G  10 -20.968  -0.092 -35.643
   66    H3   A2G  10           H3       A2G  10 -21.285  -2.399 -36.668
   67    HO3  A2G  10           HO3      A2G  10 -21.352  -1.231 -38.432
   68    H4   A2G  10           H4       A2G  10 -20.355  -4.336 -37.803
   69    HO4  A2G  10           HO4      A2G  10 -17.778  -3.980 -37.615
   70    H5   A2G  10           H5       A2G  10 -20.224  -4.358 -35.352
   71    H6   A2G  10           H6       A2G  10 -18.718  -6.132 -35.178
   72    H8   A2G  10           H8       A2G  10 -20.874   2.147 -35.189
   73    H8A  A2G  10           H8A      A2G  10 -20.953   2.569 -36.900
   74    H8B  A2G  10           H8B      A2G  10 -19.597   3.122 -35.917
   75    H14  A2G  10           H14      A2G  10 -18.980  -6.084 -36.921
   76    H15  A2G  10           H15      A2G  10 -16.920  -5.790 -37.052
   77    H1   A2G  11           H1       A2G  11 -17.161   1.248 -28.829
   78    H2   A2G  11           H2       A2G  11 -15.812  -0.760 -28.395
   79    HN2  A2G  11           HN2      A2G  11 -17.214  -0.916 -30.999
   80    H3   A2G  11           H3       A2G  11 -18.317  -2.299 -29.131
   81    HO3  A2G  11           HO3      A2G  11 -16.888  -4.013 -28.294
   82    H4   A2G  11           H4       A2G  11 -18.392  -2.977 -26.799
   83    HO4  A2G  11           HO4      A2G  11 -16.000  -2.681 -26.645
   84    H5   A2G  11           H5       A2G  11 -19.561  -0.890 -27.352
   85    H6   A2G  11           H6       A2G  11 -18.994  -1.725 -24.864
   86    H8   A2G  11           H8       A2G  11 -15.930  -1.182 -32.805
   87    H8A  A2G  11           H8A      A2G  11 -14.177  -1.249 -32.628
   88    H8B  A2G  11           H8B      A2G  11 -14.999   0.310 -32.676
   89    H14  A2G  11           H14      A2G  11 -18.177  -0.163 -24.807
   90    H15  A2G  11           H15      A2G  11 -20.213   0.303 -24.243
  Start of MODEL    7
    1    H1   ACE   1           H1       ACE   1 -22.725  -9.601 -34.003
    2    H2   ACE   1           H2       ACE   1 -22.810  -8.344 -32.770
    3    H3   ACE   1           H3       ACE   1 -21.361  -8.510 -33.761
    4    HA   PRO   2           HA       PRO   2 -24.728  -7.223 -37.082
    5    HB2  PRO   2           HB2      PRO   2 -26.995  -6.322 -35.552
    6    HB3  PRO   2           HB3      PRO   2 -26.927  -7.635 -36.737
    7    HG2  PRO   2           HG2      PRO   2 -26.879  -7.757 -33.820
    8    HG3  PRO   2           HG3      PRO   2 -27.251  -9.023 -34.998
    9    HD2  PRO   2           HD2      PRO   2 -24.956  -8.998 -33.504
   10    HD3  PRO   2           HD3      PRO   2 -25.058  -9.743 -35.116
   11    H    THR   3           H        THR   3 -25.610  -5.492 -34.084
   12    HA   THR   3           HA       THR   3 -24.835  -2.960 -35.328
   13    HB   THR   3           HB       THR   3 -25.826  -1.981 -33.233
   14    HG1  THR   3           HG1      THR   3 -27.227  -3.858 -32.291
   15   HG21  THR   3          HG21      THR   3 -27.169  -3.494 -35.341
   16   HG22  THR   3          HG22      THR   3 -27.549  -1.900 -34.689
   17   HG23  THR   3          HG23      THR   3 -28.154  -3.348 -33.886
   18    H    THR   4           H        THR   4 -23.256  -1.591 -34.525
   19    HA   THR   4           HA       THR   4 -21.590  -2.580 -32.308
   20    HB   THR   4           HB       THR   4 -19.543  -2.146 -33.594
   21   HG21  THR   4          HG21      THR   4 -21.195  -3.866 -35.410
   22   HG22  THR   4          HG22      THR   4 -20.982  -4.364 -33.733
   23   HG23  THR   4          HG23      THR   4 -19.575  -4.148 -34.774
   24    H    THR   5           H        THR   5 -19.982  -0.878 -31.625
   25    HA   THR   5           HA       THR   5 -21.355   1.714 -31.564
   26    HB   THR   5           HB       THR   5 -19.319   2.040 -29.837
   27   HG21  THR   5          HG21      THR   5 -21.810   0.418 -29.238
   28   HG22  THR   5          HG22      THR   5 -21.762   2.177 -29.357
   29   HG23  THR   5          HG23      THR   5 -20.870   1.355 -28.076
   30    HA   PRO   6           HA       PRO   6 -18.788   4.007 -34.242
   31    HB2  PRO   6           HB2      PRO   6 -17.821   5.867 -32.267
   32    HB3  PRO   6           HB3      PRO   6 -19.089   6.116 -33.476
   33    HG2  PRO   6           HG2      PRO   6 -19.326   5.501 -30.631
   34    HG3  PRO   6           HG3      PRO   6 -20.524   6.176 -31.745
   35    HD2  PRO   6           HD2      PRO   6 -20.681   3.633 -30.738
   36    HD3  PRO   6           HD3      PRO   6 -21.359   4.098 -32.315
   37    H    LEU   7           H        LEU   7 -17.116   2.588 -34.721
   38    HA   LEU   7           HA       LEU   7 -15.121   1.399 -34.346
   39    HB2  LEU   7           HB2      LEU   7 -14.769   3.720 -35.504
   40    HB3  LEU   7           HB3      LEU   7 -13.987   4.153 -33.984
   41    HG   LEU   7           HG       LEU   7 -12.802   1.777 -34.388
   42   HD11  LEU   7          HD11      LEU   7 -14.126   1.511 -36.538
   43   HD12  LEU   7          HD12      LEU   7 -12.378   1.364 -36.719
   44   HD13  LEU   7          HD13      LEU   7 -13.191   2.856 -37.190
   45   HD21  LEU   7          HD21      LEU   7 -11.537   3.786 -34.038
   46   HD22  LEU   7          HD22      LEU   7 -12.080   4.470 -35.570
   47   HD23  LEU   7          HD23      LEU   7 -10.966   3.103 -35.560
   48    H    LYS   8           H        LYS   8 -12.893   2.886 -32.917
   49    HA   LYS   8           HA       LYS   8 -13.303   1.636 -30.343
   50    HB2  LYS   8           HB2      LYS   8 -11.012   3.311 -31.400
   51    HB3  LYS   8           HB3      LYS   8 -11.003   2.417 -29.879
   52    HG2  LYS   8           HG2      LYS   8 -11.499   0.325 -31.211
   53    HG3  LYS   8           HG3      LYS   8 -11.226   1.273 -32.673
   54    HD2  LYS   8           HD2      LYS   8  -9.223   0.848 -30.436
   55    HD3  LYS   8           HD3      LYS   8  -9.168   0.093 -32.030
   56    HE2  LYS   8           HE2      LYS   8  -9.285   2.596 -32.873
   57    HE3  LYS   8           HE3      LYS   8  -8.649   2.945 -31.265
   58    HZ1  LYS   8           HZ1      LYS   8  -6.711   2.580 -32.348
   59    HZ2  LYS   8           HZ2      LYS   8  -7.403   1.537 -33.497
   60    HZ3  LYS   8           HZ3      LYS   8  -7.051   0.970 -31.935
   61    HN1  NH2   9           HN1      NH2   9 -11.706   3.890 -28.911
   62    HN2  NH2   9           HN2      NH2   9 -12.532   5.349 -29.176
   63    H1   A2G  10           H1       A2G  10 -19.085  -0.247 -34.576
   64    H2   A2G  10           H2       A2G  10 -18.735   0.839 -36.754
   65    HN2  A2G  10           HN2      A2G  10 -21.602   0.766 -36.010
   66    H3   A2G  10           H3       A2G  10 -20.925  -1.007 -37.746
   67    HO3  A2G  10           HO3      A2G  10 -19.780   0.028 -39.742
   68    H4   A2G  10           H4       A2G  10 -19.192  -2.098 -39.054
   69    HO4  A2G  10           HO4      A2G  10 -17.190  -0.686 -37.718
   70    H5   A2G  10           H5       A2G  10 -19.538  -2.971 -36.787
   71    H6   A2G  10           H6       A2G  10 -17.525  -4.193 -36.611
   72    H8   A2G  10           H8       A2G  10 -22.341   2.687 -34.982
   73    H8A  A2G  10           H8A      A2G  10 -22.327   3.547 -36.522
   74    H8B  A2G  10           H8B      A2G  10 -21.400   4.169 -35.156
   75    H14  A2G  10           H14      A2G  10 -17.564  -3.717 -38.309
   76    H15  A2G  10           H15      A2G  10 -15.939  -2.835 -36.238
   77    H1   A2G  11           H1       A2G  11 -17.688   1.030 -29.024
   78    H2   A2G  11           H2       A2G  11 -16.554  -0.966 -28.149
   79    HN2  A2G  11           HN2      A2G  11 -17.392  -1.403 -30.955
   80    H3   A2G  11           H3       A2G  11 -18.925  -2.494 -29.256
   81    HO3  A2G  11           HO3      A2G  11 -16.583  -3.306 -29.045
   82    H4   A2G  11           H4       A2G  11 -19.510  -2.949 -26.943
   83    HO4  A2G  11           HO4      A2G  11 -17.586  -2.942 -25.914
   84    H5   A2G  11           H5       A2G  11 -20.439  -0.889 -27.903
   85    H6   A2G  11           H6       A2G  11 -20.185  -1.458 -25.189
   86    H8   A2G  11           H8       A2G  11 -15.675  -1.971 -32.358
   87    H8A  A2G  11           H8A      A2G  11 -14.013  -1.661 -31.857
   88    H8B  A2G  11           H8B      A2G  11 -15.048  -0.323 -32.360
   89    H14  A2G  11           H14      A2G  11 -19.718   0.239 -25.300
   90    H15  A2G  11           H15      A2G  11 -21.755   0.105 -26.829
  Start of MODEL    8
    1    H1   ACE   1           H1       ACE   1 -26.926  -8.234 -32.494
    2    H2   ACE   1           H2       ACE   1 -26.444  -6.652 -31.880
    3    H3   ACE   1           H3       ACE   1 -25.259  -7.952 -31.995
    4    HA   PRO   2           HA       PRO   2 -26.372  -7.171 -36.702
    5    HB2  PRO   2           HB2      PRO   2 -27.822  -4.681 -36.735
    6    HB3  PRO   2           HB3      PRO   2 -28.362  -6.270 -37.299
    7    HG2  PRO   2           HG2      PRO   2 -28.960  -4.880 -34.801
    8    HG3  PRO   2           HG3      PRO   2 -29.807  -6.227 -35.577
    9    HD2  PRO   2           HD2      PRO   2 -28.337  -6.505 -33.281
   10    HD3  PRO   2           HD3      PRO   2 -28.572  -7.823 -34.451
   11    H    THR   3           H        THR   3 -26.534  -3.971 -35.121
   12    HA   THR   3           HA       THR   3 -24.132  -3.143 -36.567
   13    HB   THR   3           HB       THR   3 -25.567  -1.360 -34.644
   14    HG1  THR   3           HG1      THR   3 -27.250  -2.298 -35.756
   15   HG21  THR   3          HG21      THR   3 -24.746   0.328 -36.004
   16   HG22  THR   3          HG22      THR   3 -24.747  -0.691 -37.444
   17   HG23  THR   3          HG23      THR   3 -23.492  -0.893 -36.221
   18    H    THR   4           H        THR   4 -22.340  -2.144 -35.476
   19    HA   THR   4           HA       THR   4 -21.842  -3.358 -32.840
   20    HB   THR   4           HB       THR   4 -19.433  -2.391 -33.557
   21   HG21  THR   4          HG21      THR   4 -19.969  -4.740 -33.021
   22   HG22  THR   4          HG22      THR   4 -18.961  -4.636 -34.465
   23   HG23  THR   4          HG23      THR   4 -20.692  -4.937 -34.618
   24    H    THR   5           H        THR   5 -20.069  -1.889 -31.634
   25    HA   THR   5           HA       THR   5 -21.444   0.660 -31.161
   26    HB   THR   5           HB       THR   5 -20.039   0.718 -29.092
   27   HG21  THR   5          HG21      THR   5 -21.740  -0.393 -28.124
   28   HG22  THR   5          HG22      THR   5 -21.124  -1.929 -28.735
   29   HG23  THR   5          HG23      THR   5 -22.225  -0.965 -29.719
   30    HA   PRO   6           HA       PRO   6 -18.621   3.335 -33.152
   31    HB2  PRO   6           HB2      PRO   6 -18.046   4.907 -30.807
   32    HB3  PRO   6           HB3      PRO   6 -19.127   5.301 -32.151
   33    HG2  PRO   6           HG2      PRO   6 -19.762   4.272 -29.494
   34    HG3  PRO   6           HG3      PRO   6 -20.807   5.076 -30.674
   35    HD2  PRO   6           HD2      PRO   6 -21.003   2.412 -30.073
   36    HD3  PRO   6           HD3      PRO   6 -21.454   3.087 -31.655
   37    H    LEU   7           H        LEU   7 -16.582   2.807 -33.667
   38    HA   LEU   7           HA       LEU   7 -14.854   1.381 -31.906
   39    HB2  LEU   7           HB2      LEU   7 -13.182   1.649 -33.717
   40    HB3  LEU   7           HB3      LEU   7 -14.731   1.061 -34.321
   41    HG   LEU   7           HG       LEU   7 -14.815   3.917 -34.320
   42   HD11  LEU   7          HD11      LEU   7 -12.350   3.830 -34.343
   43   HD12  LEU   7          HD12      LEU   7 -12.970   4.390 -35.896
   44   HD13  LEU   7          HD13      LEU   7 -12.398   2.730 -35.721
   45   HD21  LEU   7          HD21      LEU   7 -14.568   1.929 -36.601
   46   HD22  LEU   7          HD22      LEU   7 -15.206   3.569 -36.717
   47   HD23  LEU   7          HD23      LEU   7 -16.075   2.349 -35.786
   48    H    LYS   8           H        LYS   8 -12.808   2.053 -31.083
   49    HA   LYS   8           HA       LYS   8 -11.605   3.483 -29.721
   50    HB2  LYS   8           HB2      LYS   8 -10.585   3.968 -31.864
   51    HB3  LYS   8           HB3      LYS   8 -11.871   5.109 -32.259
   52    HG2  LYS   8           HG2      LYS   8 -11.113   6.702 -30.740
   53    HG3  LYS   8           HG3      LYS   8 -10.299   5.503 -29.734
   54    HD2  LYS   8           HD2      LYS   8  -8.494   5.286 -31.257
   55    HD3  LYS   8           HD3      LYS   8  -9.385   6.086 -32.552
   56    HE2  LYS   8           HE2      LYS   8  -7.702   7.602 -31.565
   57    HE3  LYS   8           HE3      LYS   8  -9.338   8.202 -31.291
   58    HZ1  LYS   8           HZ1      LYS   8  -9.178   6.912 -29.105
   59    HZ2  LYS   8           HZ2      LYS   8  -8.332   8.381 -29.228
   60    HZ3  LYS   8           HZ3      LYS   8  -7.504   6.904 -29.378
   61    HN1  NH2   9           HN1      NH2   9 -14.155   6.076 -31.060
   62    HN2  NH2   9           HN2      NH2   9 -12.953   6.948 -30.239
   63    H1   A2G  10           H1       A2G  10 -18.368  -1.566 -35.154
   64    H2   A2G  10           H2       A2G  10 -17.985  -1.086 -37.533
   65    HN2  A2G  10           HN2      A2G  10 -20.694  -0.247 -36.681
   66    H3   A2G  10           H3       A2G  10 -20.652  -2.453 -37.983
   67    HO3  A2G  10           HO3      A2G  10 -18.854  -0.980 -39.533
   68    H4   A2G  10           H4       A2G  10 -19.384  -4.208 -39.087
   69    HO4  A2G  10           HO4      A2G  10 -17.406  -2.333 -38.863
   70    H5   A2G  10           H5       A2G  10 -19.703  -4.471 -36.668
   71    H6   A2G  10           H6       A2G  10 -18.050  -6.118 -36.313
   72    H8   A2G  10           H8       A2G  10 -20.840   1.997 -36.096
   73    H8A  A2G  10           H8A      A2G  10 -20.757   2.415 -37.808
   74    H8B  A2G  10           H8B      A2G  10 -19.593   3.102 -36.676
   75    H14  A2G  10           H14      A2G  10 -18.138  -6.008 -38.071
   76    H15  A2G  10           H15      A2G  10 -16.234  -4.848 -36.331
   77    H1   A2G  11           H1       A2G  11 -17.786   0.530 -29.661
   78    H2   A2G  11           H2       A2G  11 -15.855  -0.791 -28.909
   79    HN2  A2G  11           HN2      A2G  11 -17.319  -2.083 -31.135
   80    H3   A2G  11           H3       A2G  11 -17.800  -3.112 -28.801
   81    HO3  A2G  11           HO3      A2G  11 -15.754  -3.778 -29.322
   82    H4   A2G  11           H4       A2G  11 -17.509  -3.035 -26.389
   83    HO4  A2G  11           HO4      A2G  11 -15.851  -0.803 -26.944
   84    H5   A2G  11           H5       A2G  11 -19.302  -1.628 -27.304
   85    H6   A2G  11           H6       A2G  11 -18.390  -1.485 -24.804
   86    H8   A2G  11           H8       A2G  11 -16.155  -2.523 -32.985
   87    H8A  A2G  11           H8A      A2G  11 -14.437  -2.128 -33.051
   88    H8B  A2G  11           H8B      A2G  11 -15.641  -0.877 -33.360
   89    H14  A2G  11           H14      A2G  11 -18.015   0.170 -25.286
   90    H15  A2G  11           H15      A2G  11 -20.349  -0.075 -26.182
  Start of MODEL    9
    1    H1   ACE   1           H1       ACE   1 -27.917  -5.659 -39.383
    2    H2   ACE   1           H2       ACE   1 -29.452  -5.854 -38.535
    3    H3   ACE   1           H3       ACE   1 -28.444  -7.262 -38.871
    4    HA   PRO   2           HA       PRO   2 -26.204  -7.187 -35.113
    5    HB2  PRO   2           HB2      PRO   2 -23.647  -6.322 -36.123
    6    HB3  PRO   2           HB3      PRO   2 -24.155  -7.961 -35.686
    7    HG2  PRO   2           HG2      PRO   2 -23.954  -6.715 -38.319
    8    HG3  PRO   2           HG3      PRO   2 -24.024  -8.428 -37.881
    9    HD2  PRO   2           HD2      PRO   2 -26.087  -7.112 -39.112
   10    HD3  PRO   2           HD3      PRO   2 -26.328  -8.510 -38.039
   11    H    THR   3           H        THR   3 -24.697  -5.733 -33.731
   12    HA   THR   3           HA       THR   3 -24.860  -2.893 -34.404
   13    HB   THR   3           HB       THR   3 -25.762  -3.279 -31.678
   14    HG1  THR   3           HG1      THR   3 -26.834  -5.061 -32.295
   15   HG21  THR   3          HG21      THR   3 -27.019  -1.987 -34.116
   16   HG22  THR   3          HG22      THR   3 -25.929  -1.189 -32.982
   17   HG23  THR   3          HG23      THR   3 -27.519  -1.731 -32.444
   18    H    THR   4           H        THR   4 -23.099  -1.841 -33.716
   19    HA   THR   4           HA       THR   4 -21.580  -2.920 -31.437
   20    HB   THR   4           HB       THR   4 -19.504  -2.242 -32.945
   21   HG21  THR   4          HG21      THR   4 -19.344  -4.600 -33.649
   22   HG22  THR   4          HG22      THR   4 -21.058  -4.822 -33.296
   23   HG23  THR   4          HG23      THR   4 -19.925  -4.480 -31.988
   24    H    THR   5           H        THR   5 -19.557  -1.261 -31.205
   25    HA   THR   5           HA       THR   5 -20.846   1.348 -30.815
   26    HB   THR   5           HB       THR   5 -18.305   1.471 -29.695
   27   HG21  THR   5          HG21      THR   5 -20.190   2.328 -28.533
   28   HG22  THR   5          HG22      THR   5 -19.634   0.976 -27.547
   29   HG23  THR   5          HG23      THR   5 -21.033   0.781 -28.601
   30    HA   PRO   6           HA       PRO   6 -18.439   3.383 -33.874
   31    HB2  PRO   6           HB2      PRO   6 -17.769   5.677 -32.263
   32    HB3  PRO   6           HB3      PRO   6 -19.065   5.518 -33.459
   33    HG2  PRO   6           HG2      PRO   6 -19.417   5.781 -30.732
   34    HG3  PRO   6           HG3      PRO   6 -20.624   5.175 -31.875
   35    HD2  PRO   6           HD2      PRO   6 -18.902   3.655 -29.973
   36    HD3  PRO   6           HD3      PRO   6 -20.526   3.269 -30.586
   37    H    LEU   7           H        LEU   7 -16.393   3.250 -34.623
   38    HA   LEU   7           HA       LEU   7 -14.269   2.372 -32.938
   39    HB2  LEU   7           HB2      LEU   7 -14.510   1.801 -35.368
   40    HB3  LEU   7           HB3      LEU   7 -14.064   3.463 -35.752
   41    HG   LEU   7           HG       LEU   7 -11.945   3.133 -34.449
   42   HD11  LEU   7          HD11      LEU   7 -11.503   0.472 -34.346
   43   HD12  LEU   7          HD12      LEU   7 -13.241   0.485 -34.048
   44   HD13  LEU   7          HD13      LEU   7 -12.157   1.380 -32.983
   45   HD21  LEU   7          HD21      LEU   7 -10.915   1.565 -36.167
   46   HD22  LEU   7          HD22      LEU   7 -11.817   2.921 -36.842
   47   HD23  LEU   7          HD23      LEU   7 -12.543   1.314 -36.797
   48    H    LYS   8           H        LYS   8 -12.460   3.448 -32.206
   49    HA   LYS   8           HA       LYS   8 -12.759   6.294 -31.800
   50    HB2  LYS   8           HB2      LYS   8 -11.898   4.904 -29.990
   51    HB3  LYS   8           HB3      LYS   8 -10.551   4.382 -31.003
   52    HG2  LYS   8           HG2      LYS   8  -9.456   6.401 -30.833
   53    HG3  LYS   8           HG3      LYS   8 -10.954   7.319 -30.668
   54    HD2  LYS   8           HD2      LYS   8 -11.238   6.476 -28.375
   55    HD3  LYS   8           HD3      LYS   8  -9.760   5.526 -28.534
   56    HE2  LYS   8           HE2      LYS   8  -8.634   7.795 -29.130
   57    HE3  LYS   8           HE3      LYS   8 -10.066   8.519 -28.396
   58    HZ1  LYS   8           HZ1      LYS   8  -9.118   8.192 -26.438
   59    HZ2  LYS   8           HZ2      LYS   8  -7.824   7.342 -27.137
   60    HZ3  LYS   8           HZ3      LYS   8  -9.237   6.517 -26.680
   61    HN1  NH2   9           HN1      NH2   9 -11.781   5.122 -34.774
   62    HN2  NH2   9           HN2      NH2   9 -10.100   5.061 -34.543
   63    H1   A2G  10           H1       A2G  10 -18.905  -1.663 -34.859
   64    H2   A2G  10           H2       A2G  10 -19.179  -1.484 -37.295
   65    HN2  A2G  10           HN2      A2G  10 -21.530  -0.412 -35.848
   66    H3   A2G  10           H3       A2G  10 -21.890  -2.758 -36.833
   67    HO3  A2G  10           HO3      A2G  10 -20.892  -2.637 -39.352
   68    H4   A2G  10           H4       A2G  10 -21.003  -4.692 -38.006
   69    HO4  A2G  10           HO4      A2G  10 -18.661  -4.638 -38.406
   70    H5   A2G  10           H5       A2G  10 -20.653  -4.652 -35.576
   71    H6   A2G  10           H6       A2G  10 -19.075  -6.372 -35.499
   72    H8   A2G  10           H8       A2G  10 -21.543   1.843 -35.576
   73    H8A  A2G  10           H8A      A2G  10 -21.801   2.166 -37.290
   74    H8B  A2G  10           H8B      A2G  10 -20.389   2.833 -36.471
   75    H14  A2G  10           H14      A2G  10 -19.503  -6.380 -37.210
   76    H15  A2G  10           H15      A2G  10 -17.454  -4.692 -36.344
   77    H1   A2G  11           H1       A2G  11 -17.118   0.385 -28.463
   78    H2   A2G  11           H2       A2G  11 -15.863  -1.711 -28.190
   79    HN2  A2G  11           HN2      A2G  11 -16.834  -1.405 -30.971
   80    H3   A2G  11           H3       A2G  11 -18.226  -3.017 -29.564
   81    HO3  A2G  11           HO3      A2G  11 -16.403  -4.562 -28.274
   82    H4   A2G  11           H4       A2G  11 -18.671  -4.089 -27.429
   83    HO4  A2G  11           HO4      A2G  11 -16.711  -2.468 -26.234
   84    H5   A2G  11           H5       A2G  11 -19.729  -1.901 -27.777
   85    H6   A2G  11           H6       A2G  11 -19.521  -3.175 -25.403
   86    H8   A2G  11           H8       A2G  11 -15.275  -1.379 -32.561
   87    H8A  A2G  11           H8A      A2G  11 -13.571  -1.468 -32.114
   88    H8B  A2G  11           H8B      A2G  11 -14.415   0.080 -32.067
   89    H14  A2G  11           H14      A2G  11 -18.783  -1.633 -24.966
   90    H15  A2G  11           H15      A2G  11 -21.250  -1.836 -26.332
  Start of MODEL   10
    1    H1   ACE   1           H1       ACE   1 -30.319  -4.369 -34.349
    2    H2   ACE   1           H2       ACE   1 -30.527  -6.101 -34.606
    3    H3   ACE   1           H3       ACE   1 -30.259  -5.031 -35.982
    4    HA   PRO   2           HA       PRO   2 -26.310  -7.183 -34.166
    5    HB2  PRO   2           HB2      PRO   2 -25.723  -7.842 -36.908
    6    HB3  PRO   2           HB3      PRO   2 -26.055  -8.945 -35.564
    7    HG2  PRO   2           HG2      PRO   2 -27.818  -8.041 -37.708
    8    HG3  PRO   2           HG3      PRO   2 -27.967  -9.440 -36.637
    9    HD2  PRO   2           HD2      PRO   2 -29.589  -7.241 -36.458
   10    HD3  PRO   2           HD3      PRO   2 -29.197  -8.275 -35.066
   11    H    THR   3           H        THR   3 -25.132  -5.375 -33.727
   12    HA   THR   3           HA       THR   3 -23.764  -4.080 -35.962
   13    HB   THR   3           HB       THR   3 -25.875  -2.763 -35.462
   14    HG1  THR   3           HG1      THR   3 -24.788  -0.932 -35.807
   15   HG21  THR   3          HG21      THR   3 -25.322  -3.219 -32.872
   16   HG22  THR   3          HG22      THR   3 -26.235  -1.807 -33.406
   17   HG23  THR   3          HG23      THR   3 -24.512  -1.663 -33.055
   18    H    THR   4           H        THR   4 -22.492  -2.071 -34.641
   19    HA   THR   4           HA       THR   4 -21.227  -3.294 -32.282
   20    HB   THR   4           HB       THR   4 -19.027  -2.310 -33.438
   21   HG21  THR   4          HG21      THR   4 -20.280  -4.985 -34.127
   22   HG22  THR   4          HG22      THR   4 -19.353  -4.634 -32.668
   23   HG23  THR   4          HG23      THR   4 -18.564  -4.596 -34.245
   24    H    THR   5           H        THR   5 -19.470  -1.603 -31.473
   25    HA   THR   5           HA       THR   5 -20.935   0.918 -31.146
   26    HB   THR   5           HB       THR   5 -19.313   1.296 -29.276
   27   HG21  THR   5          HG21      THR   5 -21.554  -0.027 -29.138
   28   HG22  THR   5          HG22      THR   5 -20.420  -0.153 -27.793
   29   HG23  THR   5          HG23      THR   5 -20.520  -1.448 -28.985
   30    HA   PRO   6           HA       PRO   6 -18.513   3.458 -33.748
   31    HB2  PRO   6           HB2      PRO   6 -17.777   5.328 -31.684
   32    HB3  PRO   6           HB3      PRO   6 -19.021   5.505 -32.930
   33    HG2  PRO   6           HG2      PRO   6 -19.296   4.781 -30.116
   34    HG3  PRO   6           HG3      PRO   6 -20.510   5.386 -31.250
   35    HD2  PRO   6           HD2      PRO   6 -20.480   2.808 -30.326
   36    HD3  PRO   6           HD3      PRO   6 -21.143   3.264 -31.912
   37    H    LEU   7           H        LEU   7 -16.435   3.359 -34.424
   38    HA   LEU   7           HA       LEU   7 -14.470   1.981 -32.887
   39    HB2  LEU   7           HB2      LEU   7 -12.963   2.499 -34.773
   40    HB3  LEU   7           HB3      LEU   7 -14.509   1.864 -35.335
   41    HG   LEU   7           HG       LEU   7 -14.963   4.598 -35.179
   42   HD11  LEU   7          HD11      LEU   7 -12.529   4.955 -34.854
   43   HD12  LEU   7          HD12      LEU   7 -13.086   5.626 -36.387
   44   HD13  LEU   7          HD13      LEU   7 -12.214   4.093 -36.360
   45   HD21  LEU   7          HD21      LEU   7 -14.845   4.465 -37.679
   46   HD22  LEU   7          HD22      LEU   7 -15.754   3.135 -36.962
   47   HD23  LEU   7          HD23      LEU   7 -14.102   2.874 -37.523
   48    H    LYS   8           H        LYS   8 -12.941   2.732 -31.549
   49    HA   LYS   8           HA       LYS   8 -11.951   5.440 -31.709
   50    HB2  LYS   8           HB2      LYS   8 -12.608   5.949 -29.316
   51    HB3  LYS   8           HB3      LYS   8 -13.935   5.966 -30.479
   52    HG2  LYS   8           HG2      LYS   8 -14.761   3.880 -29.752
   53    HG3  LYS   8           HG3      LYS   8 -13.246   3.458 -28.953
   54    HD2  LYS   8           HD2      LYS   8 -13.622   5.257 -27.298
   55    HD3  LYS   8           HD3      LYS   8 -15.148   5.658 -28.088
   56    HE2  LYS   8           HE2      LYS   8 -16.088   4.169 -26.665
   57    HE3  LYS   8           HE3      LYS   8 -15.364   2.928 -27.688
   58    HZ1  LYS   8           HZ1      LYS   8 -14.346   2.325 -25.803
   59    HZ2  LYS   8           HZ2      LYS   8 -14.599   3.826 -25.049
   60    HZ3  LYS   8           HZ3      LYS   8 -13.302   3.622 -26.126
   61    HN1  NH2   9           HN1      NH2   9  -9.292   3.625 -31.026
   62    HN2  NH2   9           HN2      NH2   9 -10.539   2.619 -31.587
   63    H1   A2G  10           H1       A2G  10 -18.246  -1.563 -35.226
   64    H2   A2G  10           H2       A2G  10 -18.229  -1.251 -37.663
   65    HN2  A2G  10           HN2      A2G  10 -20.833  -0.473 -36.484
   66    H3   A2G  10           H3       A2G  10 -20.852  -2.770 -37.626
   67    HO3  A2G  10           HO3      A2G  10 -21.045  -1.983 -39.544
   68    H4   A2G  10           H4       A2G  10 -19.655  -4.544 -38.776
   69    HO4  A2G  10           HO4      A2G  10 -17.145  -3.611 -38.352
   70    H5   A2G  10           H5       A2G  10 -19.615  -4.633 -36.323
   71    H6   A2G  10           H6       A2G  10 -17.798  -6.143 -36.080
   72    H8   A2G  10           H8       A2G  10 -20.953   1.895 -36.049
   73    H8A  A2G  10           H8A      A2G  10 -21.313   1.939 -37.775
   74    H8B  A2G  10           H8B      A2G  10 -20.007   2.928 -37.122
   75    H14  A2G  10           H14      A2G  10 -18.209  -6.227 -37.793
   76    H15  A2G  10           H15      A2G  10 -16.396  -5.270 -38.295
   77    H1   A2G  11           H1       A2G  11 -17.138   1.154 -30.016
   78    H2   A2G  11           H2       A2G  11 -15.059   0.003 -29.393
   79    HN2  A2G  11           HN2      A2G  11 -16.673  -1.565 -31.318
   80    H3   A2G  11           H3       A2G  11 -16.835  -2.399 -28.877
   81    HO3  A2G  11           HO3      A2G  11 -14.207  -2.253 -28.035
   82    H4   A2G  11           H4       A2G  11 -16.283  -2.102 -26.529
   83    HO4  A2G  11           HO4      A2G  11 -14.876  -0.614 -25.865
   84    H5   A2G  11           H5       A2G  11 -18.248  -0.872 -27.337
   85    H6   A2G  11           H6       A2G  11 -17.066  -0.467 -24.979
   86    H8   A2G  11           H8       A2G  11 -15.656  -2.172 -33.198
   87    H8A  A2G  11           H8A      A2G  11 -13.984  -1.689 -33.479
   88    H8B  A2G  11           H8B      A2G  11 -15.298  -0.576 -33.857
   89    H14  A2G  11           H14      A2G  11 -16.860   1.158 -25.630
   90    H15  A2G  11           H15      A2G  11 -18.829   1.381 -24.920
  Start of MODEL   11
    1    H1   ACE   1           H1       ACE   1 -21.888  -8.848 -34.998
    2    H2   ACE   1           H2       ACE   1 -22.768  -7.942 -33.767
    3    H3   ACE   1           H3       ACE   1 -21.010  -7.832 -33.856
    4    HA   PRO   2           HA       PRO   2 -22.381  -5.805 -38.103
    5    HB2  PRO   2           HB2      PRO   2 -25.212  -5.344 -37.842
    6    HB3  PRO   2           HB3      PRO   2 -24.369  -6.319 -39.055
    7    HG2  PRO   2           HG2      PRO   2 -25.785  -7.164 -36.646
    8    HG3  PRO   2           HG3      PRO   2 -25.326  -8.102 -38.075
    9    HD2  PRO   2           HD2      PRO   2 -24.130  -8.418 -35.631
   10    HD3  PRO   2           HD3      PRO   2 -23.298  -8.740 -37.170
   11    H    THR   3           H        THR   3 -24.513  -5.054 -35.338
   12    HA   THR   3           HA       THR   3 -23.981  -2.196 -35.663
   13    HB   THR   3           HB       THR   3 -26.252  -2.605 -35.191
   14    HG1  THR   3           HG1      THR   3 -25.713  -1.006 -33.842
   15   HG21  THR   3          HG21      THR   3 -26.424  -4.829 -34.543
   16   HG22  THR   3          HG22      THR   3 -26.741  -4.013 -33.013
   17   HG23  THR   3          HG23      THR   3 -25.143  -4.684 -33.340
   18    H    THR   4           H        THR   4 -22.662  -1.029 -34.385
   19    HA   THR   4           HA       THR   4 -21.644  -2.236 -31.901
   20    HB   THR   4           HB       THR   4 -19.379  -1.078 -32.756
   21   HG21  THR   4          HG21      THR   4 -18.658  -3.322 -33.486
   22   HG22  THR   4          HG22      THR   4 -20.343  -3.832 -33.583
   23   HG23  THR   4          HG23      THR   4 -19.635  -3.421 -32.021
   24    H    THR   5           H        THR   5 -20.120  -0.473 -30.831
   25    HA   THR   5           HA       THR   5 -21.765   1.952 -30.659
   26    HB   THR   5           HB       THR   5 -19.965   2.251 -28.676
   27   HG21  THR   5          HG21      THR   5 -21.644   1.348 -27.196
   28   HG22  THR   5          HG22      THR   5 -22.311   0.346 -28.485
   29   HG23  THR   5          HG23      THR   5 -22.484   2.100 -28.552
   30    HA   PRO   6           HA       PRO   6 -19.181   4.763 -32.763
   31    HB2  PRO   6           HB2      PRO   6 -18.662   6.484 -30.511
   32    HB3  PRO   6           HB3      PRO   6 -19.803   6.734 -31.841
   33    HG2  PRO   6           HG2      PRO   6 -20.294   5.792 -29.122
   34    HG3  PRO   6           HG3      PRO   6 -21.424   6.461 -30.307
   35    HD2  PRO   6           HD2      PRO   6 -21.408   3.820 -29.577
   36    HD3  PRO   6           HD3      PRO   6 -21.950   4.385 -31.174
   37    H    LEU   7           H        LEU   7 -17.512   3.024 -32.800
   38    HA   LEU   7           HA       LEU   7 -14.999   4.004 -31.904
   39    HB2  LEU   7           HB2      LEU   7 -16.290   2.707 -29.886
   40    HB3  LEU   7           HB3      LEU   7 -15.412   1.372 -30.636
   41    HG   LEU   7           HG       LEU   7 -13.399   3.072 -30.615
   42   HD11  LEU   7          HD11      LEU   7 -15.174   4.101 -28.378
   43   HD12  LEU   7          HD12      LEU   7 -14.735   4.990 -29.837
   44   HD13  LEU   7          HD13      LEU   7 -13.497   4.575 -28.650
   45   HD21  LEU   7          HD21      LEU   7 -14.525   1.366 -28.426
   46   HD22  LEU   7          HD22      LEU   7 -13.112   2.357 -28.066
   47   HD23  LEU   7          HD23      LEU   7 -13.041   1.156 -29.356
   48    H    LYS   8           H        LYS   8 -13.226   2.380 -32.376
   49    HA   LYS   8           HA       LYS   8 -13.879   0.180 -34.130
   50    HB2  LYS   8           HB2      LYS   8 -14.020   2.376 -35.511
   51    HB3  LYS   8           HB3      LYS   8 -12.261   2.381 -35.384
   52    HG2  LYS   8           HG2      LYS   8 -12.180   0.112 -36.350
   53    HG3  LYS   8           HG3      LYS   8 -13.940   0.102 -36.477
   54    HD2  LYS   8           HD2      LYS   8 -13.960   1.694 -38.181
   55    HD3  LYS   8           HD3      LYS   8 -12.384   2.345 -37.731
   56    HE2  LYS   8           HE2      LYS   8 -12.530   0.863 -39.861
   57    HE3  LYS   8           HE3      LYS   8 -11.223   0.550 -38.720
   58    HZ1  LYS   8           HZ1      LYS   8 -13.622  -1.023 -39.278
   59    HZ2  LYS   8           HZ2      LYS   8 -13.042  -1.018 -37.682
   60    HZ3  LYS   8           HZ3      LYS   8 -12.040  -1.541 -38.952
   61    HN1  NH2   9           HN1      NH2   9 -10.651   0.913 -32.043
   62    HN2  NH2   9           HN2      NH2   9 -11.108   2.295 -32.918
   63    H1   A2G  10           H1       A2G  10 -18.432  -0.272 -34.434
   64    H2   A2G  10           H2       A2G  10 -18.128   0.049 -36.852
   65    HN2  A2G  10           HN2      A2G  10 -20.892   0.647 -35.971
   66    H3   A2G  10           H3       A2G  10 -20.620  -1.649 -37.140
   67    HO3  A2G  10           HO3      A2G  10 -19.414  -1.408 -39.394
   68    H4   A2G  10           H4       A2G  10 -19.166  -3.332 -38.120
   69    HO4  A2G  10           HO4      A2G  10 -16.883  -1.925 -37.362
   70    H5   A2G  10           H5       A2G  10 -19.432  -3.427 -35.682
   71    H6   A2G  10           H6       A2G  10 -17.187  -4.493 -35.123
   72    H8   A2G  10           H8       A2G  10 -20.909   3.184 -35.409
   73    H8A  A2G  10           H8A      A2G  10 -21.583   2.894 -37.013
   74    H8B  A2G  10           H8B      A2G  10 -20.290   4.074 -36.801
   75    H14  A2G  10           H14      A2G  10 -17.974  -5.121 -36.570
   76    H15  A2G  10           H15      A2G  10 -15.650  -4.488 -36.678
   77    H1   A2G  11           H1       A2G  11 -18.087   1.336 -28.489
   78    H2   A2G  11           H2       A2G  11 -16.724  -0.570 -27.748
   79    HN2  A2G  11           HN2      A2G  11 -18.122  -1.100 -30.305
   80    H3   A2G  11           H3       A2G  11 -19.216  -2.223 -28.238
   81    HO3  A2G  11           HO3      A2G  11 -17.723  -3.679 -28.411
   82    H4   A2G  11           H4       A2G  11 -19.291  -2.531 -25.828
   83    HO4  A2G  11           HO4      A2G  11 -17.112  -0.725 -25.715
   84    H5   A2G  11           H5       A2G  11 -20.473  -0.563 -26.700
   85    H6   A2G  11           H6       A2G  11 -20.277  -0.959 -24.202
   86    H8   A2G  11           H8       A2G  11 -16.936  -1.471 -32.069
   87    H8A  A2G  11           H8A      A2G  11 -15.326  -2.127 -31.770
   88    H8B  A2G  11           H8B      A2G  11 -15.528  -0.410 -32.117
   89    H14  A2G  11           H14      A2G  11 -18.963   0.219 -24.190
   90    H15  A2G  11           H15      A2G  11 -21.663   0.621 -24.934
  Start of MODEL   12
    1    H1   ACE   1           H1       ACE   1 -29.662  -5.118 -38.008
    2    H2   ACE   1           H2       ACE   1 -29.958  -6.666 -37.216
    3    H3   ACE   1           H3       ACE   1 -28.646  -6.510 -38.385
    4    HA   PRO   2           HA       PRO   2 -27.419  -5.936 -33.727
    5    HB2  PRO   2           HB2      PRO   2 -25.281  -7.771 -34.332
    6    HB3  PRO   2           HB3      PRO   2 -26.624  -7.988 -33.199
    7    HG2  PRO   2           HG2      PRO   2 -26.290  -9.023 -35.909
    8    HG3  PRO   2           HG3      PRO   2 -27.373  -9.563 -34.618
    9    HD2  PRO   2           HD2      PRO   2 -28.254  -8.271 -36.867
   10    HD3  PRO   2           HD3      PRO   2 -29.094  -8.182 -35.302
   11    H    THR   3           H        THR   3 -26.591  -3.891 -33.976
   12    HA   THR   3           HA       THR   3 -24.314  -3.445 -35.756
   13    HB   THR   3           HB       THR   3 -25.998  -1.741 -35.840
   14    HG1  THR   3           HG1      THR   3 -24.549  -0.239 -35.760
   15   HG21  THR   3          HG21      THR   3 -25.751  -1.782 -32.829
   16   HG22  THR   3          HG22      THR   3 -27.190  -2.079 -33.803
   17   HG23  THR   3          HG23      THR   3 -26.518  -0.452 -33.696
   18    H    THR   4           H        THR   4 -22.402  -2.308 -34.961
   19    HA   THR   4           HA       THR   4 -21.648  -3.278 -32.285
   20    HB   THR   4           HB       THR   4 -19.310  -2.462 -33.305
   21   HG21  THR   4          HG21      THR   4 -20.733  -5.023 -34.088
   22   HG22  THR   4          HG22      THR   4 -19.865  -4.756 -32.576
   23   HG23  THR   4          HG23      THR   4 -18.987  -4.772 -34.106
   24    H    THR   5           H        THR   5 -19.655  -1.697 -31.530
   25    HA   THR   5           HA       THR   5 -20.994   0.869 -31.056
   26    HB   THR   5           HB       THR   5 -19.186   1.129 -29.307
   27   HG21  THR   5          HG21      THR   5 -20.234  -0.400 -27.759
   28   HG22  THR   5          HG22      THR   5 -20.783  -1.436 -29.077
   29   HG23  THR   5          HG23      THR   5 -21.482   0.170 -28.867
   30    HA   PRO   6           HA       PRO   6 -18.641   3.390 -33.735
   31    HB2  PRO   6           HB2      PRO   6 -17.684   5.162 -31.675
   32    HB3  PRO   6           HB3      PRO   6 -19.002   5.431 -32.825
   33    HG2  PRO   6           HG2      PRO   6 -19.116   4.629 -30.020
   34    HG3  PRO   6           HG3      PRO   6 -20.377   5.321 -31.050
   35    HD2  PRO   6           HD2      PRO   6 -20.398   2.716 -30.204
   36    HD3  PRO   6           HD3      PRO   6 -21.147   3.250 -31.727
   37    H    LEU   7           H        LEU   7 -16.407   4.193 -34.123
   38    HA   LEU   7           HA       LEU   7 -14.470   2.220 -33.444
   39    HB2  LEU   7           HB2      LEU   7 -14.714   4.268 -35.349
   40    HB3  LEU   7           HB3      LEU   7 -13.287   4.678 -34.396
   41    HG   LEU   7           HG       LEU   7 -12.631   3.225 -36.246
   42   HD11  LEU   7          HD11      LEU   7 -12.491   1.196 -34.134
   43   HD12  LEU   7          HD12      LEU   7 -12.045   2.807 -33.570
   44   HD13  LEU   7          HD13      LEU   7 -11.189   2.080 -34.930
   45   HD21  LEU   7          HD21      LEU   7 -14.007   1.597 -36.975
   46   HD22  LEU   7          HD22      LEU   7 -15.129   1.987 -35.671
   47   HD23  LEU   7          HD23      LEU   7 -13.877   0.769 -35.423
   48    H    LYS   8           H        LYS   8 -13.175   2.095 -31.728
   49    HA   LYS   8           HA       LYS   8 -11.998   2.663 -29.838
   50    HB2  LYS   8           HB2      LYS   8 -10.651   4.406 -30.239
   51    HB3  LYS   8           HB3      LYS   8 -11.673   4.850 -31.607
   52    HG2  LYS   8           HG2      LYS   8 -13.158   6.109 -30.060
   53    HG3  LYS   8           HG3      LYS   8 -12.069   5.718 -28.729
   54    HD2  LYS   8           HD2      LYS   8 -10.399   6.741 -30.733
   55    HD3  LYS   8           HD3      LYS   8 -11.817   7.789 -30.751
   56    HE2  LYS   8           HE2      LYS   8 -10.160   7.087 -28.311
   57    HE3  LYS   8           HE3      LYS   8 -10.165   8.639 -29.148
   58    HZ1  LYS   8           HZ1      LYS   8 -12.309   7.396 -27.547
   59    HZ2  LYS   8           HZ2      LYS   8 -12.671   8.585 -28.706
   60    HZ3  LYS   8           HZ3      LYS   8 -11.638   8.948 -27.406
   61    HN1  NH2   9           HN1      NH2   9 -13.317   2.854 -27.525
   62    HN2  NH2   9           HN2      NH2   9 -13.138   4.534 -27.364
   63    H1   A2G  10           H1       A2G  10 -18.385  -1.754 -35.035
   64    H2   A2G  10           H2       A2G  10 -18.210  -1.424 -37.465
   65    HN2  A2G  10           HN2      A2G  10 -20.782  -0.462 -36.356
   66    H3   A2G  10           H3       A2G  10 -20.933  -2.750 -37.590
   67    HO3  A2G  10           HO3      A2G  10 -19.145  -1.806 -39.579
   68    H4   A2G  10           H4       A2G  10 -19.805  -4.597 -38.695
   69    HO4  A2G  10           HO4      A2G  10 -18.031  -4.048 -39.657
   70    H5   A2G  10           H5       A2G  10 -19.907  -4.709 -36.245
   71    H6   A2G  10           H6       A2G  10 -18.336  -6.416 -35.983
   72    H8   A2G  10           H8       A2G  10 -21.075   1.711 -36.225
   73    H8A  A2G  10           H8A      A2G  10 -20.810   2.238 -37.886
   74    H8B  A2G  10           H8B      A2G  10 -19.726   2.782 -36.606
   75    H14  A2G  10           H14      A2G  10 -18.439  -6.316 -37.741
   76    H15  A2G  10           H15      A2G  10 -16.627  -4.655 -36.425
   77    H1   A2G  11           H1       A2G  11 -17.132   0.870 -29.896
   78    H2   A2G  11           H2       A2G  11 -15.104  -0.503 -29.696
   79    HN2  A2G  11           HN2      A2G  11 -16.989  -1.514 -31.742
   80    H3   A2G  11           H3       A2G  11 -17.011  -2.850 -29.501
   81    HO3  A2G  11           HO3      A2G  11 -14.547  -3.408 -28.776
   82    H4   A2G  11           H4       A2G  11 -16.261  -3.062 -27.199
   83    HO4  A2G  11           HO4      A2G  11 -14.692  -1.839 -26.392
   84    H5   A2G  11           H5       A2G  11 -18.184  -1.582 -27.573
   85    H6   A2G  11           H6       A2G  11 -16.649  -1.658 -25.315
   86    H8   A2G  11           H8       A2G  11 -15.966  -1.954 -33.824
   87    H8A  A2G  11           H8A      A2G  11 -14.460  -1.112 -34.188
   88    H8B  A2G  11           H8B      A2G  11 -15.965  -0.203 -34.043
   89    H14  A2G  11           H14      A2G  11 -16.657   0.074 -25.649
   90    H15  A2G  11           H15      A2G  11 -18.903  -1.634 -25.377
  Start of MODEL   13
    1    H1   ACE   1           H1       ACE   1 -29.674  -5.528 -36.913
    2    H2   ACE   1           H2       ACE   1 -29.908  -6.053 -35.246
    3    H3   ACE   1           H3       ACE   1 -29.362  -7.205 -36.464
    4    HA   PRO   2           HA       PRO   2 -25.074  -6.600 -35.836
    5    HB2  PRO   2           HB2      PRO   2 -24.445  -5.193 -38.268
    6    HB3  PRO   2           HB3      PRO   2 -24.173  -6.900 -37.891
    7    HG2  PRO   2           HG2      PRO   2 -26.293  -5.659 -39.468
    8    HG3  PRO   2           HG3      PRO   2 -25.746  -7.341 -39.434
    9    HD2  PRO   2           HD2      PRO   2 -28.148  -6.525 -38.397
   10    HD3  PRO   2           HD3      PRO   2 -27.255  -7.937 -37.788
   11    H    THR   3           H        THR   3 -24.559  -5.153 -34.292
   12    HA   THR   3           HA       THR   3 -24.228  -2.350 -35.042
   13    HB   THR   3           HB       THR   3 -25.780  -3.039 -32.549
   14    HG1  THR   3           HG1      THR   3 -27.555  -2.188 -33.920
   15   HG21  THR   3          HG21      THR   3 -26.087  -0.461 -33.956
   16   HG22  THR   3          HG22      THR   3 -24.482  -0.753 -33.288
   17   HG23  THR   3          HG23      THR   3 -25.896  -0.790 -32.234
   18    H    THR   4           H        THR   4 -22.493  -1.437 -34.072
   19    HA   THR   4           HA       THR   4 -21.375  -2.724 -31.676
   20    HB   THR   4           HB       THR   4 -19.071  -2.215 -32.936
   21   HG21  THR   4          HG21      THR   4 -19.068  -4.600 -33.599
   22   HG22  THR   4          HG22      THR   4 -20.818  -4.653 -33.402
   23   HG23  THR   4          HG23      THR   4 -19.781  -4.386 -32.001
   24    H    THR   5           H        THR   5 -19.336  -1.331 -31.023
   25    HA   THR   5           HA       THR   5 -20.321   1.419 -30.790
   26    HB   THR   5           HB       THR   5 -18.232   1.397 -29.115
   27   HG21  THR   5          HG21      THR   5 -20.561   1.867 -28.501
   28   HG22  THR   5          HG22      THR   5 -19.868   0.719 -27.357
   29   HG23  THR   5          HG23      THR   5 -20.955   0.152 -28.622
   30    HA   PRO   6           HA       PRO   6 -17.519   3.417 -33.473
   31    HB2  PRO   6           HB2      PRO   6 -16.291   5.106 -31.492
   32    HB3  PRO   6           HB3      PRO   6 -17.532   5.533 -32.680
   33    HG2  PRO   6           HG2      PRO   6 -17.807   4.946 -29.841
   34    HG3  PRO   6           HG3      PRO   6 -18.934   5.749 -30.942
   35    HD2  PRO   6           HD2      PRO   6 -19.340   3.232 -29.911
   36    HD3  PRO   6           HD3      PRO   6 -20.038   3.791 -31.446
   37    H    LEU   7           H        LEU   7 -15.658   2.618 -34.258
   38    HA   LEU   7           HA       LEU   7 -13.891   1.035 -32.684
   39    HB2  LEU   7           HB2      LEU   7 -12.511   0.944 -34.724
   40    HB3  LEU   7           HB3      LEU   7 -14.210   0.635 -35.085
   41    HG   LEU   7           HG       LEU   7 -13.003   3.398 -35.291
   42   HD11  LEU   7          HD11      LEU   7 -13.351   2.498 -37.877
   43   HD12  LEU   7          HD12      LEU   7 -12.696   1.076 -37.065
   44   HD13  LEU   7          HD13      LEU   7 -11.803   2.596 -37.040
   45   HD21  LEU   7          HD21      LEU   7 -15.261   3.755 -35.431
   46   HD22  LEU   7          HD22      LEU   7 -15.599   2.085 -35.887
   47   HD23  LEU   7          HD23      LEU   7 -15.025   3.231 -37.099
   48    H    LYS   8           H        LYS   8 -14.140   3.586 -31.507
   49    HA   LYS   8           HA       LYS   8 -11.347   4.286 -31.274
   50    HB2  LYS   8           HB2      LYS   8 -11.786   6.725 -31.773
   51    HB3  LYS   8           HB3      LYS   8 -11.807   5.663 -33.181
   52    HG2  LYS   8           HG2      LYS   8 -14.216   5.621 -33.209
   53    HG3  LYS   8           HG3      LYS   8 -14.302   6.452 -31.655
   54    HD2  LYS   8           HD2      LYS   8 -12.786   7.813 -33.828
   55    HD3  LYS   8           HD3      LYS   8 -14.542   7.762 -33.988
   56    HE2  LYS   8           HE2      LYS   8 -13.198   8.634 -31.426
   57    HE3  LYS   8           HE3      LYS   8 -13.566   9.773 -32.722
   58    HZ1  LYS   8           HZ1      LYS   8 -15.370   9.747 -31.176
   59    HZ2  LYS   8           HZ2      LYS   8 -15.496   8.054 -31.263
   60    HZ3  LYS   8           HZ3      LYS   8 -15.894   9.009 -32.611
   61    HN1  NH2   9           HN1      NH2   9 -12.376   6.827 -29.019
   62    HN2  NH2   9           HN2      NH2   9 -11.155   5.650 -28.960
   63    H1   A2G  10           H1       A2G  10 -18.216  -1.792 -34.870
   64    H2   A2G  10           H2       A2G  10 -18.292  -1.683 -37.317
   65    HN2  A2G  10           HN2      A2G  10 -20.585  -0.300 -36.051
   66    H3   A2G  10           H3       A2G  10 -21.148  -2.644 -37.013
   67    HO3  A2G  10           HO3      A2G  10 -19.697  -2.445 -39.402
   68    H4   A2G  10           H4       A2G  10 -20.390  -4.691 -38.085
   69    HO4  A2G  10           HO4      A2G  10 -18.611  -3.395 -39.150
   70    H5   A2G  10           H5       A2G  10 -20.184  -4.668 -35.647
   71    H6   A2G  10           H6       A2G  10 -18.614  -6.433 -35.408
   72    H8   A2G  10           H8       A2G  10 -20.249   1.981 -35.810
   73    H8A  A2G  10           H8A      A2G  10 -20.593   2.191 -37.526
   74    H8B  A2G  10           H8B      A2G  10 -19.073   2.779 -36.852
   75    H14  A2G  10           H14      A2G  10 -19.154  -6.544 -37.082
   76    H15  A2G  10           H15      A2G  10 -16.940  -4.953 -36.427
   77    H1   A2G  11           H1       A2G  11 -16.766   0.157 -28.287
   78    H2   A2G  11           H2       A2G  11 -15.795  -2.036 -27.721
   79    HN2  A2G  11           HN2      A2G  11 -16.652  -1.817 -30.548
   80    H3   A2G  11           H3       A2G  11 -18.291  -3.144 -29.029
   81    HO3  A2G  11           HO3      A2G  11 -16.864  -4.882 -27.614
   82    H4   A2G  11           H4       A2G  11 -18.911  -3.922 -26.816
   83    HO4  A2G  11           HO4      A2G  11 -16.649  -4.130 -26.166
   84    H5   A2G  11           H5       A2G  11 -19.664  -1.649 -27.309
   85    H6   A2G  11           H6       A2G  11 -19.597  -2.697 -24.854
   86    H8   A2G  11           H8       A2G  11 -15.084  -2.097 -32.109
   87    H8A  A2G  11           H8A      A2G  11 -13.433  -2.491 -31.629
   88    H8B  A2G  11           H8B      A2G  11 -13.988  -0.818 -31.588
   89    H14  A2G  11           H14      A2G  11 -18.540  -1.316 -24.559
   90    H15  A2G  11           H15      A2G  11 -20.877  -0.847 -25.984
  Start of MODEL   14
    1    H1   ACE   1           H1       ACE   1 -27.571  -6.615 -38.465
    2    H2   ACE   1           H2       ACE   1 -28.832  -6.506 -37.237
    3    H3   ACE   1           H3       ACE   1 -28.015  -8.042 -37.529
    4    HA   PRO   2           HA       PRO   2 -24.857  -7.506 -34.546
    5    HB2  PRO   2           HB2      PRO   2 -22.624  -7.091 -36.317
    6    HB3  PRO   2           HB3      PRO   2 -23.072  -8.566 -35.448
    7    HG2  PRO   2           HG2      PRO   2 -23.520  -7.843 -38.241
    8    HG3  PRO   2           HG3      PRO   2 -23.552  -9.433 -37.467
    9    HD2  PRO   2           HD2      PRO   2 -25.804  -8.167 -38.377
   10    HD3  PRO   2           HD3      PRO   2 -25.816  -9.319 -37.021
   11    H    THR   3           H        THR   3 -25.306  -5.545 -33.586
   12    HA   THR   3           HA       THR   3 -24.474  -3.065 -34.891
   13    HB   THR   3           HB       THR   3 -26.684  -3.384 -33.615
   14    HG1  THR   3           HG1      THR   3 -25.170  -1.354 -34.014
   15   HG21  THR   3          HG21      THR   3 -25.322  -4.448 -31.656
   16   HG22  THR   3          HG22      THR   3 -26.665  -3.371 -31.273
   17   HG23  THR   3          HG23      THR   3 -25.006  -2.775 -31.194
   18    H    THR   4           H        THR   4 -22.984  -1.614 -33.993
   19    HA   THR   4           HA       THR   4 -21.356  -2.592 -31.743
   20    HB   THR   4           HB       THR   4 -19.380  -1.608 -33.248
   21   HG21  THR   4          HG21      THR   4 -18.909  -3.925 -33.956
   22   HG22  THR   4          HG22      THR   4 -20.574  -4.377 -33.584
   23   HG23  THR   4          HG23      THR   4 -19.484  -3.881 -32.289
   24    H    THR   5           H        THR   5 -19.601  -0.767 -31.304
   25    HA   THR   5           HA       THR   5 -21.147   1.704 -30.963
   26    HB   THR   5           HB       THR   5 -18.912   2.171 -29.549
   27   HG21  THR   5          HG21      THR   5 -20.111   1.274 -27.597
   28   HG22  THR   5          HG22      THR   5 -21.162   0.340 -28.662
   29   HG23  THR   5          HG23      THR   5 -21.231   2.103 -28.679
   30    HA   PRO   6           HA       PRO   6 -19.188   4.244 -33.923
   31    HB2  PRO   6           HB2      PRO   6 -18.059   6.126 -32.056
   32    HB3  PRO   6           HB3      PRO   6 -19.513   6.307 -33.050
   33    HG2  PRO   6           HG2      PRO   6 -19.264   5.613 -30.224
   34    HG3  PRO   6           HG3      PRO   6 -20.663   6.223 -31.120
   35    HD2  PRO   6           HD2      PRO   6 -20.491   3.654 -30.186
   36    HD3  PRO   6           HD3      PRO   6 -21.432   4.104 -31.627
   37    H    LEU   7           H        LEU   7 -17.509   2.999 -34.719
   38    HA   LEU   7           HA       LEU   7 -15.402   1.951 -34.707
   39    HB2  LEU   7           HB2      LEU   7 -15.396   4.372 -35.738
   40    HB3  LEU   7           HB3      LEU   7 -14.379   4.742 -34.344
   41    HG   LEU   7           HG       LEU   7 -13.138   2.513 -35.098
   42   HD11  LEU   7          HD11      LEU   7 -13.291   1.980 -37.365
   43   HD12  LEU   7          HD12      LEU   7 -13.931   3.565 -37.798
   44   HD13  LEU   7          HD13      LEU   7 -14.966   2.386 -36.991
   45   HD21  LEU   7          HD21      LEU   7 -11.961   4.591 -34.961
   46   HD22  LEU   7          HD22      LEU   7 -12.877   5.279 -36.301
   47   HD23  LEU   7          HD23      LEU   7 -11.697   4.003 -36.602
   48    H    LYS   8           H        LYS   8 -13.090   3.520 -33.531
   49    HA   LYS   8           HA       LYS   8 -13.035   2.127 -30.999
   50    HB2  LYS   8           HB2      LYS   8 -11.002   2.201 -32.302
   51    HB3  LYS   8           HB3      LYS   8 -11.048   3.963 -32.355
   52    HG2  LYS   8           HG2      LYS   8 -10.330   4.186 -30.183
   53    HG3  LYS   8           HG3      LYS   8 -11.113   2.694 -29.661
   54    HD2  LYS   8           HD2      LYS   8  -9.392   1.365 -30.794
   55    HD3  LYS   8           HD3      LYS   8  -8.621   2.838 -31.383
   56    HE2  LYS   8           HE2      LYS   8  -7.546   1.867 -29.316
   57    HE3  LYS   8           HE3      LYS   8  -8.078   3.538 -29.138
   58    HZ1  LYS   8           HZ1      LYS   8 -10.126   2.717 -28.117
   59    HZ2  LYS   8           HZ2      LYS   8  -8.751   2.240 -27.239
   60    HZ3  LYS   8           HZ3      LYS   8  -9.554   1.124 -28.238
   61    HN1  NH2   9           HN1      NH2   9 -14.145   3.058 -29.274
   62    HN2  NH2   9           HN2      NH2   9 -14.104   4.708 -28.880
   63    H1   A2G  10           H1       A2G  10 -18.878  -0.961 -35.170
   64    H2   A2G  10           H2       A2G  10 -19.195  -0.826 -37.603
   65    HN2  A2G  10           HN2      A2G  10 -21.612  -0.056 -36.077
   66    H3   A2G  10           H3       A2G  10 -21.710  -2.447 -37.116
   67    HO3  A2G  10           HO3      A2G  10 -21.034  -0.775 -39.007
   68    H4   A2G  10           H4       A2G  10 -20.584  -4.249 -38.295
   69    HO4  A2G  10           HO4      A2G  10 -18.531  -4.003 -39.063
   70    H5   A2G  10           H5       A2G  10 -20.220  -4.158 -35.868
   71    H6   A2G  10           H6       A2G  10 -18.207  -5.489 -35.759
   72    H8   A2G  10           H8       A2G  10 -21.875   2.272 -35.898
   73    H8A  A2G  10           H8A      A2G  10 -22.477   2.227 -37.555
   74    H8B  A2G  10           H8B      A2G  10 -21.128   3.285 -37.135
   75    H14  A2G  10           H14      A2G  10 -18.990  -5.851 -37.297
   76    H15  A2G  10           H15      A2G  10 -17.529  -3.887 -37.918
   77    H1   A2G  11           H1       A2G  11 -17.132   1.294 -28.908
   78    H2   A2G  11           H2       A2G  11 -15.717  -0.617 -28.288
   79    HN2  A2G  11           HN2      A2G  11 -16.832  -0.841 -31.022
   80    H3   A2G  11           H3       A2G  11 -18.033  -2.323 -29.242
   81    HO3  A2G  11           HO3      A2G  11 -15.778  -3.037 -29.485
   82    H4   A2G  11           H4       A2G  11 -18.311  -2.962 -26.913
   83    HO4  A2G  11           HO4      A2G  11 -16.001  -1.395 -26.634
   84    H5   A2G  11           H5       A2G  11 -19.539  -0.963 -27.635
   85    H6   A2G  11           H6       A2G  11 -20.106  -1.242 -25.420
   86    H8   A2G  11           H8       A2G  11 -15.393  -0.168 -32.652
   87    H8A  A2G  11           H8A      A2G  11 -14.405  -1.624 -32.522
   88    H8B  A2G  11           H8B      A2G  11 -13.672  -0.037 -32.288
   89    H14  A2G  11           H14      A2G  11 -18.428  -1.185 -24.878
   90    H15  A2G  11           H15      A2G  11 -18.442   1.033 -25.153
  Start of MODEL   15
    1    H1   ACE   1           H1       ACE   1 -22.374  -8.325 -38.894
    2    H2   ACE   1           H2       ACE   1 -23.800  -7.963 -39.867
    3    H3   ACE   1           H3       ACE   1 -23.808  -9.345 -38.771
    4    HA   PRO   2           HA       PRO   2 -25.461  -7.226 -35.316
    5    HB2  PRO   2           HB2      PRO   2 -23.111  -7.179 -33.651
    6    HB3  PRO   2           HB3      PRO   2 -24.507  -8.261 -33.543
    7    HG2  PRO   2           HG2      PRO   2 -21.870  -8.737 -34.700
    8    HG3  PRO   2           HG3      PRO   2 -23.104  -9.895 -34.187
    9    HD2  PRO   2           HD2      PRO   2 -22.483  -9.438 -36.815
   10    HD3  PRO   2           HD3      PRO   2 -24.091  -9.971 -36.275
   11    H    THR   3           H        THR   3 -25.203  -5.249 -33.922
   12    HA   THR   3           HA       THR   3 -23.927  -3.131 -35.483
   13    HB   THR   3           HB       THR   3 -25.196  -1.618 -33.974
   14    HG1  THR   3           HG1      THR   3 -25.919  -2.412 -32.192
   15   HG21  THR   3          HG21      THR   3 -26.234  -3.494 -35.883
   16   HG22  THR   3          HG22      THR   3 -26.780  -1.851 -35.548
   17   HG23  THR   3          HG23      THR   3 -27.452  -3.206 -34.640
   18    H    THR   4           H        THR   4 -22.779  -1.385 -34.300
   19    HA   THR   4           HA       THR   4 -21.390  -2.311 -31.875
   20    HB   THR   4           HB       THR   4 -19.222  -1.578 -32.829
   21   HG21  THR   4          HG21      THR   4 -20.319  -3.965 -33.104
   22   HG22  THR   4          HG22      THR   4 -18.826  -3.573 -33.958
   23   HG23  THR   4          HG23      THR   4 -20.370  -3.515 -34.809
   24    H    THR   5           H        THR   5 -19.981  -0.461 -30.997
   25    HA   THR   5           HA       THR   5 -21.646   1.954 -30.984
   26    HB   THR   5           HB       THR   5 -19.803   2.431 -29.077
   27   HG21  THR   5          HG21      THR   5 -21.444   1.708 -27.499
   28   HG22  THR   5          HG22      THR   5 -22.079   0.497 -28.612
   29   HG23  THR   5          HG23      THR   5 -22.346   2.210 -28.929
   30    HA   PRO   6           HA       PRO   6 -19.143   4.616 -33.367
   31    HB2  PRO   6           HB2      PRO   6 -18.595   6.513 -31.270
   32    HB3  PRO   6           HB3      PRO   6 -19.767   6.648 -32.589
   33    HG2  PRO   6           HG2      PRO   6 -20.187   5.917 -29.793
   34    HG3  PRO   6           HG3      PRO   6 -21.350   6.480 -31.001
   35    HD2  PRO   6           HD2      PRO   6 -21.291   3.906 -30.068
   36    HD3  PRO   6           HD3      PRO   6 -21.872   4.338 -31.692
   37    H    LEU   7           H        LEU   7 -17.461   2.880 -33.288
   38    HA   LEU   7           HA       LEU   7 -14.936   3.948 -32.535
   39    HB2  LEU   7           HB2      LEU   7 -16.118   2.908 -30.362
   40    HB3  LEU   7           HB3      LEU   7 -15.413   1.433 -31.024
   41    HG   LEU   7           HG       LEU   7 -13.274   2.981 -31.298
   42   HD11  LEU   7          HD11      LEU   7 -13.093   4.628 -29.511
   43   HD12  LEU   7          HD12      LEU   7 -14.706   4.219 -28.928
   44   HD13  LEU   7          HD13      LEU   7 -14.508   5.004 -30.494
   45   HD21  LEU   7          HD21      LEU   7 -12.542   2.212 -29.044
   46   HD22  LEU   7          HD22      LEU   7 -13.362   0.937 -29.946
   47   HD23  LEU   7          HD23      LEU   7 -14.215   1.800 -28.665
   48    H    LYS   8           H        LYS   8 -13.542   1.497 -32.254
   49    HA   LYS   8           HA       LYS   8 -14.267  -0.259 -34.429
   50    HB2  LYS   8           HB2      LYS   8 -13.101   1.911 -35.375
   51    HB3  LYS   8           HB3      LYS   8 -11.634   1.109 -34.813
   52    HG2  LYS   8           HG2      LYS   8 -12.709  -0.981 -36.050
   53    HG3  LYS   8           HG3      LYS   8 -13.546   0.277 -36.961
   54    HD2  LYS   8           HD2      LYS   8 -11.263   1.358 -37.319
   55    HD3  LYS   8           HD3      LYS   8 -10.562  -0.134 -36.690
   56    HE2  LYS   8           HE2      LYS   8 -11.760  -1.419 -38.442
   57    HE3  LYS   8           HE3      LYS   8 -12.405   0.089 -39.089
   58    HZ1  LYS   8           HZ1      LYS   8 -10.427   0.665 -39.969
   59    HZ2  LYS   8           HZ2      LYS   8 -10.154  -1.011 -39.947
   60    HZ3  LYS   8           HZ3      LYS   8  -9.523  -0.028 -38.713
   61    HN1  NH2   9           HN1      NH2   9 -12.693  -2.354 -34.257
   62    HN2  NH2   9           HN2      NH2   9 -11.111  -1.876 -33.870
   63    H1   A2G  10           H1       A2G  10 -18.850   0.343 -33.791
   64    H2   A2G  10           H2       A2G  10 -18.336   1.451 -35.923
   65    HN2  A2G  10           HN2      A2G  10 -21.244   1.034 -35.546
   66    H3   A2G  10           H3       A2G  10 -20.133  -0.650 -37.164
   67    HO3  A2G  10           HO3      A2G  10 -19.935   1.594 -38.019
   68    H4   A2G  10           H4       A2G  10 -18.119  -1.530 -38.200
   69    HO4  A2G  10           HO4      A2G  10 -16.397  -0.359 -38.287
   70    H5   A2G  10           H5       A2G  10 -18.668  -2.427 -35.983
   71    H6   A2G  10           H6       A2G  10 -16.311  -3.022 -35.246
   72    H8   A2G  10           H8       A2G  10 -22.095   3.166 -34.339
   73    H8A  A2G  10           H8A      A2G  10 -22.437   3.260 -36.066
   74    H8B  A2G  10           H8B      A2G  10 -21.594   4.583 -35.260
   75    H14  A2G  10           H14      A2G  10 -16.653  -3.334 -36.947
   76    H15  A2G  10           H15      A2G  10 -15.691  -1.303 -37.415
   77    H1   A2G  11           H1       A2G  11 -17.971   1.551 -28.545
   78    H2   A2G  11           H2       A2G  11 -16.695  -0.311 -27.572
   79    HN2  A2G  11           HN2      A2G  11 -17.733  -0.909 -30.280
   80    H3   A2G  11           H3       A2G  11 -19.079  -2.018 -28.338
   81    HO3  A2G  11           HO3      A2G  11 -17.880  -3.643 -27.462
   82    H4   A2G  11           H4       A2G  11 -19.470  -2.259 -25.952
   83    HO4  A2G  11           HO4      A2G  11 -18.141  -1.384 -24.479
   84    H5   A2G  11           H5       A2G  11 -20.551  -0.337 -27.033
   85    H6   A2G  11           H6       A2G  11 -20.955  -0.522 -24.655
   86    H8   A2G  11           H8       A2G  11 -16.259  -0.948 -31.932
   87    H8A  A2G  11           H8A      A2G  11 -15.179  -2.218 -31.355
   88    H8B  A2G  11           H8B      A2G  11 -14.567  -0.581 -31.596
   89    H14  A2G  11           H14      A2G  11 -19.399   0.220 -24.282
   90    H15  A2G  11           H15      A2G  11 -20.231   2.082 -25.489
  Start of MODEL   16
    1    H1   ACE   1           H1       ACE   1 -25.770  -6.455 -30.706
    2    H2   ACE   1           H2       ACE   1 -26.772  -7.624 -31.567
    3    H3   ACE   1           H3       ACE   1 -27.174  -5.908 -31.623
    4    HA   PRO   2           HA       PRO   2 -24.494  -7.577 -35.304
    5    HB2  PRO   2           HB2      PRO   2 -26.390  -6.194 -36.974
    6    HB3  PRO   2           HB3      PRO   2 -26.061  -7.931 -36.898
    7    HG2  PRO   2           HG2      PRO   2 -28.236  -6.396 -35.700
    8    HG3  PRO   2           HG3      PRO   2 -28.118  -8.134 -36.013
    9    HD2  PRO   2           HD2      PRO   2 -28.025  -7.057 -33.496
   10    HD3  PRO   2           HD3      PRO   2 -27.221  -8.583 -33.932
   11    H    THR   3           H        THR   3 -25.751  -4.648 -34.010
   12    HA   THR   3           HA       THR   3 -24.147  -2.940 -35.759
   13    HB   THR   3           HB       THR   3 -26.089  -1.791 -35.345
   14    HG1  THR   3           HG1      THR   3 -24.579  -0.423 -34.520
   15   HG21  THR   3          HG21      THR   3 -26.093  -3.141 -32.635
   16   HG22  THR   3          HG22      THR   3 -27.172  -3.463 -33.992
   17   HG23  THR   3          HG23      THR   3 -27.282  -1.933 -33.121
   18    H    THR   4           H        THR   4 -22.285  -1.941 -35.172
   19    HA   THR   4           HA       THR   4 -21.121  -2.738 -32.588
   20    HB   THR   4           HB       THR   4 -19.054  -1.609 -33.907
   21   HG21  THR   4          HG21      THR   4 -19.133  -3.899 -32.996
   22   HG22  THR   4          HG22      THR   4 -18.465  -3.897 -34.628
   23   HG23  THR   4          HG23      THR   4 -20.131  -4.409 -34.358
   24    H    THR   5           H        THR   5 -19.395  -0.965 -31.885
   25    HA   THR   5           HA       THR   5 -20.958   1.483 -31.464
   26    HB   THR   5           HB       THR   5 -18.819   1.823 -29.871
   27   HG21  THR   5          HG21      THR   5 -20.159   0.814 -28.077
   28   HG22  THR   5          HG22      THR   5 -21.135  -0.040 -29.272
   29   HG23  THR   5          HG23      THR   5 -21.198   1.721 -29.177
   30    HA   PRO   6           HA       PRO   6 -18.801   4.219 -34.093
   31    HB2  PRO   6           HB2      PRO   6 -17.827   5.968 -32.022
   32    HB3  PRO   6           HB3      PRO   6 -19.204   6.216 -33.107
   33    HG2  PRO   6           HG2      PRO   6 -19.162   5.328 -30.325
   34    HG3  PRO   6           HG3      PRO   6 -20.494   5.998 -31.279
   35    HD2  PRO   6           HD2      PRO   6 -20.373   3.369 -30.514
   36    HD3  PRO   6           HD3      PRO   6 -21.209   3.916 -31.985
   37    H    LEU   7           H        LEU   7 -17.086   2.917 -34.786
   38    HA   LEU   7           HA       LEU   7 -14.980   1.876 -34.646
   39    HB2  LEU   7           HB2      LEU   7 -14.906   4.257 -35.715
   40    HB3  LEU   7           HB3      LEU   7 -14.042   4.699 -34.242
   41    HG   LEU   7           HG       LEU   7 -12.697   2.454 -34.838
   42   HD11  LEU   7          HD11      LEU   7 -12.433   2.161 -37.211
   43   HD12  LEU   7          HD12      LEU   7 -13.408   3.591 -37.555
   44   HD13  LEU   7          HD13      LEU   7 -14.166   2.146 -36.886
   45   HD21  LEU   7          HD21      LEU   7 -11.692   4.666 -34.507
   46   HD22  LEU   7          HD22      LEU   7 -12.256   5.181 -36.097
   47   HD23  LEU   7          HD23      LEU   7 -11.027   3.923 -35.962
   48    H    LYS   8           H        LYS   8 -12.754   3.473 -33.336
   49    HA   LYS   8           HA       LYS   8 -11.507   3.125 -31.421
   50    HB2  LYS   8           HB2      LYS   8 -12.682   5.083 -30.713
   51    HB3  LYS   8           HB3      LYS   8 -14.143   4.158 -30.367
   52    HG2  LYS   8           HG2      LYS   8 -13.325   3.344 -28.382
   53    HG3  LYS   8           HG3      LYS   8 -11.660   3.305 -28.964
   54    HD2  LYS   8           HD2      LYS   8 -11.510   5.745 -28.775
   55    HD3  LYS   8           HD3      LYS   8 -13.193   5.822 -28.251
   56    HE2  LYS   8           HE2      LYS   8 -12.603   4.374 -26.299
   57    HE3  LYS   8           HE3      LYS   8 -10.912   4.455 -26.794
   58    HZ1  LYS   8           HZ1      LYS   8 -11.043   6.175 -25.308
   59    HZ2  LYS   8           HZ2      LYS   8 -12.641   6.577 -25.724
   60    HZ3  LYS   8           HZ3      LYS   8 -11.359   6.996 -26.758
   61    HN1  NH2   9           HN1      NH2   9 -11.776   0.501 -31.828
   62    HN2  NH2   9           HN2      NH2   9 -11.800   0.026 -30.199
   63    H1   A2G  10           H1       A2G  10 -18.442  -0.927 -35.783
   64    H2   A2G  10           H2       A2G  10 -18.616  -0.747 -38.229
   65    HN2  A2G  10           HN2      A2G  10 -21.153  -0.061 -36.864
   66    H3   A2G  10           H3       A2G  10 -21.129  -2.414 -37.928
   67    HO3  A2G  10           HO3      A2G  10 -19.741  -1.586 -40.249
   68    H4   A2G  10           H4       A2G  10 -19.911  -4.186 -39.054
   69    HO4  A2G  10           HO4      A2G  10 -18.567  -2.881 -40.317
   70    H5   A2G  10           H5       A2G  10 -19.661  -4.141 -36.616
   71    H6   A2G  10           H6       A2G  10 -17.792  -5.557 -36.473
   72    H8   A2G  10           H8       A2G  10 -21.499   2.168 -36.582
   73    H8A  A2G  10           H8A      A2G  10 -21.798   2.450 -38.297
   74    H8B  A2G  10           H8B      A2G  10 -20.506   3.321 -37.472
   75    H14  A2G  10           H14      A2G  10 -18.214  -5.661 -38.183
   76    H15  A2G  10           H15      A2G  10 -16.675  -3.600 -38.034
   77    H1   A2G  11           H1       A2G  11 -17.086   0.879 -29.198
   78    H2   A2G  11           H2       A2G  11 -15.731  -1.090 -28.625
   79    HN2  A2G  11           HN2      A2G  11 -16.680  -1.114 -31.429
   80    H3   A2G  11           H3       A2G  11 -17.995  -2.700 -29.838
   81    HO3  A2G  11           HO3      A2G  11 -15.396  -3.188 -29.064
   82    H4   A2G  11           H4       A2G  11 -18.449  -3.482 -27.586
   83    HO4  A2G  11           HO4      A2G  11 -16.852  -3.396 -26.253
   84    H5   A2G  11           H5       A2G  11 -19.598  -1.411 -28.219
   85    H6   A2G  11           H6       A2G  11 -19.490  -2.347 -25.746
   86    H8   A2G  11           H8       A2G  11 -15.156  -1.255 -33.014
   87    H8A  A2G  11           H8A      A2G  11 -13.473  -1.536 -32.571
   88    H8B  A2G  11           H8B      A2G  11 -14.106   0.108 -32.627
   89    H14  A2G  11           H14      A2G  11 -18.619  -0.844 -25.439
   90    H15  A2G  11           H15      A2G  11 -20.382   0.282 -26.326
  Start of MODEL   17
    1    H1   ACE   1           H1       ACE   1 -29.655  -7.699 -34.345
    2    H2   ACE   1           H2       ACE   1 -29.081  -8.901 -35.501
    3    H3   ACE   1           H3       ACE   1 -29.556  -7.296 -36.058
    4    HA   PRO   2           HA       PRO   2 -24.974  -7.270 -35.339
    5    HB2  PRO   2           HB2      PRO   2 -24.650  -6.173 -37.985
    6    HB3  PRO   2           HB3      PRO   2 -24.136  -7.757 -37.385
    7    HG2  PRO   2           HG2      PRO   2 -26.131  -7.315 -39.244
    8    HG3  PRO   2           HG3      PRO   2 -25.906  -8.796 -38.303
    9    HD2  PRO   2           HD2      PRO   2 -27.880  -6.597 -37.909
   10    HD3  PRO   2           HD3      PRO   2 -28.022  -8.327 -37.525
   11    H    THR   3           H        THR   3 -24.858  -5.560 -33.940
   12    HA   THR   3           HA       THR   3 -24.680  -2.891 -35.120
   13    HB   THR   3           HB       THR   3 -26.777  -2.382 -34.441
   14    HG1  THR   3           HG1      THR   3 -26.622  -1.378 -32.593
   15   HG21  THR   3          HG21      THR   3 -27.963  -3.778 -32.668
   16   HG22  THR   3          HG22      THR   3 -26.543  -4.824 -32.677
   17   HG23  THR   3          HG23      THR   3 -27.508  -4.635 -34.141
   18    H    THR   4           H        THR   4 -22.610  -2.499 -34.576
   19    HA   THR   4           HA       THR   4 -21.719  -3.113 -31.836
   20    HB   THR   4           HB       THR   4 -19.430  -2.540 -32.848
   21   HG21  THR   4          HG21      THR   4 -19.154  -4.757 -33.646
   22   HG22  THR   4          HG22      THR   4 -20.825  -4.848 -34.204
   23   HG23  THR   4          HG23      THR   4 -20.469  -4.868 -32.477
   24    H    THR   5           H        THR   5 -19.734  -1.351 -31.429
   25    HA   THR   5           HA       THR   5 -21.196   1.175 -31.135
   26    HB   THR   5           HB       THR   5 -18.750   1.442 -29.840
   27   HG21  THR   5          HG21      THR   5 -21.506   0.592 -28.945
   28   HG22  THR   5          HG22      THR   5 -20.755   2.183 -28.809
   29   HG23  THR   5          HG23      THR   5 -20.197   0.854 -27.792
   30    HA   PRO   6           HA       PRO   6 -18.715   3.374 -34.014
   31    HB2  PRO   6           HB2      PRO   6 -18.293   5.692 -32.354
   32    HB3  PRO   6           HB3      PRO   6 -19.494   5.465 -33.634
   33    HG2  PRO   6           HG2      PRO   6 -20.044   5.685 -30.937
   34    HG3  PRO   6           HG3      PRO   6 -21.133   5.017 -32.160
   35    HD2  PRO   6           HD2      PRO   6 -19.452   3.588 -30.153
   36    HD3  PRO   6           HD3      PRO   6 -21.006   3.111 -30.874
   37    H    LEU   7           H        LEU   7 -16.613   3.442 -34.628
   38    HA   LEU   7           HA       LEU   7 -14.555   2.630 -32.834
   39    HB2  LEU   7           HB2      LEU   7 -14.595   2.163 -35.302
   40    HB3  LEU   7           HB3      LEU   7 -14.224   3.865 -35.575
   41    HG   LEU   7           HG       LEU   7 -12.191   3.582 -34.118
   42   HD11  LEU   7          HD11      LEU   7 -12.416   1.722 -32.789
   43   HD12  LEU   7          HD12      LEU   7 -11.584   0.957 -34.144
   44   HD13  LEU   7          HD13      LEU   7 -13.337   0.836 -34.004
   45   HD21  LEU   7          HD21      LEU   7 -10.885   2.390 -35.843
   46   HD22  LEU   7          HD22      LEU   7 -12.046   3.491 -36.585
   47   HD23  LEU   7          HD23      LEU   7 -12.378   1.759 -36.540
   48    H    LYS   8           H        LYS   8 -12.853   3.788 -31.960
   49    HA   LYS   8           HA       LYS   8 -13.383   6.579 -31.430
   50    HB2  LYS   8           HB2      LYS   8 -11.695   6.436 -29.808
   51    HB3  LYS   8           HB3      LYS   8 -12.388   4.814 -29.814
   52    HG2  LYS   8           HG2      LYS   8 -10.573   4.296 -31.608
   53    HG3  LYS   8           HG3      LYS   8  -9.785   5.752 -31.001
   54    HD2  LYS   8           HD2      LYS   8  -9.955   4.773 -28.680
   55    HD3  LYS   8           HD3      LYS   8 -10.507   3.271 -29.422
   56    HE2  LYS   8           HE2      LYS   8  -8.264   2.798 -29.410
   57    HE3  LYS   8           HE3      LYS   8  -8.305   3.713 -30.916
   58    HZ1  LYS   8           HZ1      LYS   8  -8.003   5.713 -29.279
   59    HZ2  LYS   8           HZ2      LYS   8  -6.663   4.810 -29.807
   60    HZ3  LYS   8           HZ3      LYS   8  -7.335   4.522 -28.273
   61    HN1  NH2   9           HN1      NH2   9 -10.494   5.894 -34.176
   62    HN2  NH2   9           HN2      NH2   9 -12.113   5.388 -34.265
   63    H1   A2G  10           H1       A2G  10 -18.752  -1.147 -34.275
   64    H2   A2G  10           H2       A2G  10 -18.339  -0.537 -36.620
   65    HN2  A2G  10           HN2      A2G  10 -21.189  -0.320 -35.849
   66    H3   A2G  10           H3       A2G  10 -20.615  -2.432 -37.260
   67    HO3  A2G  10           HO3      A2G  10 -19.853  -0.366 -38.507
   68    H4   A2G  10           H4       A2G  10 -18.943  -3.861 -38.283
   69    HO4  A2G  10           HO4      A2G  10 -17.413  -2.498 -38.989
   70    H5   A2G  10           H5       A2G  10 -19.310  -4.243 -35.890
   71    H6   A2G  10           H6       A2G  10 -17.254  -5.384 -35.386
   72    H8   A2G  10           H8       A2G  10 -21.790   1.861 -35.275
   73    H8A  A2G  10           H8A      A2G  10 -21.900   2.218 -36.999
   74    H8B  A2G  10           H8B      A2G  10 -20.859   3.193 -35.961
   75    H14  A2G  10           H14      A2G  10 -17.447  -5.450 -37.137
   76    H15  A2G  10           H15      A2G  10 -15.345  -4.686 -36.065
   77    H1   A2G  11           H1       A2G  11 -17.555   0.429 -28.594
   78    H2   A2G  11           H2       A2G  11 -16.169  -1.581 -28.309
   79    HN2  A2G  11           HN2      A2G  11 -17.100  -1.199 -31.093
   80    H3   A2G  11           H3       A2G  11 -18.395  -3.029 -29.767
   81    HO3  A2G  11           HO3      A2G  11 -16.991  -4.811 -28.930
   82    H4   A2G  11           H4       A2G  11 -18.847  -4.146 -27.660
   83    HO4  A2G  11           HO4      A2G  11 -16.647  -2.608 -26.776
   84    H5   A2G  11           H5       A2G  11 -20.030  -2.024 -27.986
   85    H6   A2G  11           H6       A2G  11 -20.076  -3.292 -25.739
   86    H8   A2G  11           H8       A2G  11 -15.616  -0.901 -32.645
   87    H8A  A2G  11           H8A      A2G  11 -13.983  -1.484 -32.320
   88    H8B  A2G  11           H8B      A2G  11 -14.393   0.205 -32.023
   89    H14  A2G  11           H14      A2G  11 -19.009  -2.021 -25.142
   90    H15  A2G  11           H15      A2G  11 -20.577  -0.504 -25.665
  Start of MODEL   18
    1    H1   ACE   1           H1       ACE   1 -27.998  -5.589 -39.265
    2    H2   ACE   1           H2       ACE   1 -27.662  -7.257 -38.804
    3    H3   ACE   1           H3       ACE   1 -26.381  -6.258 -39.489
    4    HA   PRO   2           HA       PRO   2 -26.592  -6.418 -34.645
    5    HB2  PRO   2           HB2      PRO   2 -23.762  -6.937 -34.795
    6    HB3  PRO   2           HB3      PRO   2 -25.035  -7.990 -34.161
    7    HG2  PRO   2           HG2      PRO   2 -23.683  -8.055 -36.748
    8    HG3  PRO   2           HG3      PRO   2 -24.613  -9.316 -35.927
    9    HD2  PRO   2           HD2      PRO   2 -25.515  -8.004 -38.156
   10    HD3  PRO   2           HD3      PRO   2 -26.601  -8.686 -36.923
   11    H    THR   3           H        THR   3 -26.359  -4.482 -33.688
   12    HA   THR   3           HA       THR   3 -24.781  -2.410 -35.018
   13    HB   THR   3           HB       THR   3 -25.889  -0.882 -33.428
   14    HG1  THR   3           HG1      THR   3 -26.322  -1.935 -31.635
   15   HG21  THR   3          HG21      THR   3 -28.331  -2.079 -34.142
   16   HG22  THR   3          HG22      THR   3 -27.188  -2.561 -35.395
   17   HG23  THR   3          HG23      THR   3 -27.447  -0.851 -35.048
   18    H    THR   4           H        THR   4 -22.722  -2.145 -34.468
   19    HA   THR   4           HA       THR   4 -21.840  -2.950 -31.776
   20    HB   THR   4           HB       THR   4 -19.538  -2.756 -32.796
   21   HG21  THR   4          HG21      THR   4 -21.109  -4.859 -32.737
   22   HG22  THR   4          HG22      THR   4 -19.648  -4.899 -33.724
   23   HG23  THR   4          HG23      THR   4 -21.214  -4.598 -34.478
   24    H    THR   5           H        THR   5 -19.789  -1.528 -31.135
   25    HA   THR   5           HA       THR   5 -20.806   1.220 -30.975
   26    HB   THR   5           HB       THR   5 -18.653   1.196 -29.329
   27   HG21  THR   5          HG21      THR   5 -21.533   0.449 -28.958
   28   HG22  THR   5          HG22      THR   5 -20.667   1.873 -28.383
   29   HG23  THR   5          HG23      THR   5 -20.432   0.317 -27.586
   30    HA   PRO   6           HA       PRO   6 -18.048   3.223 -33.690
   31    HB2  PRO   6           HB2      PRO   6 -16.744   4.865 -31.714
   32    HB3  PRO   6           HB3      PRO   6 -18.016   5.327 -32.855
   33    HG2  PRO   6           HG2      PRO   6 -18.214   4.660 -30.019
   34    HG3  PRO   6           HG3      PRO   6 -19.351   5.532 -31.057
   35    HD2  PRO   6           HD2      PRO   6 -19.823   3.005 -30.110
   36    HD3  PRO   6           HD3      PRO   6 -20.496   3.612 -31.642
   37    H    LEU   7           H        LEU   7 -16.100   2.682 -34.530
   38    HA   LEU   7           HA       LEU   7 -14.373   0.883 -33.153
   39    HB2  LEU   7           HB2      LEU   7 -12.920   1.141 -35.157
   40    HB3  LEU   7           HB3      LEU   7 -14.596   0.772 -35.571
   41    HG   LEU   7           HG       LEU   7 -14.537   3.557 -35.413
   42   HD11  LEU   7          HD11      LEU   7 -12.659   4.173 -36.912
   43   HD12  LEU   7          HD12      LEU   7 -12.066   2.514 -36.832
   44   HD13  LEU   7          HD13      LEU   7 -12.081   3.516 -35.381
   45   HD21  LEU   7          HD21      LEU   7 -14.721   3.386 -37.916
   46   HD22  LEU   7          HD22      LEU   7 -15.797   2.284 -37.057
   47   HD23  LEU   7          HD23      LEU   7 -14.309   1.676 -37.784
   48    H    LYS   8           H        LYS   8 -14.814   3.798 -32.201
   49    HA   LYS   8           HA       LYS   8 -12.112   4.165 -31.248
   50    HB2  LYS   8           HB2      LYS   8 -11.938   5.260 -33.434
   51    HB3  LYS   8           HB3      LYS   8 -13.348   6.251 -33.063
   52    HG2  LYS   8           HG2      LYS   8 -12.205   7.563 -31.547
   53    HG3  LYS   8           HG3      LYS   8 -11.087   6.269 -31.111
   54    HD2  LYS   8           HD2      LYS   8 -11.018   7.394 -33.894
   55    HD3  LYS   8           HD3      LYS   8 -10.240   8.282 -32.583
   56    HE2  LYS   8           HE2      LYS   8  -8.625   6.671 -32.262
   57    HE3  LYS   8           HE3      LYS   8  -9.689   5.356 -32.763
   58    HZ1  LYS   8           HZ1      LYS   8  -9.480   6.078 -35.043
   59    HZ2  LYS   8           HZ2      LYS   8  -7.938   5.796 -34.387
   60    HZ3  LYS   8           HZ3      LYS   8  -8.505   7.385 -34.580
   61    HN1  NH2   9           HN1      NH2   9 -12.447   5.900 -29.054
   62    HN2  NH2   9           HN2      NH2   9 -13.218   7.183 -29.855
   63    H1   A2G  10           H1       A2G  10 -18.751  -1.146 -34.004
   64    H2   A2G  10           H2       A2G  10 -18.131  -0.416 -36.268
   65    HN2  A2G  10           HN2      A2G  10 -21.012  -0.045 -35.698
   66    H3   A2G  10           H3       A2G  10 -20.473  -2.107 -37.186
   67    HO3  A2G  10           HO3      A2G  10 -19.780  -1.451 -39.210
   68    H4   A2G  10           H4       A2G  10 -18.816  -3.562 -38.205
   69    HO4  A2G  10           HO4      A2G  10 -16.978  -2.674 -38.625
   70    H5   A2G  10           H5       A2G  10 -19.411  -4.072 -35.878
   71    H6   A2G  10           H6       A2G  10 -17.509  -5.422 -35.320
   72    H8   A2G  10           H8       A2G  10 -21.497   2.120 -34.972
   73    H8A  A2G  10           H8A      A2G  10 -21.450   2.627 -36.661
   74    H8B  A2G  10           H8B      A2G  10 -20.425   3.428 -35.471
   75    H14  A2G  10           H14      A2G  10 -17.540  -5.328 -37.081
   76    H15  A2G  10           H15      A2G  10 -15.967  -3.761 -35.316
   77    H1   A2G  11           H1       A2G  11 -17.430   0.034 -28.254
   78    H2   A2G  11           H2       A2G  11 -16.323  -2.108 -27.780
   79    HN2  A2G  11           HN2      A2G  11 -17.054  -1.929 -30.643
   80    H3   A2G  11           H3       A2G  11 -18.646  -3.356 -29.273
   81    HO3  A2G  11           HO3      A2G  11 -16.710  -4.692 -27.745
   82    H4   A2G  11           H4       A2G  11 -19.314  -4.289 -27.131
   83    HO4  A2G  11           HO4      A2G  11 -17.323  -2.722 -25.899
   84    H5   A2G  11           H5       A2G  11 -20.215  -2.068 -27.668
   85    H6   A2G  11           H6       A2G  11 -20.305  -3.223 -25.245
   86    H8   A2G  11           H8       A2G  11 -15.406  -1.908 -32.103
   87    H8A  A2G  11           H8A      A2G  11 -13.752  -2.142 -31.538
   88    H8B  A2G  11           H8B      A2G  11 -14.455  -0.524 -31.564
   89    H14  A2G  11           H14      A2G  11 -19.454  -1.744 -24.799
   90    H15  A2G  11           H15      A2G  11 -22.020  -2.075 -25.882
  Start of MODEL   19
    1    H1   ACE   1           H1       ACE   1 -29.674  -7.616 -35.814
    2    H2   ACE   1           H2       ACE   1 -28.793  -8.246 -37.207
    3    H3   ACE   1           H3       ACE   1 -29.463  -6.614 -37.250
    4    HA   PRO   2           HA       PRO   2 -24.817  -6.963 -35.906
    5    HB2  PRO   2           HB2      PRO   2 -24.377  -4.845 -37.809
    6    HB3  PRO   2           HB3      PRO   2 -23.737  -6.495 -37.840
    7    HG2  PRO   2           HG2      PRO   2 -25.982  -5.341 -39.307
    8    HG3  PRO   2           HG3      PRO   2 -25.060  -6.815 -39.630
    9    HD2  PRO   2           HD2      PRO   2 -27.647  -6.836 -38.731
   10    HD3  PRO   2           HD3      PRO   2 -26.487  -8.140 -38.387
   11    H    THR   3           H        THR   3 -24.279  -5.737 -34.192
   12    HA   THR   3           HA       THR   3 -24.999  -2.906 -34.117
   13    HB   THR   3           HB       THR   3 -25.758  -4.715 -31.821
   14    HG1  THR   3           HG1      THR   3 -27.215  -3.815 -34.059
   15   HG21  THR   3          HG21      THR   3 -26.873  -2.789 -30.969
   16   HG22  THR   3          HG22      THR   3 -26.711  -1.930 -32.500
   17   HG23  THR   3          HG23      THR   3 -25.289  -2.222 -31.498
   18    H    THR   4           H        THR   4 -23.021  -2.066 -33.842
   19    HA   THR   4           HA       THR   4 -21.458  -2.970 -31.517
   20    HB   THR   4           HB       THR   4 -19.377  -2.861 -32.830
   21   HG21  THR   4          HG21      THR   4 -21.208  -4.635 -34.415
   22   HG22  THR   4          HG22      THR   4 -20.977  -4.952 -32.695
   23   HG23  THR   4          HG23      THR   4 -19.594  -4.973 -33.790
   24    H    THR   5           H        THR   5 -19.640  -1.367 -31.067
   25    HA   THR   5           HA       THR   5 -20.776   1.335 -31.249
   26    HB   THR   5           HB       THR   5 -18.630   1.603 -29.610
   27   HG21  THR   5          HG21      THR   5 -20.392   0.885 -27.774
   28   HG22  THR   5          HG22      THR   5 -21.485   0.809 -29.156
   29   HG23  THR   5          HG23      THR   5 -20.671   2.322 -28.758
   30    HA   PRO   6           HA       PRO   6 -18.086   3.097 -34.189
   31    HB2  PRO   6           HB2      PRO   6 -16.871   5.031 -32.434
   32    HB3  PRO   6           HB3      PRO   6 -18.152   5.288 -33.628
   33    HG2  PRO   6           HG2      PRO   6 -18.344   4.978 -30.732
   34    HG3  PRO   6           HG3      PRO   6 -19.510   5.659 -31.875
   35    HD2  PRO   6           HD2      PRO   6 -19.880   3.255 -30.616
   36    HD3  PRO   6           HD3      PRO   6 -20.564   3.632 -32.213
   37    H    LEU   7           H        LEU   7 -16.095   2.581 -34.949
   38    HA   LEU   7           HA       LEU   7 -14.309   1.024 -33.367
   39    HB2  LEU   7           HB2      LEU   7 -12.854   1.084 -35.362
   40    HB3  LEU   7           HB3      LEU   7 -14.518   0.678 -35.782
   41    HG   LEU   7           HG       LEU   7 -14.417   3.481 -35.866
   42   HD11  LEU   7          HD11      LEU   7 -12.546   3.891 -37.446
   43   HD12  LEU   7          HD12      LEU   7 -11.997   2.233 -37.205
   44   HD13  LEU   7          HD13      LEU   7 -11.964   3.376 -35.862
   45   HD21  LEU   7          HD21      LEU   7 -14.201   1.458 -38.120
   46   HD22  LEU   7          HD22      LEU   7 -14.756   3.124 -38.283
   47   HD23  LEU   7          HD23      LEU   7 -15.702   1.967 -37.347
   48    H    LYS   8           H        LYS   8 -14.901   4.027 -32.789
   49    HA   LYS   8           HA       LYS   8 -13.712   5.622 -31.607
   50    HB2  LYS   8           HB2      LYS   8 -12.190   3.483 -31.152
   51    HB3  LYS   8           HB3      LYS   8 -11.080   4.358 -32.206
   52    HG2  LYS   8           HG2      LYS   8 -11.669   6.408 -30.682
   53    HG3  LYS   8           HG3      LYS   8 -12.181   5.172 -29.531
   54    HD2  LYS   8           HD2      LYS   8  -9.872   4.077 -30.029
   55    HD3  LYS   8           HD3      LYS   8  -9.436   5.663 -30.667
   56    HE2  LYS   8           HE2      LYS   8  -9.962   4.831 -27.864
   57    HE3  LYS   8           HE3      LYS   8  -8.847   6.047 -28.487
   58    HZ1  LYS   8           HZ1      LYS   8 -10.534   7.225 -27.392
   59    HZ2  LYS   8           HZ2      LYS   8 -11.770   6.285 -28.082
   60    HZ3  LYS   8           HZ3      LYS   8 -10.895   7.380 -29.042
   61    HN1  NH2   9           HN1      NH2   9 -13.158   6.989 -35.010
   62    HN2  NH2   9           HN2      NH2   9 -14.163   5.687 -34.592
   63    H1   A2G  10           H1       A2G  10 -18.720  -1.189 -34.048
   64    H2   A2G  10           H2       A2G  10 -18.311  -0.394 -36.338
   65    HN2  A2G  10           HN2      A2G  10 -21.147  -0.059 -35.554
   66    H3   A2G  10           H3       A2G  10 -20.718  -2.076 -37.086
   67    HO3  A2G  10           HO3      A2G  10 -19.470   0.011 -38.205
   68    H4   A2G  10           H4       A2G  10 -19.154  -3.493 -38.289
   69    HO4  A2G  10           HO4      A2G  10 -17.446  -2.414 -38.888
   70    H5   A2G  10           H5       A2G  10 -19.536  -4.069 -35.933
   71    H6   A2G  10           H6       A2G  10 -17.665  -5.483 -35.648
   72    H8   A2G  10           H8       A2G  10 -21.593   2.021 -34.651
   73    H8A  A2G  10           H8A      A2G  10 -21.581   2.725 -36.267
   74    H8B  A2G  10           H8B      A2G  10 -20.507   3.360 -35.022
   75    H14  A2G  10           H14      A2G  10 -17.703  -5.202 -37.389
   76    H15  A2G  10           H15      A2G  10 -16.090  -3.899 -35.460
   77    H1   A2G  11           H1       A2G  11 -17.399   0.647 -28.371
   78    H2   A2G  11           H2       A2G  11 -16.166  -1.364 -27.683
   79    HN2  A2G  11           HN2      A2G  11 -16.898  -1.452 -30.550
   80    H3   A2G  11           H3       A2G  11 -18.398  -2.898 -29.041
   81    HO3  A2G  11           HO3      A2G  11 -16.294  -3.819 -29.115
   82    H4   A2G  11           H4       A2G  11 -19.021  -3.646 -26.815
   83    HO4  A2G  11           HO4      A2G  11 -17.702  -3.422 -25.212
   84    H5   A2G  11           H5       A2G  11 -20.052  -1.552 -27.575
   85    H6   A2G  11           H6       A2G  11 -20.088  -2.458 -25.048
   86    H8   A2G  11           H8       A2G  11 -15.220  -1.654 -32.000
   87    H8A  A2G  11           H8A      A2G  11 -13.560  -1.726 -31.410
   88    H8B  A2G  11           H8B      A2G  11 -14.356  -0.165 -31.613
   89    H14  A2G  11           H14      A2G  11 -19.330  -0.893 -24.753
   90    H15  A2G  11           H15      A2G  11 -21.886  -1.505 -25.661
  Start of MODEL   20
    1    H1   ACE   1           H1       ACE   1 -26.115  -9.240 -38.034
    2    H2   ACE   1           H2       ACE   1 -24.415  -8.771 -38.000
    3    H3   ACE   1           H3       ACE   1 -25.471  -8.168 -39.278
    4    HA   PRO   2           HA       PRO   2 -27.408  -6.091 -35.284
    5    HB2  PRO   2           HB2      PRO   2 -25.444  -6.465 -33.209
    6    HB3  PRO   2           HB3      PRO   2 -27.127  -7.013 -33.235
    7    HG2  PRO   2           HG2      PRO   2 -24.677  -8.506 -33.776
    8    HG3  PRO   2           HG3      PRO   2 -26.294  -9.096 -33.366
    9    HD2  PRO   2           HD2      PRO   2 -25.188  -9.369 -35.857
   10    HD3  PRO   2           HD3      PRO   2 -26.942  -9.258 -35.578
   11    H    THR   3           H        THR   3 -26.581  -4.127 -33.992
   12    HA   THR   3           HA       THR   3 -24.561  -2.786 -35.627
   13    HB   THR   3           HB       THR   3 -26.640  -1.586 -35.240
   14    HG1  THR   3           HG1      THR   3 -24.369  -0.627 -33.858
   15   HG21  THR   3          HG21      THR   3 -25.949  -1.848 -32.301
   16   HG22  THR   3          HG22      THR   3 -27.264  -2.686 -33.125
   17   HG23  THR   3          HG23      THR   3 -27.304  -0.931 -32.958
   18    H    THR   4           H        THR   4 -22.664  -1.924 -34.836
   19    HA   THR   4           HA       THR   4 -21.795  -2.988 -32.232
   20    HB   THR   4           HB       THR   4 -19.524  -2.022 -33.327
   21   HG21  THR   4          HG21      THR   4 -19.916  -4.335 -32.564
   22   HG22  THR   4          HG22      THR   4 -19.125  -4.319 -34.141
   23   HG23  THR   4          HG23      THR   4 -20.851  -4.659 -34.025
   24    H    THR   5           H        THR   5 -19.861  -1.415 -31.410
   25    HA   THR   5           HA       THR   5 -21.226   1.120 -30.840
   26    HB   THR   5           HB       THR   5 -19.444   1.321 -29.062
   27   HG21  THR   5          HG21      THR   5 -20.922  -1.308 -28.889
   28   HG22  THR   5          HG22      THR   5 -21.757   0.241 -28.775
   29   HG23  THR   5          HG23      THR   5 -20.533  -0.190 -27.581
   30    HA   PRO   6           HA       PRO   6 -18.863   3.764 -33.390
   31    HB2  PRO   6           HB2      PRO   6 -17.938   5.455 -31.250
   32    HB3  PRO   6           HB3      PRO   6 -19.246   5.763 -32.401
   33    HG2  PRO   6           HG2      PRO   6 -19.382   4.846 -29.632
   34    HG3  PRO   6           HG3      PRO   6 -20.638   5.572 -30.646
   35    HD2  PRO   6           HD2      PRO   6 -20.650   2.934 -29.908
   36    HD3  PRO   6           HD3      PRO   6 -21.388   3.526 -31.415
   37    H    LEU   7           H        LEU   7 -16.764   3.949 -34.113
   38    HA   LEU   7           HA       LEU   7 -14.794   2.231 -32.979
   39    HB2  LEU   7           HB2      LEU   7 -14.981   2.781 -35.415
   40    HB3  LEU   7           HB3      LEU   7 -14.393   4.403 -35.048
   41    HG   LEU   7           HG       LEU   7 -12.349   3.381 -34.032
   42   HD11  LEU   7          HD11      LEU   7 -12.138   0.881 -35.042
   43   HD12  LEU   7          HD12      LEU   7 -13.873   0.926 -34.726
   44   HD13  LEU   7          HD13      LEU   7 -12.730   1.208 -33.413
   45   HD21  LEU   7          HD21      LEU   7 -11.694   3.962 -36.132
   46   HD22  LEU   7          HD22      LEU   7 -13.135   3.266 -36.871
   47   HD23  LEU   7          HD23      LEU   7 -11.767   2.232 -36.464
   48    H    LYS   8           H        LYS   8 -13.818   2.690 -31.108
   49    HA   LYS   8           HA       LYS   8 -12.875   3.907 -29.383
   50    HB2  LYS   8           HB2      LYS   8 -11.537   5.339 -31.688
   51    HB3  LYS   8           HB3      LYS   8 -10.914   5.137 -30.050
   52    HG2  LYS   8           HG2      LYS   8 -11.542   2.821 -31.900
   53    HG3  LYS   8           HG3      LYS   8  -9.935   3.528 -31.729
   54    HD2  LYS   8           HD2      LYS   8  -9.627   2.105 -30.004
   55    HD3  LYS   8           HD3      LYS   8 -10.758   3.114 -29.101
   56    HE2  LYS   8           HE2      LYS   8 -12.626   1.724 -30.147
   57    HE3  LYS   8           HE3      LYS   8 -11.369   0.613 -30.688
   58    HZ1  LYS   8           HZ1      LYS   8 -11.028  -0.144 -28.621
   59    HZ2  LYS   8           HZ2      LYS   8 -12.584   0.464 -28.312
   60    HZ3  LYS   8           HZ3      LYS   8 -11.213   1.381 -27.904
   61    HN1  NH2   9           HN1      NH2   9 -13.223   6.916 -28.503
   62    HN2  NH2   9           HN2      NH2   9 -12.291   7.247 -29.883
   63    H1   A2G  10           H1       A2G  10 -18.705  -1.307 -35.110
   64    H2   A2G  10           H2       A2G  10 -18.668  -0.980 -37.545
   65    HN2  A2G  10           HN2      A2G  10 -21.208  -0.104 -36.301
   66    H3   A2G  10           H3       A2G  10 -21.350  -2.391 -37.533
   67    HO3  A2G  10           HO3      A2G  10 -19.715  -1.629 -39.706
   68    H4   A2G  10           H4       A2G  10 -20.229  -4.218 -38.670
   69    HO4  A2G  10           HO4      A2G  10 -18.535  -3.631 -39.745
   70    H5   A2G  10           H5       A2G  10 -20.174  -4.326 -36.221
   71    H6   A2G  10           H6       A2G  10 -18.749  -6.096 -36.231
   72    H8   A2G  10           H8       A2G  10 -21.257   2.193 -35.895
   73    H8A  A2G  10           H8A      A2G  10 -21.631   2.424 -37.603
   74    H8B  A2G  10           H8B      A2G  10 -20.241   3.240 -36.887
   75    H14  A2G  10           H14      A2G  10 -18.497  -5.702 -37.932
   76    H15  A2G  10           H15      A2G  10 -16.725  -5.655 -36.003
   77    H1   A2G  11           H1       A2G  11 -17.351   1.078 -29.834
   78    H2   A2G  11           H2       A2G  11 -15.328  -0.276 -29.498
   79    HN2  A2G  11           HN2      A2G  11 -17.189  -1.449 -31.479
   80    H3   A2G  11           H3       A2G  11 -17.241  -2.598 -29.137
   81    HO3  A2G  11           HO3      A2G  11 -15.328  -3.243 -30.044
   82    H4   A2G  11           H4       A2G  11 -16.522  -2.622 -26.816
   83    HO4  A2G  11           HO4      A2G  11 -14.626  -0.952 -27.823
   84    H5   A2G  11           H5       A2G  11 -18.438  -1.177 -27.335
   85    H6   A2G  11           H6       A2G  11 -17.224  -1.177 -25.021
   86    H8   A2G  11           H8       A2G  11 -16.415  -1.843 -33.493
   87    H8A  A2G  11           H8A      A2G  11 -14.683  -1.694 -33.786
   88    H8B  A2G  11           H8B      A2G  11 -15.732  -0.289 -33.973
   89    H14  A2G  11           H14      A2G  11 -16.691   0.440 -25.484
   90    H15  A2G  11           H15      A2G  11 -19.381  -0.192 -25.821
  Start of MODEL   21
    1    H1   ACE   1           H1       ACE   1 -26.713  -5.739 -40.172
    2    H2   ACE   1           H2       ACE   1 -26.040  -4.111 -40.073
    3    H3   ACE   1           H3       ACE   1 -27.750  -4.381 -39.733
    4    HA   PRO   2           HA       PRO   2 -25.567  -6.841 -36.095
    5    HB2  PRO   2           HB2      PRO   2 -22.821  -5.970 -36.139
    6    HB3  PRO   2           HB3      PRO   2 -23.452  -7.616 -36.314
    7    HG2  PRO   2           HG2      PRO   2 -22.529  -5.750 -38.361
    8    HG3  PRO   2           HG3      PRO   2 -22.739  -7.505 -38.443
    9    HD2  PRO   2           HD2      PRO   2 -24.375  -5.738 -39.750
   10    HD3  PRO   2           HD3      PRO   2 -24.917  -7.340 -39.202
   11    H    THR   3           H        THR   3 -25.697  -5.903 -34.100
   12    HA   THR   3           HA       THR   3 -25.615  -2.981 -33.988
   13    HB   THR   3           HB       THR   3 -26.754  -3.226 -31.854
   14    HG1  THR   3           HG1      THR   3 -26.301  -4.954 -30.778
   15   HG21  THR   3          HG21      THR   3 -27.897  -3.664 -34.184
   16   HG22  THR   3          HG22      THR   3 -28.789  -3.982 -32.696
   17   HG23  THR   3          HG23      THR   3 -28.043  -5.313 -33.580
   18    H    THR   4           H        THR   4 -23.627  -2.175 -33.658
   19    HA   THR   4           HA       THR   4 -22.137  -3.142 -31.311
   20    HB   THR   4           HB       THR   4 -20.016  -2.989 -32.579
   21   HG21  THR   4          HG21      THR   4 -21.792  -4.795 -34.186
   22   HG22  THR   4          HG22      THR   4 -21.601  -5.096 -32.458
   23   HG23  THR   4          HG23      THR   4 -20.192  -5.112 -33.517
   24    H    THR   5           H        THR   5 -20.245  -1.556 -30.877
   25    HA   THR   5           HA       THR   5 -21.395   1.142 -30.920
   26    HB   THR   5           HB       THR   5 -19.600   1.617 -29.227
   27   HG21  THR   5          HG21      THR   5 -21.144  -0.837 -28.407
   28   HG22  THR   5          HG22      THR   5 -21.979   0.679 -28.750
   29   HG23  THR   5          HG23      THR   5 -20.779   0.605 -27.459
   30    HA   PRO   6           HA       PRO   6 -18.889   2.916 -34.025
   31    HB2  PRO   6           HB2      PRO   6 -17.809   4.993 -32.347
   32    HB3  PRO   6           HB3      PRO   6 -19.110   5.116 -33.541
   33    HG2  PRO   6           HG2      PRO   6 -19.268   4.895 -30.634
   34    HG3  PRO   6           HG3      PRO   6 -20.483   5.452 -31.793
   35    HD2  PRO   6           HD2      PRO   6 -20.677   3.073 -30.449
   36    HD3  PRO   6           HD3      PRO   6 -21.392   3.343 -32.054
   37    H    LEU   7           H        LEU   7 -16.843   2.602 -34.779
   38    HA   LEU   7           HA       LEU   7 -14.963   1.166 -33.190
   39    HB2  LEU   7           HB2      LEU   7 -15.278   1.039 -35.723
   40    HB3  LEU   7           HB3      LEU   7 -14.358   2.543 -35.805
   41    HG   LEU   7           HG       LEU   7 -12.848   0.951 -34.098
   42   HD11  LEU   7          HD11      LEU   7 -14.363  -0.949 -34.873
   43   HD12  LEU   7          HD12      LEU   7 -12.635  -1.203 -35.122
   44   HD13  LEU   7          HD13      LEU   7 -13.661  -0.734 -36.477
   45   HD21  LEU   7          HD21      LEU   7 -11.363   0.741 -36.159
   46   HD22  LEU   7          HD22      LEU   7 -11.863   2.383 -35.756
   47   HD23  LEU   7          HD23      LEU   7 -12.660   1.515 -37.068
   48    H    LYS   8           H        LYS   8 -12.898   1.803 -32.485
   49    HA   LYS   8           HA       LYS   8 -12.045   4.555 -32.690
   50    HB2  LYS   8           HB2      LYS   8 -13.842   4.287 -30.766
   51    HB3  LYS   8           HB3      LYS   8 -12.462   3.647 -29.874
   52    HG2  LYS   8           HG2      LYS   8 -12.571   6.337 -31.272
   53    HG3  LYS   8           HG3      LYS   8 -12.658   6.076 -29.530
   54    HD2  LYS   8           HD2      LYS   8 -10.401   4.830 -29.811
   55    HD3  LYS   8           HD3      LYS   8 -10.316   5.638 -31.377
   56    HE2  LYS   8           HE2      LYS   8 -10.116   6.786 -28.640
   57    HE3  LYS   8           HE3      LYS   8  -9.297   7.270 -30.125
   58    HZ1  LYS   8           HZ1      LYS   8 -10.841   8.960 -29.595
   59    HZ2  LYS   8           HZ2      LYS   8 -12.096   7.845 -29.335
   60    HZ3  LYS   8           HZ3      LYS   8 -11.499   8.107 -30.905
   61    HN1  NH2   9           HN1      NH2   9  -9.966   3.731 -33.401
   62    HN2  NH2   9           HN2      NH2   9  -8.891   3.216 -32.193
   63    H1   A2G  10           H1       A2G  10 -19.378  -1.296 -33.794
   64    H2   A2G  10           H2       A2G  10 -18.936  -0.523 -36.085
   65    HN2  A2G  10           HN2      A2G  10 -21.791  -0.243 -35.348
   66    H3   A2G  10           H3       A2G  10 -21.288  -2.269 -36.863
   67    HO3  A2G  10           HO3      A2G  10 -20.042  -0.175 -37.987
   68    H4   A2G  10           H4       A2G  10 -19.665  -3.666 -38.012
   69    HO4  A2G  10           HO4      A2G  10 -18.067  -2.326 -38.586
   70    H5   A2G  10           H5       A2G  10 -20.087  -4.218 -35.657
   71    H6   A2G  10           H6       A2G  10 -18.169  -5.568 -35.293
   72    H8   A2G  10           H8       A2G  10 -22.320   1.871 -34.553
   73    H8A  A2G  10           H8A      A2G  10 -22.303   2.473 -36.211
   74    H8B  A2G  10           H8B      A2G  10 -21.277   3.224 -34.988
   75    H14  A2G  10           H14      A2G  10 -18.217  -5.352 -37.042
   76    H15  A2G  10           H15      A2G  10 -16.874  -3.347 -36.353
   77    H1   A2G  11           H1       A2G  11 -17.518   1.065 -29.984
   78    H2   A2G  11           H2       A2G  11 -15.572  -0.258 -29.273
   79    HN2  A2G  11           HN2      A2G  11 -17.468  -1.905 -30.844
   80    H3   A2G  11           H3       A2G  11 -17.613  -2.288 -28.323
   81    HO3  A2G  11           HO3      A2G  11 -15.069  -2.544 -27.469
   82    H4   A2G  11           H4       A2G  11 -16.885  -1.726 -26.073
   83    HO4  A2G  11           HO4      A2G  11 -15.333   0.347 -27.197
   84    H5   A2G  11           H5       A2G  11 -18.717  -0.370 -26.982
   85    H6   A2G  11           H6       A2G  11 -17.276   0.233 -24.780
   86    H8   A2G  11           H8       A2G  11 -16.684  -2.796 -32.726
   87    H8A  A2G  11           H8A      A2G  11 -15.021  -2.478 -33.217
   88    H8B  A2G  11           H8B      A2G  11 -16.288  -1.308 -33.585
   89    H14  A2G  11           H14      A2G  11 -17.037   1.725 -25.691
   90    H15  A2G  11           H15      A2G  11 -19.038   2.236 -25.365
  Start of MODEL   22
    1    H1   ACE   1           H1       ACE   1 -28.795  -6.331 -37.511
    2    H2   ACE   1           H2       ACE   1 -28.620  -7.436 -36.148
    3    H3   ACE   1           H3       ACE   1 -27.743  -7.739 -37.648
    4    HA   PRO   2           HA       PRO   2 -24.103  -5.578 -36.541
    5    HB2  PRO   2           HB2      PRO   2 -24.365  -3.317 -38.307
    6    HB3  PRO   2           HB3      PRO   2 -23.346  -4.750 -38.507
    7    HG2  PRO   2           HG2      PRO   2 -25.926  -4.118 -39.718
    8    HG3  PRO   2           HG3      PRO   2 -24.702  -5.294 -40.216
    9    HD2  PRO   2           HD2      PRO   2 -27.115  -6.012 -39.137
   10    HD3  PRO   2           HD3      PRO   2 -25.646  -6.999 -38.975
   11    H    THR   3           H        THR   3 -24.253  -4.728 -34.524
   12    HA   THR   3           HA       THR   3 -25.130  -1.951 -34.269
   13    HB   THR   3           HB       THR   3 -26.402  -2.642 -32.139
   14    HG1  THR   3           HG1      THR   3 -27.136  -4.745 -32.141
   15   HG21  THR   3          HG21      THR   3 -27.507  -3.449 -34.844
   16   HG22  THR   3          HG22      THR   3 -27.464  -1.801 -34.217
   17   HG23  THR   3          HG23      THR   3 -28.454  -3.022 -33.419
   18    H    THR   4           H        THR   4 -22.599  -2.354 -34.206
   19    HA   THR   4           HA       THR   4 -21.750  -2.933 -31.446
   20    HB   THR   4           HB       THR   4 -19.440  -2.886 -32.456
   21   HG21  THR   4          HG21      THR   4 -21.069  -4.937 -32.249
   22   HG22  THR   4          HG22      THR   4 -19.596  -5.093 -33.209
   23   HG23  THR   4          HG23      THR   4 -21.145  -4.815 -34.007
   24    H    THR   5           H        THR   5 -19.683  -1.503 -30.906
   25    HA   THR   5           HA       THR   5 -20.642   1.268 -30.998
   26    HB   THR   5           HB       THR   5 -18.580   1.429 -29.318
   27   HG21  THR   5          HG21      THR   5 -21.225   0.109 -28.637
   28   HG22  THR   5          HG22      THR   5 -20.950   1.847 -28.756
   29   HG23  THR   5          HG23      THR   5 -20.154   0.914 -27.490
   30    HA   PRO   6           HA       PRO   6 -17.825   2.957 -33.870
   31    HB2  PRO   6           HB2      PRO   6 -16.541   4.776 -32.042
   32    HB3  PRO   6           HB3      PRO   6 -17.786   5.133 -33.248
   33    HG2  PRO   6           HG2      PRO   6 -18.044   4.752 -30.365
   34    HG3  PRO   6           HG3      PRO   6 -19.152   5.526 -31.507
   35    HD2  PRO   6           HD2      PRO   6 -19.669   3.110 -30.323
   36    HD3  PRO   6           HD3      PRO   6 -20.305   3.567 -31.919
   37    H    LEU   7           H        LEU   7 -15.839   2.382 -34.612
   38    HA   LEU   7           HA       LEU   7 -14.177   0.664 -33.064
   39    HB2  LEU   7           HB2      LEU   7 -12.676   0.727 -35.018
   40    HB3  LEU   7           HB3      LEU   7 -14.350   0.458 -35.505
   41    HG   LEU   7           HG       LEU   7 -13.120   3.218 -35.419
   42   HD11  LEU   7          HD11      LEU   7 -11.840   2.564 -37.170
   43   HD12  LEU   7          HD12      LEU   7 -13.347   2.509 -38.087
   44   HD13  LEU   7          HD13      LEU   7 -12.714   1.041 -37.342
   45   HD21  LEU   7          HD21      LEU   7 -15.041   3.221 -37.339
   46   HD22  LEU   7          HD22      LEU   7 -15.366   3.609 -35.650
   47   HD23  LEU   7          HD23      LEU   7 -15.688   1.986 -36.259
   48    H    LYS   8           H        LYS   8 -14.485   3.092 -31.686
   49    HA   LYS   8           HA       LYS   8 -11.712   3.769 -31.248
   50    HB2  LYS   8           HB2      LYS   8 -12.175   6.255 -31.534
   51    HB3  LYS   8           HB3      LYS   8 -12.039   5.321 -33.024
   52    HG2  LYS   8           HG2      LYS   8 -14.500   5.137 -33.134
   53    HG3  LYS   8           HG3      LYS   8 -14.635   6.084 -31.652
   54    HD2  LYS   8           HD2      LYS   8 -14.876   7.777 -33.207
   55    HD3  LYS   8           HD3      LYS   8 -13.121   7.790 -33.029
   56    HE2  LYS   8           HE2      LYS   8 -13.241   5.957 -34.939
   57    HE3  LYS   8           HE3      LYS   8 -14.787   6.732 -35.281
   58    HZ1  LYS   8           HZ1      LYS   8 -12.266   7.605 -36.020
   59    HZ2  LYS   8           HZ2      LYS   8 -12.804   8.689 -34.828
   60    HZ3  LYS   8           HZ3      LYS   8 -13.739   8.422 -36.221
   61    HN1  NH2   9           HN1      NH2   9 -13.375   3.096 -28.517
   62    HN2  NH2   9           HN2      NH2   9 -14.751   3.282 -29.495
   63    H1   A2G  10           H1       A2G  10 -18.602  -1.396 -33.780
   64    H2   A2G  10           H2       A2G  10 -17.939  -0.868 -36.087
   65    HN2  A2G  10           HN2      A2G  10 -20.834  -0.391 -35.685
   66    H3   A2G  10           H3       A2G  10 -20.312  -2.572 -36.895
   67    HO3  A2G  10           HO3      A2G  10 -18.938  -0.633 -38.093
   68    H4   A2G  10           H4       A2G  10 -18.680  -4.145 -37.771
   69    HO4  A2G  10           HO4      A2G  10 -16.727  -2.413 -36.666
   70    H5   A2G  10           H5       A2G  10 -19.315  -4.448 -35.418
   71    H6   A2G  10           H6       A2G  10 -17.554  -5.887 -34.819
   72    H8   A2G  10           H8       A2G  10 -21.356   1.798 -35.114
   73    H8A  A2G  10           H8A      A2G  10 -21.041   2.277 -36.782
   74    H8B  A2G  10           H8B      A2G  10 -20.179   3.065 -35.459
   75    H14  A2G  10           H14      A2G  10 -17.349  -5.745 -36.565
   76    H15  A2G  10           H15      A2G  10 -15.520  -5.298 -34.883
   77    H1   A2G  11           H1       A2G  11 -16.968   0.337 -28.755
   78    H2   A2G  11           H2       A2G  11 -15.834  -1.703 -27.984
   79    HN2  A2G  11           HN2      A2G  11 -17.185  -2.128 -30.584
   80    H3   A2G  11           H3       A2G  11 -18.463  -3.090 -28.578
   81    HO3  A2G  11           HO3      A2G  11 -16.704  -4.411 -28.915
   82    H4   A2G  11           H4       A2G  11 -18.655  -3.403 -26.175
   83    HO4  A2G  11           HO4      A2G  11 -16.331  -1.807 -25.938
   84    H5   A2G  11           H5       A2G  11 -19.599  -1.320 -27.068
   85    H6   A2G  11           H6       A2G  11 -19.120  -1.825 -24.455
   86    H8   A2G  11           H8       A2G  11 -15.881  -2.721 -32.300
   87    H8A  A2G  11           H8A      A2G  11 -14.139  -2.867 -32.064
   88    H8B  A2G  11           H8B      A2G  11 -14.862  -1.281 -32.329
   89    H14  A2G  11           H14      A2G  11 -18.227  -0.313 -24.625
   90    H15  A2G  11           H15      A2G  11 -20.934  -0.761 -25.341
  Start of MODEL   23
    1    H1   ACE   1           H1       ACE   1 -28.035  -7.839 -38.109
    2    H2   ACE   1           H2       ACE   1 -29.483  -7.541 -37.146
    3    H3   ACE   1           H3       ACE   1 -28.593  -9.052 -36.955
    4    HA   PRO   2           HA       PRO   2 -25.976  -7.689 -33.723
    5    HB2  PRO   2           HB2      PRO   2 -23.496  -7.525 -35.179
    6    HB3  PRO   2           HB3      PRO   2 -24.039  -8.803 -34.082
    7    HG2  PRO   2           HG2      PRO   2 -24.045  -8.728 -37.002
    8    HG3  PRO   2           HG3      PRO   2 -24.158 -10.114 -35.907
    9    HD2  PRO   2           HD2      PRO   2 -26.266  -9.217 -37.409
   10    HD3  PRO   2           HD3      PRO   2 -26.468 -10.048 -35.849
   11    H    THR   3           H        THR   3 -24.338  -5.929 -33.112
   12    HA   THR   3           HA       THR   3 -24.354  -3.600 -34.877
   13    HB   THR   3           HB       THR   3 -26.415  -3.245 -33.694
   14    HG1  THR   3           HG1      THR   3 -24.891  -1.484 -33.819
   15   HG21  THR   3          HG21      THR   3 -26.396  -3.203 -31.169
   16   HG22  THR   3          HG22      THR   3 -24.789  -3.927 -31.235
   17   HG23  THR   3          HG23      THR   3 -26.179  -4.804 -31.875
   18    H    THR   4           H        THR   4 -22.888  -1.928 -34.177
   19    HA   THR   4           HA       THR   4 -21.012  -2.704 -32.046
   20    HB   THR   4           HB       THR   4 -19.093  -2.189 -33.504
   21   HG21  THR   4          HG21      THR   4 -20.359  -4.512 -33.394
   22   HG22  THR   4          HG22      THR   4 -19.053  -4.262 -34.552
   23   HG23  THR   4          HG23      THR   4 -20.733  -4.142 -35.077
   24    H    THR   5           H        THR   5 -19.461  -0.872 -31.573
   25    HA   THR   5           HA       THR   5 -20.996   1.627 -31.512
   26    HB   THR   5           HB       THR   5 -18.847   2.159 -29.978
   27   HG21  THR   5          HG21      THR   5 -21.097   0.392 -28.996
   28   HG22  THR   5          HG22      THR   5 -21.323   2.096 -29.387
   29   HG23  THR   5          HG23      THR   5 -20.223   1.628 -28.091
   30    HA   PRO   6           HA       PRO   6 -18.805   3.956 -34.479
   31    HB2  PRO   6           HB2      PRO   6 -17.788   5.948 -32.663
   32    HB3  PRO   6           HB3      PRO   6 -19.166   6.074 -33.766
   33    HG2  PRO   6           HG2      PRO   6 -19.123   5.565 -30.892
   34    HG3  PRO   6           HG3      PRO   6 -20.450   6.124 -31.920
   35    HD2  PRO   6           HD2      PRO   6 -20.369   3.620 -30.811
   36    HD3  PRO   6           HD3      PRO   6 -21.204   3.981 -32.340
   37    H    LEU   7           H        LEU   7 -17.126   2.509 -34.972
   38    HA   LEU   7           HA       LEU   7 -15.037   1.462 -34.685
   39    HB2  LEU   7           HB2      LEU   7 -14.945   3.655 -36.114
   40    HB3  LEU   7           HB3      LEU   7 -14.029   4.285 -34.744
   41    HG   LEU   7           HG       LEU   7 -12.752   1.949 -35.019
   42   HD11  LEU   7          HD11      LEU   7 -13.663   2.635 -37.831
   43   HD12  LEU   7          HD12      LEU   7 -14.223   1.245 -36.901
   44   HD13  LEU   7          HD13      LEU   7 -12.531   1.358 -37.385
   45   HD21  LEU   7          HD21      LEU   7 -11.472   3.919 -35.089
   46   HD22  LEU   7          HD22      LEU   7 -12.381   4.572 -36.452
   47   HD23  LEU   7          HD23      LEU   7 -11.237   3.253 -36.706
   48    H    LYS   8           H        LYS   8 -12.779   3.241 -33.670
   49    HA   LYS   8           HA       LYS   8 -13.266   3.492 -30.834
   50    HB2  LYS   8           HB2      LYS   8 -12.863   0.997 -31.285
   51    HB3  LYS   8           HB3      LYS   8 -11.201   1.456 -31.658
   52    HG2  LYS   8           HG2      LYS   8 -10.990   1.051 -29.390
   53    HG3  LYS   8           HG3      LYS   8 -11.417   2.762 -29.348
   54    HD2  LYS   8           HD2      LYS   8 -13.891   1.797 -29.335
   55    HD3  LYS   8           HD3      LYS   8 -13.089   0.374 -28.669
   56    HE2  LYS   8           HE2      LYS   8 -11.910   2.179 -27.120
   57    HE3  LYS   8           HE3      LYS   8 -13.350   3.120 -27.506
   58    HZ1  LYS   8           HZ1      LYS   8 -13.633   0.320 -26.656
   59    HZ2  LYS   8           HZ2      LYS   8 -14.726   1.610 -26.495
   60    HZ3  LYS   8           HZ3      LYS   8 -13.360   1.518 -25.488
   61    HN1  NH2   9           HN1      NH2   9 -11.361   6.035 -31.524
   62    HN2  NH2   9           HN2      NH2   9 -11.503   5.199 -30.053
   63    H1   A2G  10           H1       A2G  10 -18.860  -0.329 -34.634
   64    H2   A2G  10           H2       A2G  10 -18.756   0.627 -36.896
   65    HN2  A2G  10           HN2      A2G  10 -21.571   0.398 -36.004
   66    H3   A2G  10           H3       A2G  10 -20.860  -1.439 -37.597
   67    HO3  A2G  10           HO3      A2G  10 -19.555  -0.143 -39.591
   68    H4   A2G  10           H4       A2G  10 -19.145  -2.485 -38.965
   69    HO4  A2G  10           HO4      A2G  10 -18.050  -0.293 -39.125
   70    H5   A2G  10           H5       A2G  10 -19.257  -3.224 -36.626
   71    H6   A2G  10           H6       A2G  10 -17.215  -4.346 -36.607
   72    H8   A2G  10           H8       A2G  10 -22.374   2.276 -34.931
   73    H8A  A2G  10           H8A      A2G  10 -22.455   3.133 -36.469
   74    H8B  A2G  10           H8B      A2G  10 -21.520   3.806 -35.135
   75    H14  A2G  10           H14      A2G  10 -17.286  -3.828 -38.291
   76    H15  A2G  10           H15      A2G  10 -15.712  -2.478 -37.953
   77    H1   A2G  11           H1       A2G  11 -16.998   1.245 -29.616
   78    H2   A2G  11           H2       A2G  11 -15.650  -0.602 -28.714
   79    HN2  A2G  11           HN2      A2G  11 -17.079  -1.442 -31.167
   80    H3   A2G  11           H3       A2G  11 -18.169  -2.259 -29.016
   81    HO3  A2G  11           HO3      A2G  11 -16.739  -3.723 -27.800
   82    H4   A2G  11           H4       A2G  11 -18.217  -2.337 -26.588
   83    HO4  A2G  11           HO4      A2G  11 -16.697  -1.176 -25.399
   84    H5   A2G  11           H5       A2G  11 -19.385  -0.445 -27.627
   85    H6   A2G  11           H6       A2G  11 -18.734  -0.634 -25.008
   86    H8   A2G  11           H8       A2G  11 -15.813  -2.072 -32.887
   87    H8A  A2G  11           H8A      A2G  11 -14.055  -2.015 -32.743
   88    H8B  A2G  11           H8B      A2G  11 -14.954  -0.555 -33.156
   89    H14  A2G  11           H14      A2G  11 -17.997   0.925 -25.379
   90    H15  A2G  11           H15      A2G  11 -20.514   0.451 -24.902
  Start of MODEL   24
    1    H1   ACE   1           H1       ACE   1 -27.146  -5.874 -31.712
    2    H2   ACE   1           H2       ACE   1 -26.099  -7.247 -31.349
    3    H3   ACE   1           H3       ACE   1 -27.732  -7.520 -31.959
    4    HA   PRO   2           HA       PRO   2 -26.669  -7.636 -36.203
    5    HB2  PRO   2           HB2      PRO   2 -27.818  -5.127 -37.030
    6    HB3  PRO   2           HB3      PRO   2 -28.478  -6.756 -37.241
    7    HG2  PRO   2           HG2      PRO   2 -29.150  -4.717 -35.262
    8    HG3  PRO   2           HG3      PRO   2 -30.066  -6.142 -35.771
    9    HD2  PRO   2           HD2      PRO   2 -28.861  -5.935 -33.320
   10    HD3  PRO   2           HD3      PRO   2 -29.132  -7.489 -34.143
   11    H    THR   3           H        THR   3 -26.530  -4.186 -35.261
   12    HA   THR   3           HA       THR   3 -24.021  -3.880 -36.732
   13    HB   THR   3           HB       THR   3 -25.044  -1.583 -35.203
   14    HG1  THR   3           HG1      THR   3 -27.012  -1.743 -35.857
   15   HG21  THR   3          HG21      THR   3 -24.565  -0.435 -37.256
   16   HG22  THR   3          HG22      THR   3 -24.546  -1.946 -38.164
   17   HG23  THR   3          HG23      THR   3 -23.262  -1.597 -37.006
   18    H    THR   4           H        THR   4 -22.264  -2.594 -35.657
   19    HA   THR   4           HA       THR   4 -21.820  -3.667 -32.950
   20    HB   THR   4           HB       THR   4 -19.418  -3.054 -33.421
   21   HG21  THR   4          HG21      THR   4 -19.033  -5.047 -34.555
   22   HG22  THR   4          HG22      THR   4 -20.393  -4.805 -35.650
   23   HG23  THR   4          HG23      THR   4 -20.680  -5.308 -33.984
   24    H    THR   5           H        THR   5 -20.130  -2.098 -31.759
   25    HA   THR   5           HA       THR   5 -21.584   0.432 -31.456
   26    HB   THR   5           HB       THR   5 -20.237   0.629 -29.352
   27   HG21  THR   5          HG21      THR   5 -21.521  -2.093 -29.440
   28   HG22  THR   5          HG22      THR   5 -22.499  -0.637 -29.635
   29   HG23  THR   5          HG23      THR   5 -21.574  -0.888 -28.154
   30    HA   PRO   6           HA       PRO   6 -18.781   3.084 -33.501
   31    HB2  PRO   6           HB2      PRO   6 -18.329   4.796 -31.229
   32    HB3  PRO   6           HB3      PRO   6 -19.379   5.083 -32.625
   33    HG2  PRO   6           HG2      PRO   6 -20.066   4.177 -29.936
   34    HG3  PRO   6           HG3      PRO   6 -21.097   4.883 -31.189
   35    HD2  PRO   6           HD2      PRO   6 -21.230   2.249 -30.451
   36    HD3  PRO   6           HD3      PRO   6 -21.652   2.825 -32.080
   37    H    LEU   7           H        LEU   7 -16.709   2.606 -33.926
   38    HA   LEU   7           HA       LEU   7 -14.996   1.324 -32.043
   39    HB2  LEU   7           HB2      LEU   7 -13.320   1.412 -33.791
   40    HB3  LEU   7           HB3      LEU   7 -14.874   0.998 -34.517
   41    HG   LEU   7           HG       LEU   7 -14.893   3.760 -34.587
   42   HD11  LEU   7          HD11      LEU   7 -12.142   2.880 -35.483
   43   HD12  LEU   7          HD12      LEU   7 -12.432   3.584 -33.892
   44   HD13  LEU   7          HD13      LEU   7 -12.766   4.525 -35.346
   45   HD21  LEU   7          HD21      LEU   7 -15.606   2.241 -36.385
   46   HD22  LEU   7          HD22      LEU   7 -13.925   1.802 -36.696
   47   HD23  LEU   7          HD23      LEU   7 -14.481   3.445 -37.016
   48    H    LYS   8           H        LYS   8 -13.040   2.099 -31.138
   49    HA   LYS   8           HA       LYS   8 -11.943   3.637 -29.804
   50    HB2  LYS   8           HB2      LYS   8 -10.969   3.966 -32.096
   51    HB3  LYS   8           HB3      LYS   8 -12.099   5.302 -32.325
   52    HG2  LYS   8           HG2      LYS   8 -10.619   6.649 -31.294
   53    HG3  LYS   8           HG3      LYS   8 -10.908   5.741 -29.809
   54    HD2  LYS   8           HD2      LYS   8  -8.527   5.702 -30.264
   55    HD3  LYS   8           HD3      LYS   8  -9.171   4.087 -30.562
   56    HE2  LYS   8           HE2      LYS   8  -8.348   4.185 -32.653
   57    HE3  LYS   8           HE3      LYS   8  -9.451   5.521 -32.989
   58    HZ1  LYS   8           HZ1      LYS   8  -6.636   5.612 -32.131
   59    HZ2  LYS   8           HZ2      LYS   8  -7.669   6.916 -31.785
   60    HZ3  LYS   8           HZ3      LYS   8  -7.397   6.447 -33.396
   61    HN1  NH2   9           HN1      NH2   9 -14.186   6.905 -30.558
   62    HN2  NH2   9           HN2      NH2   9 -12.502   6.756 -30.703
   63    H1   A2G  10           H1       A2G  10 -18.733  -1.135 -34.218
   64    H2   A2G  10           H2       A2G  10 -17.757  -0.028 -36.184
   65    HN2  A2G  10           HN2      A2G  10 -20.711  -0.188 -36.310
   66    H3   A2G  10           H3       A2G  10 -19.479  -1.928 -37.799
   67    HO3  A2G  10           HO3      A2G  10 -18.280  -0.939 -39.508
   68    H4   A2G  10           H4       A2G  10 -17.396  -2.964 -38.502
   69    HO4  A2G  10           HO4      A2G  10 -16.356  -0.717 -37.761
   70    H5   A2G  10           H5       A2G  10 -18.404  -3.858 -36.451
   71    H6   A2G  10           H6       A2G  10 -16.337  -4.771 -35.391
   72    H8   A2G  10           H8       A2G  10 -21.613   1.906 -35.290
   73    H8A  A2G  10           H8A      A2G  10 -21.554   2.253 -37.019
   74    H8B  A2G  10           H8B      A2G  10 -20.796   3.356 -35.872
   75    H14  A2G  10           H14      A2G  10 -16.271  -4.844 -37.151
   76    H15  A2G  10           H15      A2G  10 -14.758  -3.393 -35.388
   77    H1   A2G  11           H1       A2G  11 -17.977   0.472 -29.816
   78    H2   A2G  11           H2       A2G  11 -16.031  -0.774 -28.982
   79    HN2  A2G  11           HN2      A2G  11 -17.392  -2.188 -31.200
   80    H3   A2G  11           H3       A2G  11 -17.913  -3.146 -28.862
   81    HO3  A2G  11           HO3      A2G  11 -16.047  -4.082 -27.877
   82    H4   A2G  11           H4       A2G  11 -17.687  -2.999 -26.447
   83    HO4  A2G  11           HO4      A2G  11 -16.614  -0.684 -26.023
   84    H5   A2G  11           H5       A2G  11 -19.493  -1.667 -27.443
   85    H6   A2G  11           H6       A2G  11 -18.799  -1.480 -24.938
   86    H8   A2G  11           H8       A2G  11 -16.269  -2.534 -33.033
   87    H8A  A2G  11           H8A      A2G  11 -14.517  -2.347 -32.980
   88    H8B  A2G  11           H8B      A2G  11 -15.533  -0.987 -33.453
   89    H14  A2G  11           H14      A2G  11 -18.200   0.118 -25.383
   90    H15  A2G  11           H15      A2G  11 -20.629  -0.258 -26.432