*HEADER    TRANSFERASE                             31-JUL-17   5Y3U              
*TITLE     NMR-BASED MODEL OF THE 22 AMINO ACID PEPTIDE IN POLYSIALYLTRANSFERASE 
*TITLE    2 DOMAIN (PSTD) OF THE POLYSIALYLTRANSFERASE ST8SIA IV IN THE PRESENCE 
*TITLE    3 OF POLYSIALIC ACID (POLYSIA)                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PSTD-22AA-POLYSIA;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 258-279;                                      
*COMPND   5 SYNONYM: CMP-N-ACETYLNEURAMINATE-POLY-ALPHA-2,8-SIALYLTRANSFERASE;   
*COMPND   6 EC: 2.4.99.-;                                                        
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    POLYSIALIC ACID (POLYSIA), POLYSIALYLTRANSFERASE (POLYST),            
*KEYWDS   2 POLYSIALYLTRANSFERASE DOMAIN (PSTD), TRANSFERASE                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.M.LIAO,X.H.LIU,B.LU,L.X.PENG,D.CHEN,R.B.HUANG,G.P.ZHOU              
*REVDAT   1   29-NOV-17 5Y3U    0                                                
# Restraints file 1: 22pep_bound_dihedral.tbl
 ASSIGN  (segid "   A" and resid 2    and name C   ) (segid "   A" and resid 3    and name N   )
         (segid "   A" and resid 3    and name CA  ) (segid "   A" and resid 3    and name C   )  1.00 -64.62 25.38 2

 ASSIGN  (segid "   A" and resid 3    and name N   ) (segid "   A" and resid 3    and name CA  )
         (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )  1.00 -44.55 25.45 2

 ASSIGN  (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )
         (segid "   A" and resid 4    and name CA  ) (segid "   A" and resid 4    and name C   )  1.00 -61.77 18.23 2

 ASSIGN  (segid "   A" and resid 4    and name N   ) (segid "   A" and resid 4    and name CA  )
         (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )  1.00 -44.08 25.92 2

 ASSIGN  (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )
         (segid "   A" and resid 5    and name CA  ) (segid "   A" and resid 5    and name C   )  1.00 -64.81 15.19 2

 ASSIGN  (segid "   A" and resid 5    and name N   ) (segid "   A" and resid 5    and name CA  )
         (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )  1.00 -44.50 25.50 2

 ASSIGN  (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )
         (segid "   A" and resid 6    and name CA  ) (segid "   A" and resid 6    and name C   )  1.00 -64.83 25.17 2

 ASSIGN  (segid "   A" and resid 6    and name N   ) (segid "   A" and resid 6    and name CA  )
         (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )  1.00 -42.99 27.01 2

 ASSIGN  (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )
         (segid "   A" and resid 7    and name CA  ) (segid "   A" and resid 7    and name C   )  1.00 -63.43 26.57 2

 ASSIGN  (segid "   A" and resid 7    and name N   ) (segid "   A" and resid 7    and name CA  )
         (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )  1.00 -43.65 26.35 2

 ASSIGN  (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )
         (segid "   A" and resid 8    and name CA  ) (segid "   A" and resid 8    and name C   )  1.00 -59.31 20.69 2

 ASSIGN  (segid "   A" and resid 8    and name N   ) (segid "   A" and resid 8    and name CA  )
         (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )  1.00 -41.27 28.73 2

 ASSIGN  (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )
         (segid "   A" and resid 9    and name CA  ) (segid "   A" and resid 9    and name C   )  1.00 -60.77 29.23 2

 ASSIGN  (segid "   A" and resid 9    and name N   ) (segid "   A" and resid 9    and name CA  )
         (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )  1.00 -36.18 33.82 2

 ASSIGN  (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )
         (segid "   A" and resid 10   and name CA  ) (segid "   A" and resid 10   and name C   )  1.00 -57.44 32.56 2

 ASSIGN  (segid "   A" and resid 10   and name N   ) (segid "   A" and resid 10   and name CA  )
         (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )  1.00 -43.05 26.95 2

 ASSIGN  (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )
         (segid "   A" and resid 11   and name CA  ) (segid "   A" and resid 11   and name C   )  1.00 -58.28 21.72 2

 ASSIGN  (segid "   A" and resid 11   and name N   ) (segid "   A" and resid 11   and name CA  )
         (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )  1.00 -44.45 25.55 2

 ASSIGN  (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )
         (segid "   A" and resid 12   and name CA  ) (segid "   A" and resid 12   and name C   )  1.00 -58.65 31.35 2

 ASSIGN  (segid "   A" and resid 12   and name N   ) (segid "   A" and resid 12   and name CA  )
         (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )  1.00 -35.65 24.35 2

 ASSIGN  (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )
         (segid "   A" and resid 13   and name CA  ) (segid "   A" and resid 13   and name C   )  1.00 -71.17 18.83 2

 ASSIGN  (segid "   A" and resid 13   and name N   ) (segid "   A" and resid 13   and name CA  )
         (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )  1.00 -32.19 27.81 2

 ASSIGN  (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )
         (segid "   A" and resid 14   and name CA  ) (segid "   A" and resid 14   and name C   )  1.00 -63.95 36.05 2

 ASSIGN  (segid "   A" and resid 14   and name N   ) (segid "   A" and resid 14   and name CA  )
         (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )  1.00 -32.59 37.41 2

 ASSIGN  (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )
         (segid "   A" and resid 15   and name CA  ) (segid "   A" and resid 15   and name C   )  1.00 -75.13 44.87 2

 ASSIGN  (segid "   A" and resid 15   and name N   ) (segid "   A" and resid 15   and name CA  )
         (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )  1.00 -15.13 24.87 2

 ASSIGN  (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )
         (segid "   A" and resid 16   and name CA  ) (segid "   A" and resid 16   and name C   )  1.00 -70.34 29.66 2

 ASSIGN  (segid "   A" and resid 16   and name N   ) (segid "   A" and resid 16   and name CA  )
         (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )  1.00 145.24 35.24 2

 ASSIGN  (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )
         (segid "   A" and resid 17   and name CA  ) (segid "   A" and resid 17   and name C   )  1.00 -55.48 34.52 2

 ASSIGN  (segid "   A" and resid 17   and name N   ) (segid "   A" and resid 17   and name CA  )
         (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )  1.00 137.61 17.61 2

 ASSIGN  (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )
         (segid "   A" and resid 19   and name CA  ) (segid "   A" and resid 19   and name C   )  1.00 -72.66 37.34 2

 ASSIGN  (segid "   A" and resid 19   and name N   ) (segid "   A" and resid 19   and name CA  )
         (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )  1.00 -30.57 39.43 2

 ASSIGN  (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )
         (segid "   A" and resid 20   and name CA  ) (segid "   A" and resid 20   and name C   )  1.00 -74.97 25.03 2

 ASSIGN  (segid "   A" and resid 20   and name N   ) (segid "   A" and resid 20   and name CA  )
         (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )  1.00 154.95 44.95 2

# Restraints file 2: 22pep_bound_ambig.tbl
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    6 and name   HA) 2.323 0.675 0.675 weight 1.000 ! spec=NOE, no=23, id=10, vol=5.454181e+06
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name   HA)
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name   HA)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    7 and name   HA) 2.937 1.078 1.078 weight 1.000 ! spec=NOE, no=25, id=12, vol=1.309010e+06
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid    9 and name  HA1)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name   HA) 1.988 0.494 0.494 weight 1.000 ! spec=NOE, no=27, id=14, vol=1.341999e+07
    or (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    9 and name  HA1)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    3 and name   HA) 2.362 0.697 0.697 weight 1.000 ! spec=NOE, no=31, id=18, vol=4.347989e+06
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name   HA)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    5 and name   HA) 3.184 1.267 1.267 weight 1.000 ! spec=NOE, no=140, id=100, vol=8.024979e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    5 and name   HA)
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   10 and name  HB2) 2.235 0.624 0.624 weight 1.000 ! spec=NOE, no=186, id=129, vol=6.752307e+06
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name  HB2)
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   10 and name  HB1)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name  HB1)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    8 and name  HB2) 3.678 1.691 1.691 weight 1.000 ! spec=NOE, no=236, id=165, vol=2.980132e+05
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    8 and name  HG1)
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   12 and name  HB1)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB1) 2.474 0.765 3.526 weight 1.000 ! spec=NOE, no=240, id=169, vol=3.630190e+06
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name   HB)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HD1) 3.432 1.473 1.473 weight 1.000 ! spec=NOE, no=272, id=198, vol=5.319814e+05
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HD2)
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HE3) 2.963 1.097 1.097 weight 1.000 ! spec=NOE, no=362, id=253, vol=1.191634e+06
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name  HE3)
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name  HG1) 2.148 0.577 0.577 weight 1.000 ! spec=NOE, no=466, id=323, vol=8.889508e+06
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name  HB2)
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    8 and name  HG1) 2.221 0.617 0.617 weight 1.000 ! spec=NOE, no=467, id=324, vol=6.800002e+06
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name   HB)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    8 and name  HG1) 2.525 0.797 3.475 weight 1.000 ! spec=NOE, no=468, id=325, vol=3.542125e+06
    or (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    2 and name  HB2)
assign (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    8 and name  HG1) 2.349 0.690 0.690 weight 1.000 ! spec=NOE, no=469, id=326, vol=5.168247e+06
    or (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    8 and name  HB2)
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name  HB1) 2.296 0.659 0.659 weight 1.000 ! spec=NOE, no=470, id=327, vol=5.884826e+06
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HB2)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name  HD1) 2.680 0.898 0.898 weight 1.000 ! spec=NOE, no=498, id=342, vol=2.381349e+06
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name  HD2)
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name HG21) 2.098 0.550 0.550 weight 1.000 ! spec=NOE, no=516, id=356, vol=9.409953e+06
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name HG22)
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name HG23)
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name HG12)
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name HG11)
    or (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name HG13)
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name HD23) 2.061 0.531 0.531 weight 1.000 ! spec=NOE, no=522, id=362, vol=1.105247e+07
    or (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name HD21)
    or (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name HD22)
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name HG22) 1.941 0.471 0.471 weight 1.000 ! spec=NOE, no=524, id=363, vol=1.508626e+07
    or (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name HG23)
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   12 and name   HA) 2.802 0.982 3.198 weight 1.000 ! spec=NOE, no=533, id=369, vol=1.750859e+06
    or (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   18 and name   HA)
assign (segid "   A" and resid   16 and name   HB) (segid "   A" and resid   16 and name HG12) 2.014 0.507 0.507 weight 1.000 ! spec=NOE, no=605, id=386, vol=1.221852e+07
    or (segid "   A" and resid   16 and name   HB) (segid "   A" and resid   16 and name HG11)
    or (segid "   A" and resid   16 and name   HB) (segid "   A" and resid   16 and name HG13)
    or (segid "   A" and resid   16 and name   HB) (segid "   A" and resid   16 and name HG21)
    or (segid "   A" and resid   16 and name   HB) (segid "   A" and resid   16 and name HG22)
    or (segid "   A" and resid   16 and name   HB) (segid "   A" and resid   16 and name HG23)
assign (segid "   A" and resid    4 and name   HB) (segid "   A" and resid    4 and name HG22) 2.192 0.601 0.601 weight 1.000 ! spec=NOE, no=623, id=403, vol=7.568258e+06
    or (segid "   A" and resid    4 and name   HB) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    4 and name   HB) (segid "   A" and resid    4 and name HG23)
    or (segid "   A" and resid    8 and name  HG1) (segid "   A" and resid    4 and name HG22)
    or (segid "   A" and resid    8 and name  HG1) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    8 and name  HG1) (segid "   A" and resid    4 and name HG23)
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    2 and name  HB2) 1.951 0.476 0.476 weight 1.000 ! spec=NOE, no=639, id=416, vol=1.617017e+07
    or (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid    8 and name  HB2)
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   15 and name  HD1) 2.732 0.933 0.933 weight 1.000 ! spec=NOE, no=645, id=421, vol=2.186136e+06
    or (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   15 and name  HD2)
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   16 and name HG12) 3.204 1.283 1.283 weight 1.000 ! spec=NOE, no=665, id=434, vol=7.770497e+05
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   16 and name HG11)
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   16 and name HG13)
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   16 and name HG21)
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   16 and name HG22)
    or (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   16 and name HG23)
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    2 and name  HB1) 3.142 1.234 1.234 weight 1.000 ! spec=NOE, no=671, id=438, vol=8.665675e+05
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    8 and name  HB1)
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    6 and name  HB1) 3.293 1.356 1.356 weight 1.000 ! spec=NOE, no=707, id=447, vol=6.907362e+05
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    6 and name  HB3)
    or (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   18 and name HG12)
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    7 and name HG21) 3.629 1.647 1.647 weight 1.000 ! spec=NOE, no=750, id=465, vol=3.679746e+05
    or (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    7 and name HG22)
    or (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid    7 and name HG22)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB1) 2.631 0.865 0.865 weight 1.000 ! spec=NOE, no=784, id=486, vol=2.687226e+06
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB1)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB2) 2.728 0.930 0.930 weight 1.000 ! spec=NOE, no=785, id=487, vol=2.119565e+06
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB2)
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid    8 and name   HA) 2.729 0.931 3.271 weight 1.000 ! spec=NOE, no=793, id=495, vol=2.086275e+06
    or (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   11 and name  HB1)
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   10 and name   HN) 3.736 1.745 1.745 weight 1.000 ! spec=NOE, no=806, id=504, vol=2.991670e+05
    or (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   10 and name   HN)
# Restraints file 3: 22pep_bound_unambig.tbl
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HN) 2.661 0.885 0.885 weight 1.000 ! spec=NOE, no=1, id=0, vol=2.244139e+06
assign (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   11 and name  HD1) 2.098 0.550 0.550 weight 1.000 ! spec=NOE, no=2, id=1, vol=7.561463e+06
assign (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   11 and name  HZ2) 2.462 0.757 0.757 weight 1.000 ! spec=NOE, no=3, id=2, vol=3.081222e+06
assign (segid "   A" and resid   11 and name  HH2) (segid "   A" and resid   11 and name  HZ3) 2.067 0.534 0.534 weight 1.000 ! spec=NOE, no=8, id=4, vol=1.011189e+07
assign (segid "   A" and resid   11 and name  HE3) (segid "   A" and resid   11 and name  HB2) 2.615 0.855 0.855 weight 1.000 ! spec=NOE, no=17, id=5, vol=2.646192e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB2) 2.499 0.781 3.501 weight 1.000 ! spec=NOE, no=19, id=6, vol=3.575329e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HB1) 2.468 0.761 0.761 weight 1.000 ! spec=NOE, no=20, id=7, vol=3.768756e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name   HA) 2.810 0.987 0.987 weight 1.000 ! spec=NOE, no=22, id=9, vol=1.598553e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HB2) 2.351 0.691 0.691 weight 1.000 ! spec=NOE, no=24, id=11, vol=5.099237e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid    9 and name  HA1) 2.947 1.086 1.086 weight 1.000 ! spec=NOE, no=26, id=13, vol=1.294860e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   11 and name   HN) 2.644 0.874 0.874 weight 1.000 ! spec=NOE, no=28, id=15, vol=2.372705e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB1) 2.132 0.568 0.568 weight 1.000 ! spec=NOE, no=30, id=17, vol=7.698597e+06
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    6 and name  HB3)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HA) 2.861 1.023 1.023 weight 1.000 ! spec=NOE, no=32, id=19, vol=1.431559e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    4 and name   HA) 3.379 1.427 1.427 weight 1.000 ! spec=NOE, no=33, id=20, vol=5.282481e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name   HA) 3.341 1.395 1.395 weight 1.000 ! spec=NOE, no=34, id=21, vol=5.753868e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name  HB2) 2.533 0.802 0.802 weight 1.000 ! spec=NOE, no=35, id=22, vol=2.897208e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HB2) 2.422 0.733 0.733 weight 1.000 ! spec=NOE, no=36, id=23, vol=3.983298e+06
assign (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    5 and name  HB2) 2.409 0.726 0.726 weight 1.000 ! spec=NOE, no=38, id=25, vol=3.424802e+06
assign (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    5 and name   HA) 2.691 0.905 3.309 weight 1.000 ! spec=NOE, no=39, id=26, vol=1.776973e+06
assign (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    3 and name   HA) 3.499 1.531 2.501 weight 1.000 ! spec=NOE, no=40, id=27, vol=3.794705e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name  HD2) 3.479 1.513 1.513 weight 1.000 ! spec=NOE, no=42, id=29, vol=4.312392e+05
assign (segid "   A" and resid   11 and name  HE3) (segid "   A" and resid   11 and name   HA) 2.565 0.822 3.435 weight 1.000 ! spec=NOE, no=44, id=30, vol=2.915650e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    5 and name   HA) 2.775 0.962 0.962 weight 1.000 ! spec=NOE, no=45, id=31, vol=1.957475e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    3 and name   HA) 3.172 1.258 1.258 weight 1.000 ! spec=NOE, no=46, id=32, vol=7.926035e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name   HA) 2.850 1.015 1.015 weight 1.000 ! spec=NOE, no=47, id=33, vol=1.469870e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name   HA) 2.433 0.740 0.740 weight 1.000 ! spec=NOE, no=48, id=34, vol=3.715373e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name   HN) 2.811 0.988 0.988 weight 1.000 ! spec=NOE, no=49, id=35, vol=1.726038e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HA) 2.607 0.849 0.849 weight 1.000 ! spec=NOE, no=51, id=37, vol=2.457577e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name   HB) 2.282 0.651 0.651 weight 1.000 ! spec=NOE, no=52, id=38, vol=5.537126e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name   HA) 2.651 0.879 0.879 weight 1.000 ! spec=NOE, no=53, id=39, vol=2.273351e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    4 and name   HN) 3.018 1.139 1.139 weight 1.000 ! spec=NOE, no=54, id=40, vol=9.840668e+05
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name  HB1) 2.238 0.626 0.626 weight 1.000 ! spec=NOE, no=55, id=41, vol=6.025670e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name HD13) 3.125 1.221 1.221 weight 1.000 ! spec=NOE, no=56, id=42, vol=9.200155e+05
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name HD11)
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name HD12)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name HD21) 3.185 1.268 1.268 weight 1.000 ! spec=NOE, no=57, id=43, vol=8.267538e+05
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name HD23)
    or (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    3 and name HD22)
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name   HA) 2.581 0.833 0.833 weight 1.000 ! spec=NOE, no=58, id=44, vol=2.561323e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name   HA) 2.618 0.857 0.857 weight 1.000 ! spec=NOE, no=59, id=45, vol=2.452042e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name HG21) 2.184 0.596 0.596 weight 1.000 ! spec=NOE, no=60, id=46, vol=7.008075e+06
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name HG22)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name HG12) 2.425 0.735 3.575 weight 1.000 ! spec=NOE, no=62, id=47, vol=4.015586e+06
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    7 and name   HB) 2.316 0.671 0.671 weight 1.000 ! spec=NOE, no=63, id=48, vol=5.236082e+06
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB1) 2.364 0.699 0.699 weight 1.000 ! spec=NOE, no=64, id=49, vol=4.534644e+06
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name  HB3)
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB1) 2.581 0.833 0.833 weight 1.000 ! spec=NOE, no=70, id=50, vol=2.888839e+06
assign (segid "   A" and resid    9 and name   HN) (segid "   A" and resid    8 and name  HB2) 2.889 1.043 1.043 weight 1.000 ! spec=NOE, no=71, id=51, vol=1.437209e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name   HB) 2.540 0.806 0.806 weight 1.000 ! spec=NOE, no=73, id=52, vol=2.991763e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HD2) 2.798 0.979 0.979 weight 1.000 ! spec=NOE, no=76, id=55, vol=1.594377e+06
    or (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   10 and name  HD1)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   10 and name  HD2) 2.999 1.124 1.124 weight 1.000 ! spec=NOE, no=79, id=58, vol=9.776982e+05
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   10 and name  HD1)
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   14 and name HD21) 3.411 1.454 1.454 weight 1.000 ! spec=NOE, no=87, id=62, vol=5.243784e+05
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   14 and name HD21)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    4 and name   HN) 3.566 1.590 1.590 weight 1.000 ! spec=NOE, no=92, id=64, vol=3.680526e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   11 and name  HE3) 3.163 1.250 1.250 weight 1.000 ! spec=NOE, no=95, id=66, vol=7.637692e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HE3) 3.127 1.222 2.873 weight 1.000 ! spec=NOE, no=96, id=67, vol=8.647528e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name   HA) 2.489 0.774 3.511 weight 1.000 ! spec=NOE, no=98, id=69, vol=3.378582e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name   HA) 2.460 0.757 0.757 weight 1.000 ! spec=NOE, no=99, id=70, vol=3.496735e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    5 and name   HA) 3.153 1.243 1.243 weight 1.000 ! spec=NOE, no=101, id=71, vol=8.217277e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    6 and name   HN) 3.569 1.593 1.593 weight 1.000 ! spec=NOE, no=102, id=72, vol=3.803874e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    4 and name HD12) 3.617 1.635 1.635 weight 1.000 ! spec=NOE, no=105, id=73, vol=3.058097e+05
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    4 and name HD13)
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    4 and name HD11)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    4 and name HG22) 3.552 1.577 1.577 weight 1.000 ! spec=NOE, no=106, id=74, vol=3.638485e+05
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    4 and name HG23)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    4 and name HD12) 3.424 1.466 1.466 weight 1.000 ! spec=NOE, no=107, id=75, vol=4.439722e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    4 and name HD13)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    4 and name HD11)
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    4 and name HG22) 3.417 1.460 1.460 weight 1.000 ! spec=NOE, no=108, id=76, vol=4.697651e+05
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    4 and name HG23)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name HG21) 2.732 0.933 3.268 weight 1.000 ! spec=NOE, no=109, id=77, vol=1.884659e+06
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name HG22)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name HG12) 2.664 0.887 0.887 weight 1.000 ! spec=NOE, no=111, id=78, vol=2.193379e+06
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    6 and name  HB1) 3.252 1.322 2.748 weight 1.000 ! spec=NOE, no=112, id=79, vol=6.873169e+05
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    6 and name  HB3)
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HG2) 2.931 1.074 1.074 weight 1.000 ! spec=NOE, no=113, id=80, vol=1.314916e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HB1) 2.305 0.664 0.664 weight 1.000 ! spec=NOE, no=114, id=81, vol=5.446077e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    8 and name  HG1) 2.673 0.893 0.893 weight 1.000 ! spec=NOE, no=115, id=82, vol=2.214484e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name   HA) 2.657 0.882 0.882 weight 1.000 ! spec=NOE, no=116, id=83, vol=2.279064e+06
assign (segid "   A" and resid   11 and name  HE3) (segid "   A" and resid   12 and name   HA) 2.714 0.921 0.921 weight 1.000 ! spec=NOE, no=117, id=84, vol=2.016854e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name   HB) 2.508 0.786 0.786 weight 1.000 ! spec=NOE, no=118, id=85, vol=3.220516e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name   HA) 2.542 0.808 0.808 weight 1.000 ! spec=NOE, no=119, id=86, vol=3.014729e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HA) 2.771 0.960 0.960 weight 1.000 ! spec=NOE, no=120, id=87, vol=1.830194e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   22 and name  HB1) 2.983 1.112 1.112 weight 1.000 ! spec=NOE, no=121, id=88, vol=1.142215e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name  HD2) 3.355 1.407 1.407 weight 1.000 ! spec=NOE, no=122, id=89, vol=5.767615e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name  HD1) 3.590 1.611 1.611 weight 1.000 ! spec=NOE, no=123, id=90, vol=3.760879e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   17 and name  HD1) 3.280 1.345 1.345 weight 1.000 ! spec=NOE, no=124, id=91, vol=6.498245e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HD1) 3.500 1.531 2.500 weight 1.000 ! spec=NOE, no=125, id=92, vol=4.436637e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   17 and name  HD2) 3.189 1.271 1.271 weight 1.000 ! spec=NOE, no=128, id=93, vol=7.599181e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HD2) 3.686 1.698 1.698 weight 1.000 ! spec=NOE, no=129, id=94, vol=3.263476e+05
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    4 and name   HA) 3.059 1.169 1.169 weight 1.000 ! spec=NOE, no=133, id=95, vol=9.465941e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    4 and name   HA) 2.674 0.894 0.894 weight 1.000 ! spec=NOE, no=134, id=96, vol=2.228649e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name   HA) 2.431 0.738 0.738 weight 1.000 ! spec=NOE, no=137, id=97, vol=3.871691e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name   HA) 2.146 0.576 3.854 weight 1.000 ! spec=NOE, no=138, id=98, vol=7.384183e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name   HA) 2.531 0.801 0.801 weight 1.000 ! spec=NOE, no=139, id=99, vol=3.039111e+06
assign (segid "   A" and resid   10 and name   HN) (segid "   A" and resid   11 and name   HA) 3.383 1.430 2.617 weight 1.000 ! spec=NOE, no=141, id=101, vol=5.952532e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name   HA) 2.708 0.917 0.917 weight 1.000 ! spec=NOE, no=143, id=102, vol=2.039221e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name   HA) 2.486 0.773 0.773 weight 1.000 ! spec=NOE, no=144, id=103, vol=3.421805e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name   HA) 2.250 0.633 0.633 weight 1.000 ! spec=NOE, no=147, id=104, vol=5.847581e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name   HA) 2.252 0.634 0.634 weight 1.000 ! spec=NOE, no=148, id=105, vol=5.741370e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   11 and name   HA) 3.443 1.482 1.482 weight 1.000 ! spec=NOE, no=150, id=106, vol=4.811808e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name   HA) 2.595 0.842 0.842 weight 1.000 ! spec=NOE, no=151, id=107, vol=2.583906e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name   HA) 2.364 0.698 3.636 weight 1.000 ! spec=NOE, no=153, id=108, vol=4.413884e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name   HB) 2.891 1.044 1.044 weight 1.000 ! spec=NOE, no=154, id=109, vol=1.339758e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name   HA) 2.650 0.878 0.878 weight 1.000 ! spec=NOE, no=155, id=110, vol=2.211590e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   12 and name   HA) 3.572 1.595 1.595 weight 1.000 ! spec=NOE, no=156, id=111, vol=4.091203e+05
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   11 and name   HA) 2.601 0.846 3.399 weight 1.000 ! spec=NOE, no=157, id=112, vol=2.243470e+06
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   11 and name   HA) 2.939 1.080 1.080 weight 1.000 ! spec=NOE, no=159, id=113, vol=1.255967e+06
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   11 and name   HA)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   10 and name   HA) 3.396 1.441 2.604 weight 1.000 ! spec=NOE, no=160, id=114, vol=4.473360e+05
assign (segid "   A" and resid   14 and name HD22) (segid "   A" and resid   10 and name   HA) 3.246 1.317 1.317 weight 1.000 ! spec=NOE, no=161, id=115, vol=6.994673e+05
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   10 and name   HA) 2.409 0.725 0.725 weight 1.000 ! spec=NOE, no=162, id=116, vol=4.018108e+06
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name   HA)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    8 and name   HA) 2.920 1.066 1.066 weight 1.000 ! spec=NOE, no=163, id=117, vol=1.161614e+06
assign (segid "   A" and resid   11 and name  HZ3) (segid "   A" and resid   12 and name   HA) 3.546 1.572 1.572 weight 1.000 ! spec=NOE, no=164, id=118, vol=4.014875e+05
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    8 and name   HA) 3.577 1.599 1.599 weight 1.000 ! spec=NOE, no=165, id=119, vol=3.609800e+05
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    8 and name   HA)
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    7 and name   HA) 2.826 0.998 0.998 weight 1.000 ! spec=NOE, no=166, id=120, vol=1.584988e+06
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    7 and name   HA)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    7 and name   HA) 3.274 1.340 1.340 weight 1.000 ! spec=NOE, no=167, id=121, vol=5.939177e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HD1) 3.715 1.725 1.725 weight 1.000 ! spec=NOE, no=173, id=122, vol=3.072831e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HB2) 2.703 0.913 0.913 weight 1.000 ! spec=NOE, no=176, id=123, vol=2.237723e+06
assign (segid "   A" and resid   11 and name  HZ3) (segid "   A" and resid   11 and name  HB2) 3.790 1.795 1.795 weight 1.000 ! spec=NOE, no=178, id=124, vol=2.976474e+05
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   11 and name  HB1) 3.478 1.512 1.512 weight 1.000 ! spec=NOE, no=179, id=125, vol=4.902748e+05
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   11 and name  HB1)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   10 and name  HB2) 3.400 1.445 1.445 weight 1.000 ! spec=NOE, no=183, id=126, vol=5.107094e+05
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   10 and name  HB2) 2.250 0.633 0.633 weight 1.000 ! spec=NOE, no=184, id=127, vol=6.766690e+06
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   10 and name  HB2)
assign (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid   10 and name  HB2) 3.023 1.142 2.977 weight 1.000 ! spec=NOE, no=185, id=128, vol=1.146659e+06
    or (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   10 and name  HB2)
assign (segid "   A" and resid   14 and name HD22) (segid "   A" and resid   14 and name  HB2) 2.878 1.035 1.035 weight 1.000 ! spec=NOE, no=188, id=130, vol=1.382609e+06
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   14 and name  HB2) 3.788 1.793 1.793 weight 1.000 ! spec=NOE, no=189, id=131, vol=2.765501e+05
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   14 and name  HB2)
assign (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid   14 and name  HB2) 3.655 1.670 1.670 weight 1.000 ! spec=NOE, no=190, id=132, vol=3.359495e+05
    or (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   14 and name  HB2)
assign (segid "   A" and resid   14 and name HD21) (segid "   A" and resid   14 and name  HB2) 3.052 1.164 1.164 weight 1.000 ! spec=NOE, no=191, id=133, vol=9.538555e+05
assign (segid "   A" and resid   14 and name HD22) (segid "   A" and resid   14 and name  HB1) 2.757 0.950 0.950 weight 1.000 ! spec=NOE, no=192, id=134, vol=1.803646e+06
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   14 and name  HB1) 3.599 1.619 1.619 weight 1.000 ! spec=NOE, no=193, id=135, vol=3.735416e+05
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   14 and name  HB1)
assign (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid   14 and name  HB1) 3.607 1.626 1.626 weight 1.000 ! spec=NOE, no=194, id=136, vol=3.726909e+05
    or (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   14 and name  HB1)
assign (segid "   A" and resid   14 and name HD21) (segid "   A" and resid   14 and name  HB1) 2.891 1.045 1.045 weight 1.000 ! spec=NOE, no=195, id=137, vol=1.330334e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HB2) 3.224 1.300 1.300 weight 1.000 ! spec=NOE, no=197, id=138, vol=7.581346e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB2) 2.784 0.969 0.969 weight 1.000 ! spec=NOE, no=198, id=139, vol=1.758126e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   14 and name  HB1) 3.283 1.347 1.347 weight 1.000 ! spec=NOE, no=199, id=140, vol=6.405914e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name  HB1) 2.696 0.909 0.909 weight 1.000 ! spec=NOE, no=200, id=141, vol=2.134879e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   14 and name  HB1) 3.763 1.770 1.770 weight 1.000 ! spec=NOE, no=201, id=142, vol=2.975817e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name  HB2) 3.352 1.404 1.404 weight 1.000 ! spec=NOE, no=203, id=143, vol=5.593090e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB2) 3.121 1.217 1.217 weight 1.000 ! spec=NOE, no=205, id=144, vol=8.742262e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    7 and name   HB) 3.699 1.710 1.710 weight 1.000 ! spec=NOE, no=207, id=145, vol=3.098056e+05
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    7 and name   HB) 3.800 1.805 1.805 weight 1.000 ! spec=NOE, no=208, id=146, vol=2.335642e+05
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    7 and name   HB) 3.865 1.867 1.867 weight 1.000 ! spec=NOE, no=209, id=147, vol=2.443013e+05
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    7 and name   HB)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name   HB) 3.317 1.376 1.376 weight 1.000 ! spec=NOE, no=210, id=148, vol=6.275624e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name   HB) 2.411 0.727 0.727 weight 1.000 ! spec=NOE, no=213, id=149, vol=4.040514e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   21 and name  HB1) 3.131 1.225 2.869 weight 1.000 ! spec=NOE, no=218, id=150, vol=8.210881e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   17 and name  HB1) 2.814 0.990 0.990 weight 1.000 ! spec=NOE, no=220, id=151, vol=1.627960e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HB1) 3.061 1.171 1.171 weight 1.000 ! spec=NOE, no=223, id=153, vol=9.723144e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    2 and name  HB1) 3.727 1.737 1.737 weight 1.000 ! spec=NOE, no=224, id=154, vol=2.977975e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    2 and name  HB1) 3.315 1.373 1.373 weight 1.000 ! spec=NOE, no=226, id=155, vol=6.239011e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    2 and name  HB1) 3.180 1.264 1.264 weight 1.000 ! spec=NOE, no=227, id=156, vol=7.047332e+05
assign (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    2 and name  HB1) 3.312 1.371 1.371 weight 1.000 ! spec=NOE, no=228, id=157, vol=5.243337e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB1) 2.851 1.016 1.016 weight 1.000 ! spec=NOE, no=229, id=158, vol=1.530320e+06
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   20 and name  HB1) 3.525 1.554 1.554 weight 1.000 ! spec=NOE, no=230, id=159, vol=4.270229e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB1) 2.437 0.742 0.742 weight 1.000 ! spec=NOE, no=231, id=160, vol=3.860868e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   12 and name  HB1) 3.845 1.848 1.848 weight 1.000 ! spec=NOE, no=232, id=161, vol=2.574052e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB1) 2.806 0.984 0.984 weight 1.000 ! spec=NOE, no=233, id=162, vol=1.654454e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    4 and name   HB) 3.514 1.544 1.544 weight 1.000 ! spec=NOE, no=234, id=163, vol=4.215497e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name   HB) 2.733 0.934 0.934 weight 1.000 ! spec=NOE, no=235, id=164, vol=1.996758e+06
assign (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    4 and name   HB) 3.131 1.226 1.226 weight 1.000 ! spec=NOE, no=237, id=166, vol=7.296155e+05
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HB1) 2.976 1.107 1.107 weight 1.000 ! spec=NOE, no=238, id=167, vol=1.230488e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HB2) 3.017 1.138 1.138 weight 1.000 ! spec=NOE, no=239, id=168, vol=1.165631e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name   HB) 2.491 0.775 3.509 weight 1.000 ! spec=NOE, no=241, id=170, vol=3.382895e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB1) 2.542 0.808 3.458 weight 1.000 ! spec=NOE, no=242, id=171, vol=3.407027e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HB1) 2.872 1.031 1.031 weight 1.000 ! spec=NOE, no=243, id=172, vol=1.487925e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name   HG) 2.540 0.807 0.807 weight 1.000 ! spec=NOE, no=244, id=173, vol=3.065576e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   20 and name  HB2) 2.640 0.871 0.871 weight 1.000 ! spec=NOE, no=245, id=174, vol=2.406530e+06
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name   HG) 3.166 1.253 1.253 weight 1.000 ! spec=NOE, no=246, id=175, vol=8.214551e+05
assign (segid "   A" and resid   11 and name  HE3) (segid "   A" and resid   12 and name   HG) 3.030 1.148 1.148 weight 1.000 ! spec=NOE, no=247, id=176, vol=1.064382e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name   HG) 3.415 1.458 1.458 weight 1.000 ! spec=NOE, no=248, id=177, vol=3.861993e+05
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   12 and name   HG) 3.342 1.396 1.396 weight 1.000 ! spec=NOE, no=249, id=178, vol=5.326163e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name  HB2) 3.899 1.900 1.900 weight 1.000 ! spec=NOE, no=251, id=179, vol=2.260391e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HB2) 2.540 0.807 0.807 weight 1.000 ! spec=NOE, no=252, id=180, vol=3.406760e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HB2) 2.679 0.897 0.897 weight 1.000 ! spec=NOE, no=253, id=181, vol=2.230857e+06
assign (segid "   A" and resid    3 and name   HN) (segid "   A" and resid    2 and name  HG2) 2.997 1.123 1.123 weight 1.000 ! spec=NOE, no=254, id=182, vol=1.123297e+06
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   15 and name  HB2) 2.525 0.797 0.797 weight 1.000 ! spec=NOE, no=255, id=183, vol=3.391648e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   15 and name  HB2) 3.875 1.877 1.877 weight 1.000 ! spec=NOE, no=256, id=184, vol=2.499376e+05
assign (segid "   A" and resid    5 and name  HE1) (segid "   A" and resid    2 and name  HG2) 3.660 1.674 1.674 weight 1.000 ! spec=NOE, no=257, id=185, vol=3.416340e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HB2) 2.951 1.089 1.089 weight 1.000 ! spec=NOE, no=258, id=186, vol=1.235173e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    2 and name  HG2) 3.211 1.288 1.288 weight 1.000 ! spec=NOE, no=259, id=187, vol=6.311249e+05
assign (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    2 and name  HG2) 3.701 1.712 1.712 weight 1.000 ! spec=NOE, no=260, id=188, vol=2.678869e+05
assign (segid "   A" and resid   22 and name   HN) (segid "   A" and resid   20 and name  HG1) 3.575 1.597 1.597 weight 1.000 ! spec=NOE, no=261, id=189, vol=4.137605e+05
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    8 and name  HG2) 3.798 1.803 1.803 weight 1.000 ! spec=NOE, no=262, id=190, vol=2.631925e+05
assign (segid "   A" and resid   11 and name  HE3) (segid "   A" and resid   15 and name  HB2) 3.471 1.506 1.506 weight 1.000 ! spec=NOE, no=264, id=191, vol=5.086623e+05
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    3 and name  HB1) 3.298 1.359 2.702 weight 1.000 ! spec=NOE, no=265, id=192, vol=6.284521e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    3 and name  HB1) 3.289 1.352 1.352 weight 1.000 ! spec=NOE, no=266, id=193, vol=6.894792e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name  HB1) 2.452 0.751 0.751 weight 1.000 ! spec=NOE, no=267, id=194, vol=3.649714e+06
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name  HB2) 2.609 0.851 3.391 weight 1.000 ! spec=NOE, no=268, id=195, vol=2.576873e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   12 and name  HB2) 3.892 1.894 1.894 weight 1.000 ! spec=NOE, no=269, id=196, vol=2.428829e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name  HB2) 2.872 1.031 1.031 weight 1.000 ! spec=NOE, no=270, id=197, vol=1.433095e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name  HB1) 3.288 1.351 1.351 weight 1.000 ! spec=NOE, no=278, id=199, vol=6.407340e+05
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    6 and name  HB3)
assign (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    6 and name  HB1) 3.707 1.717 1.717 weight 1.000 ! spec=NOE, no=279, id=200, vol=2.680729e+05
    or (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    6 and name  HB3)
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    6 and name  HB1) 3.665 1.679 2.335 weight 1.000 ! spec=NOE, no=280, id=201, vol=3.365186e+05
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    6 and name  HB3)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    6 and name  HB1)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    6 and name  HB3)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    6 and name  HB1) 3.515 1.545 1.545 weight 1.000 ! spec=NOE, no=282, id=202, vol=3.918003e+05
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    6 and name  HB3)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name HG12) 3.532 1.559 1.559 weight 1.000 ! spec=NOE, no=283, id=203, vol=4.446644e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name HG12) 2.852 1.017 1.017 weight 1.000 ! spec=NOE, no=284, id=204, vol=1.507280e+06
assign (segid "   A" and resid   20 and name   HN) (segid "   A" and resid   19 and name  HG1) 3.351 1.404 1.404 weight 1.000 ! spec=NOE, no=287, id=205, vol=5.812391e+05
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   19 and name  HG1) 3.022 1.142 1.142 weight 1.000 ! spec=NOE, no=288, id=206, vol=1.085704e+06
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name HG11) 3.559 1.584 1.584 weight 1.000 ! spec=NOE, no=289, id=207, vol=4.093406e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name HG11) 2.787 0.971 0.971 weight 1.000 ! spec=NOE, no=290, id=208, vol=1.694705e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HG2) 3.194 1.275 1.275 weight 1.000 ! spec=NOE, no=294, id=209, vol=7.689487e+05
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   13 and name HG22) 3.487 1.520 1.520 weight 1.000 ! spec=NOE, no=297, id=210, vol=4.463202e+05
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HG22) 3.014 1.136 1.136 weight 1.000 ! spec=NOE, no=298, id=211, vol=1.071539e+06
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG22) 2.507 0.786 0.786 weight 1.000 ! spec=NOE, no=299, id=212, vol=3.143846e+06
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid   14 and name HD22) (segid "   A" and resid   13 and name HG22) 3.765 1.772 1.772 weight 1.000 ! spec=NOE, no=300, id=213, vol=2.775992e+05
    or (segid "   A" and resid   14 and name HD22) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   14 and name HD22) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   13 and name HG22) 3.701 1.712 1.712 weight 1.000 ! spec=NOE, no=301, id=214, vol=3.192047e+05
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid   13 and name HG23)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   13 and name HG22)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid   14 and name HD21) (segid "   A" and resid   13 and name HG22) 3.695 1.706 1.706 weight 1.000 ! spec=NOE, no=302, id=215, vol=3.005547e+05
    or (segid "   A" and resid   14 and name HD21) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid   14 and name HD21) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name HG12) 3.640 1.656 1.656 weight 1.000 ! spec=NOE, no=303, id=216, vol=3.430100e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name HG12) 2.758 0.951 0.951 weight 1.000 ! spec=NOE, no=304, id=217, vol=1.793521e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name HG11) 3.549 1.575 1.575 weight 1.000 ! spec=NOE, no=306, id=218, vol=3.951183e+05
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name HG11) 2.781 0.967 0.967 weight 1.000 ! spec=NOE, no=307, id=219, vol=1.772993e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name HG21) 3.159 1.247 1.247 weight 1.000 ! spec=NOE, no=311, id=220, vol=7.734562e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    7 and name HG22)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    7 and name HG21) 3.406 1.450 1.450 weight 1.000 ! spec=NOE, no=313, id=221, vol=4.841465e+05
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    7 and name HG22)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    7 and name HG21) 3.393 1.439 1.439 weight 1.000 ! spec=NOE, no=314, id=222, vol=4.668046e+05
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    7 and name HG22)
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    7 and name HG21) 3.370 1.420 1.420 weight 1.000 ! spec=NOE, no=315, id=223, vol=5.495344e+05
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    7 and name HG22)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    7 and name HG22)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   16 and name HG21) 2.966 1.099 1.099 weight 1.000 ! spec=NOE, no=319, id=224, vol=1.194481e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   16 and name HG22)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   16 and name HG23)
assign (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name HG12) 3.171 1.257 1.257 weight 1.000 ! spec=NOE, no=320, id=225, vol=8.435620e+05
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name HG11)
    or (segid "   A" and resid   15 and name   HN) (segid "   A" and resid   16 and name HG13)
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG12) 2.258 0.638 0.638 weight 1.000 ! spec=NOE, no=321, id=226, vol=5.723316e+06
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG11)
    or (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   16 and name HG13)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name HD13) 3.185 1.268 1.268 weight 1.000 ! spec=NOE, no=322, id=227, vol=7.611424e+05
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name HD11)
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    3 and name HD12)
assign (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid    7 and name HG12) 3.174 1.259 1.259 weight 1.000 ! spec=NOE, no=324, id=228, vol=7.940350e+05
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid    7 and name HG13)
    or (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    3 and name HD13) 3.235 1.309 1.309 weight 1.000 ! spec=NOE, no=325, id=229, vol=6.885632e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    3 and name HD11)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    3 and name HD12)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   16 and name HG12) 3.722 1.732 1.732 weight 1.000 ! spec=NOE, no=326, id=230, vol=3.198478e+05
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   16 and name HG11)
    or (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   16 and name HG13)
assign (segid "   A" and resid   11 and name  HZ2) (segid "   A" and resid    7 and name HG12) 3.211 1.289 1.289 weight 1.000 ! spec=NOE, no=327, id=231, vol=7.607643e+05
    or (segid "   A" and resid   11 and name  HZ2) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid   11 and name  HZ2) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    7 and name HG12) 2.379 0.708 0.708 weight 1.000 ! spec=NOE, no=328, id=232, vol=3.974264e+06
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    7 and name HG12) 2.908 1.057 1.057 weight 1.000 ! spec=NOE, no=329, id=233, vol=1.344125e+06
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid   10 and name  HD2) (segid "   A" and resid    7 and name HG13)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid   10 and name  HD1) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name HD12) 2.584 0.834 0.834 weight 1.000 ! spec=NOE, no=330, id=234, vol=2.680247e+06
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name HD11)
    or (segid "   A" and resid   12 and name   HN) (segid "   A" and resid   12 and name HD13)
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name HD12) 3.015 1.136 2.985 weight 1.000 ! spec=NOE, no=331, id=235, vol=1.109297e+06
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name HD11)
    or (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   12 and name HD13)
assign (segid "   A" and resid   11 and name  HE3) (segid "   A" and resid   12 and name HD12) 2.699 0.911 0.911 weight 1.000 ! spec=NOE, no=332, id=236, vol=2.139348e+06
    or (segid "   A" and resid   11 and name  HE3) (segid "   A" and resid   12 and name HD11)
    or (segid "   A" and resid   11 and name  HE3) (segid "   A" and resid   12 and name HD13)
assign (segid "   A" and resid   11 and name  HH2) (segid "   A" and resid   12 and name HD12) 3.227 1.301 1.301 weight 1.000 ! spec=NOE, no=333, id=237, vol=7.697064e+05
    or (segid "   A" and resid   11 and name  HH2) (segid "   A" and resid   12 and name HD11)
    or (segid "   A" and resid   11 and name  HH2) (segid "   A" and resid   12 and name HD13)
assign (segid "   A" and resid   11 and name  HZ3) (segid "   A" and resid   12 and name HD12) 2.849 1.014 1.014 weight 1.000 ! spec=NOE, no=334, id=238, vol=1.477790e+06
    or (segid "   A" and resid   11 and name  HZ3) (segid "   A" and resid   12 and name HD11)
    or (segid "   A" and resid   11 and name  HZ3) (segid "   A" and resid   12 and name HD13)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name HG22) 2.832 1.003 3.168 weight 1.000 ! spec=NOE, no=337, id=239, vol=1.557261e+06
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name HG23)
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name HG22) 2.824 0.997 0.997 weight 1.000 ! spec=NOE, no=338, id=240, vol=1.632851e+06
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   18 and name HG23)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name HD12) 2.969 1.102 1.102 weight 1.000 ! spec=NOE, no=339, id=241, vol=1.214280e+06
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name HD13)
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name HD11)
assign (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    4 and name HD12) 3.806 1.811 1.811 weight 1.000 ! spec=NOE, no=341, id=242, vol=2.172417e+05
    or (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    4 and name HD13)
    or (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    4 and name HD11)
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    4 and name HG22) 3.496 1.528 1.528 weight 1.000 ! spec=NOE, no=343, id=243, vol=4.090139e+05
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    4 and name HG23)
assign (segid "   A" and resid    5 and name  HE1) (segid "   A" and resid    4 and name HG22) 3.524 1.553 1.553 weight 1.000 ! spec=NOE, no=344, id=244, vol=3.663517e+05
    or (segid "   A" and resid    5 and name  HE1) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    5 and name  HE1) (segid "   A" and resid    4 and name HG23)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name HG22) 2.772 0.961 0.961 weight 1.000 ! spec=NOE, no=345, id=245, vol=1.698248e+06
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name HG23)
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name HG22) 2.450 0.750 3.550 weight 1.000 ! spec=NOE, no=346, id=246, vol=3.534334e+06
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    4 and name HG23)
assign (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    4 and name HG22) 2.840 1.008 1.008 weight 1.000 ! spec=NOE, no=347, id=247, vol=1.231681e+06
    or (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    5 and name  HD2) (segid "   A" and resid    4 and name HG23)
assign (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid    7 and name HG21) 3.802 1.807 1.807 weight 1.000 ! spec=NOE, no=348, id=248, vol=2.437403e+05
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid    7 and name HG22)
assign (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid    7 and name HG12) 2.721 0.926 0.926 weight 1.000 ! spec=NOE, no=349, id=249, vol=1.736483e+06
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid    7 and name   HA) 3.796 1.801 1.801 weight 1.000 ! spec=NOE, no=351, id=250, vol=2.401111e+05
assign (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   10 and name  HD2) 3.647 1.662 1.662 weight 1.000 ! spec=NOE, no=359, id=251, vol=2.965219e+05
    or (segid "   A" and resid   11 and name  HE1) (segid "   A" and resid   10 and name  HD1)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name HD22) 3.385 1.432 1.432 weight 1.000 ! spec=NOE, no=360, id=252, vol=5.326413e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   12 and name   HN) 3.642 1.658 1.658 weight 1.000 ! spec=NOE, no=363, id=254, vol=3.476402e+05
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    7 and name   HN) 3.872 1.874 1.874 weight 1.000 ! spec=NOE, no=365, id=255, vol=2.311573e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    5 and name   HN) 3.511 1.541 1.541 weight 1.000 ! spec=NOE, no=366, id=256, vol=4.454800e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   15 and name   HN) 2.953 1.090 1.090 weight 1.000 ! spec=NOE, no=368, id=258, vol=1.224765e+06
assign (segid "   A" and resid    6 and name   HN) (segid "   A" and resid    5 and name   HN) 2.963 1.097 1.097 weight 1.000 ! spec=NOE, no=372, id=262, vol=1.154698e+06
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   11 and name  HD1) 2.810 0.987 0.987 weight 1.000 ! spec=NOE, no=376, id=264, vol=1.465555e+06
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   10 and name   HN) 3.733 1.742 1.742 weight 1.000 ! spec=NOE, no=377, id=265, vol=2.903365e+05
assign (segid "   A" and resid    7 and name   HN) (segid "   A" and resid    6 and name   HN) 2.556 0.817 0.817 weight 1.000 ! spec=NOE, no=378, id=266, vol=2.777120e+06
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   20 and name   HN) 3.287 1.350 1.350 weight 1.000 ! spec=NOE, no=381, id=268, vol=6.509845e+05
assign (segid "   A" and resid   13 and name   HN) (segid "   A" and resid   15 and name   HN) 3.528 1.556 1.556 weight 1.000 ! spec=NOE, no=383, id=270, vol=4.323030e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name   HN) 2.564 0.822 0.822 weight 1.000 ! spec=NOE, no=384, id=271, vol=2.742563e+06
assign (segid "   A" and resid   18 and name   HN) (segid "   A" and resid   19 and name   HN) 2.853 1.018 1.018 weight 1.000 ! spec=NOE, no=385, id=272, vol=1.473083e+06
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   13 and name   HN) 2.565 0.822 0.822 weight 1.000 ! spec=NOE, no=390, id=273, vol=2.975370e+06
assign (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid   14 and name HD21) 3.331 1.387 1.387 weight 1.000 ! spec=NOE, no=394, id=276, vol=5.704049e+05
    or (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   14 and name HD21)
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   14 and name HD21) 3.567 1.590 1.590 weight 1.000 ! spec=NOE, no=396, id=277, vol=3.841279e+05
assign (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   13 and name   HB) 2.057 0.529 0.529 weight 1.000 ! spec=NOE, no=397, id=278, vol=1.049814e+07
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   13 and name   HB)
    or (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   13 and name   HB)
assign (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   13 and name   HA) 2.042 0.521 3.958 weight 1.000 ! spec=NOE, no=398, id=279, vol=1.012240e+07
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   13 and name   HA)
    or (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   13 and name   HA)
assign (segid "   A" and resid   18 and name HD11) (segid "   A" and resid   18 and name   HN) 3.692 1.703 1.703 weight 1.000 ! spec=NOE, no=399, id=280, vol=3.061977e+05
    or (segid "   A" and resid   18 and name HD12) (segid "   A" and resid   18 and name   HN)
    or (segid "   A" and resid   18 and name HD13) (segid "   A" and resid   18 and name   HN)
assign (segid "   A" and resid   19 and name   HN) (segid "   A" and resid   18 and name   HA) 2.111 0.557 0.557 weight 1.000 ! spec=NOE, no=401, id=281, vol=8.602923e+06
assign (segid "   A" and resid    8 and name   HN) (segid "   A" and resid    6 and name   HA) 3.134 1.228 2.866 weight 1.000 ! spec=NOE, no=404, id=282, vol=8.328132e+05
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   17 and name  HD2) 2.143 0.574 0.574 weight 1.000 ! spec=NOE, no=410, id=283, vol=8.457136e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   17 and name  HD1) 2.178 0.593 0.593 weight 1.000 ! spec=NOE, no=411, id=284, vol=7.301092e+06
assign (segid "   A" and resid    4 and name   HN) (segid "   A" and resid    2 and name   HA) 3.621 1.639 1.639 weight 1.000 ! spec=NOE, no=413, id=285, vol=3.910524e+05
assign (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid   10 and name   HA) 3.179 1.263 2.821 weight 1.000 ! spec=NOE, no=414, id=286, vol=7.768237e+05
    or (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   10 and name   HA)
assign (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid   11 and name   HA) 3.525 1.553 1.553 weight 1.000 ! spec=NOE, no=415, id=287, vol=4.068362e+05
    or (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   11 and name   HA)
assign (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid    7 and name   HA) 3.536 1.563 1.563 weight 1.000 ! spec=NOE, no=416, id=288, vol=4.031033e+05
    or (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid    7 and name   HA)
assign (segid "   A" and resid   14 and name HD21) (segid "   A" and resid   10 and name   HA) 3.375 1.423 1.423 weight 1.000 ! spec=NOE, no=417, id=289, vol=5.581118e+05
assign (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HD2) 2.960 1.095 1.095 weight 1.000 ! spec=NOE, no=419, id=290, vol=1.197868e+06
    or (segid "   A" and resid   11 and name   HN) (segid "   A" and resid   10 and name  HD1)
assign (segid "   A" and resid   10 and name  HE2) (segid "   A" and resid   10 and name   HN) 3.789 1.795 2.211 weight 1.000 ! spec=NOE, no=421, id=292, vol=2.669010e+05
    or (segid "   A" and resid   10 and name  HE1) (segid "   A" and resid   10 and name   HN)
assign (segid "   A" and resid   14 and name HD22) (segid "   A" and resid   14 and name HD21) 1.849 0.427 0.427 weight 1.000 ! spec=NOE, no=423, id=294, vol=1.781622e+07
assign (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   10 and name  HE2) 3.537 1.564 1.564 weight 1.000 ! spec=NOE, no=426, id=295, vol=4.206832e+05
    or (segid "   A" and resid   11 and name  HD1) (segid "   A" and resid   10 and name  HE1)
assign (segid "   A" and resid   14 and name HD22) (segid "   A" and resid   10 and name  HE2) 3.444 1.483 1.483 weight 1.000 ! spec=NOE, no=428, id=296, vol=4.462574e+05
    or (segid "   A" and resid   14 and name HD22) (segid "   A" and resid   10 and name  HE1)
assign (segid "   A" and resid    5 and name  HE1) (segid "   A" and resid    5 and name  HD2) 3.601 1.621 1.621 weight 1.000 ! spec=NOE, no=431, id=297, vol=3.112156e+05
assign (segid "   A" and resid   14 and name HD22) (segid "   A" and resid   10 and name  HD2) 3.278 1.343 1.343 weight 1.000 ! spec=NOE, no=438, id=300, vol=6.060054e+05
    or (segid "   A" and resid   14 and name HD22) (segid "   A" and resid   10 and name  HD1)
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name  HB2) 2.422 0.733 0.733 weight 1.000 ! spec=NOE, no=440, id=301, vol=3.927352e+06
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HB2) 2.283 0.652 0.652 weight 1.000 ! spec=NOE, no=441, id=302, vol=5.675175e+06
assign (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   17 and name  HB2) 2.981 1.111 1.111 weight 1.000 ! spec=NOE, no=442, id=303, vol=1.202159e+06
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    7 and name   HB) 2.376 0.706 0.706 weight 1.000 ! spec=NOE, no=443, id=304, vol=4.786717e+06
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name   HB) 2.366 0.700 0.700 weight 1.000 ! spec=NOE, no=444, id=305, vol=5.095638e+06
assign (segid "   A" and resid   21 and name  HD1) (segid "   A" and resid   21 and name  HG2) 2.449 0.750 0.750 weight 1.000 ! spec=NOE, no=449, id=306, vol=4.002590e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   16 and name   HB) 2.512 0.788 0.788 weight 1.000 ! spec=NOE, no=450, id=307, vol=3.288231e+06
assign (segid "   A" and resid   21 and name  HD2) (segid "   A" and resid   21 and name  HG2) 2.452 0.752 0.752 weight 1.000 ! spec=NOE, no=451, id=308, vol=3.982423e+06
assign (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   16 and name   HB) 2.650 0.878 3.350 weight 1.000 ! spec=NOE, no=452, id=309, vol=2.519150e+06
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name  HB1) 2.567 0.823 0.823 weight 1.000 ! spec=NOE, no=453, id=310, vol=2.928801e+06
assign (segid "   A" and resid   21 and name  HD1) (segid "   A" and resid   21 and name  HB1) 2.547 0.811 0.811 weight 1.000 ! spec=NOE, no=454, id=311, vol=3.211445e+06
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   17 and name  HG1) 2.223 0.618 3.777 weight 1.000 ! spec=NOE, no=455, id=312, vol=6.624217e+06
assign (segid "   A" and resid   16 and name   HA) (segid "   A" and resid   17 and name  HG1) 2.654 0.881 3.346 weight 1.000 ! spec=NOE, no=456, id=313, vol=2.298540e+06
assign (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   17 and name  HG1) 2.111 0.557 3.889 weight 1.000 ! spec=NOE, no=457, id=314, vol=9.565799e+06
assign (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   17 and name  HG1) 2.178 0.593 0.593 weight 1.000 ! spec=NOE, no=458, id=315, vol=7.717736e+06
assign (segid "   A" and resid    9 and name  HA1) (segid "   A" and resid    8 and name  HB1) 2.752 0.947 3.248 weight 1.000 ! spec=NOE, no=459, id=316, vol=1.952257e+06
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    8 and name  HB1) 2.588 0.837 0.837 weight 1.000 ! spec=NOE, no=460, id=317, vol=2.897037e+06
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HB1) 2.452 0.752 0.752 weight 1.000 ! spec=NOE, no=461, id=318, vol=3.841036e+06
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name  HB1) 2.218 0.615 3.782 weight 1.000 ! spec=NOE, no=462, id=319, vol=7.135383e+06
assign (segid "   A" and resid    2 and name  HD2) (segid "   A" and resid    2 and name  HB1) 2.493 0.777 3.507 weight 1.000 ! spec=NOE, no=463, id=320, vol=3.568965e+06
assign (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    8 and name  HB1) 2.370 0.702 0.702 weight 1.000 ! spec=NOE, no=464, id=321, vol=4.986928e+06
assign (segid "   A" and resid   21 and name  HD1) (segid "   A" and resid   20 and name  HB1) 2.855 1.019 1.019 weight 1.000 ! spec=NOE, no=465, id=322, vol=1.561176e+06
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name  HB1) 2.346 0.688 0.688 weight 1.000 ! spec=NOE, no=471, id=328, vol=5.113944e+06
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   20 and name  HB2) 2.439 0.743 0.743 weight 1.000 ! spec=NOE, no=478, id=329, vol=4.039637e+06
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    3 and name   HG) 2.874 1.032 1.032 weight 1.000 ! spec=NOE, no=481, id=330, vol=1.425962e+06
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name  HB2) 2.348 0.689 0.689 weight 1.000 ! spec=NOE, no=485, id=331, vol=5.169699e+06
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   15 and name  HB2) 2.483 0.771 0.771 weight 1.000 ! spec=NOE, no=486, id=332, vol=3.630975e+06
assign (segid "   A" and resid   20 and name  HD1) (segid "   A" and resid   20 and name  HG1) 2.198 0.604 0.604 weight 1.000 ! spec=NOE, no=487, id=333, vol=7.397771e+06
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name  HB1) 2.608 0.850 0.850 weight 1.000 ! spec=NOE, no=488, id=334, vol=2.883865e+06
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name  HG2) 2.512 0.789 0.789 weight 1.000 ! spec=NOE, no=490, id=335, vol=3.314199e+06
assign (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    8 and name  HG2) 2.410 0.726 0.726 weight 1.000 ! spec=NOE, no=491, id=336, vol=4.517913e+06
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name  HB1) 2.047 0.524 3.953 weight 1.000 ! spec=NOE, no=494, id=338, vol=1.080861e+07
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   12 and name  HB2) 2.351 0.691 0.691 weight 1.000 ! spec=NOE, no=495, id=339, vol=5.028855e+06
assign (segid "   A" and resid    1 and name   HA) (segid "   A" and resid    1 and name  HB2) 2.556 0.817 0.817 weight 1.000 ! spec=NOE, no=496, id=340, vol=3.038283e+06
assign (segid "   A" and resid   15 and name  HE1) (segid "   A" and resid   15 and name  HD1) 2.966 1.100 1.100 weight 1.000 ! spec=NOE, no=497, id=341, vol=1.318581e+06
assign (segid "   A" and resid   15 and name  HE2) (segid "   A" and resid   15 and name  HD2) 2.946 1.085 1.085 weight 1.000 ! spec=NOE, no=500, id=343, vol=1.379365e+06
assign (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HB1) 1.900 0.451 0.451 weight 1.000 ! spec=NOE, no=501, id=344, vol=1.711477e+07
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    6 and name   HA) (segid "   A" and resid    6 and name  HB3)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    6 and name  HB1) 2.810 0.987 0.987 weight 1.000 ! spec=NOE, no=502, id=345, vol=1.683422e+06
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    6 and name  HB3)
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name HG12) 2.875 1.033 1.033 weight 1.000 ! spec=NOE, no=504, id=346, vol=1.446745e+06
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name HG11) 2.707 0.916 0.916 weight 1.000 ! spec=NOE, no=505, id=347, vol=2.040216e+06
assign (segid "   A" and resid   19 and name   HA) (segid "   A" and resid   19 and name  HG1) 2.745 0.942 0.942 weight 1.000 ! spec=NOE, no=506, id=348, vol=1.987356e+06
assign (segid "   A" and resid   15 and name  HE2) (segid "   A" and resid   15 and name  HG2) 2.958 1.094 1.094 weight 1.000 ! spec=NOE, no=509, id=349, vol=1.247562e+06
assign (segid "   A" and resid   15 and name  HE1) (segid "   A" and resid   15 and name  HG2) 2.996 1.122 1.122 weight 1.000 ! spec=NOE, no=510, id=350, vol=1.179248e+06
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name HG12) 2.668 0.889 0.889 weight 1.000 ! spec=NOE, no=511, id=351, vol=2.192412e+06
assign (segid "   A" and resid   18 and name   HA) (segid "   A" and resid   18 and name HG11) 2.795 0.976 0.976 weight 1.000 ! spec=NOE, no=512, id=352, vol=1.743082e+06
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    7 and name HG21) 2.488 0.774 0.774 weight 1.000 ! spec=NOE, no=513, id=353, vol=3.266170e+06
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    7 and name HG22)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HG21) 2.151 0.578 0.578 weight 1.000 ! spec=NOE, no=514, id=354, vol=8.207460e+06
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    7 and name HG22)
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    7 and name HG21) 2.857 1.020 1.020 weight 1.000 ! spec=NOE, no=515, id=355, vol=1.469359e+06
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    7 and name HG22)
assign (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   16 and name HG21) 2.467 0.761 0.761 weight 1.000 ! spec=NOE, no=517, id=357, vol=3.601264e+06
    or (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   16 and name HG22)
    or (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   16 and name HG23)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   16 and name HG12) 2.964 1.098 3.036 weight 1.000 ! spec=NOE, no=518, id=358, vol=1.301338e+06
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   16 and name HG11)
    or (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   16 and name HG13)
assign (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name HD13) 2.258 0.637 0.637 weight 1.000 ! spec=NOE, no=519, id=359, vol=6.340225e+06
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name HD11)
    or (segid "   A" and resid    3 and name   HA) (segid "   A" and resid    3 and name HD12)
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   16 and name HG12) 2.860 1.022 1.022 weight 1.000 ! spec=NOE, no=520, id=360, vol=1.613704e+06
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   16 and name HG11)
    or (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   16 and name HG13)
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    3 and name HD13) 2.666 0.888 3.334 weight 1.000 ! spec=NOE, no=521, id=361, vol=2.219586e+06
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    3 and name HD11)
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    3 and name HD12)
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name HD12) 2.473 0.764 0.764 weight 1.000 ! spec=NOE, no=525, id=364, vol=3.336062e+06
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name HD13)
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name HD11)
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    4 and name HG22) 2.970 1.103 1.103 weight 1.000 ! spec=NOE, no=526, id=365, vol=1.199456e+06
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    4 and name HG23)
assign (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name HG22) 2.336 0.682 0.682 weight 1.000 ! spec=NOE, no=527, id=366, vol=4.717037e+06
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    4 and name   HA) (segid "   A" and resid    4 and name HG23)
assign (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    4 and name HG22) 2.789 0.972 0.972 weight 1.000 ! spec=NOE, no=528, id=367, vol=1.776016e+06
    or (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    8 and name  HD1) (segid "   A" and resid    4 and name HG23)
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   10 and name   HA) 2.775 0.963 3.225 weight 1.000 ! spec=NOE, no=530, id=368, vol=1.873262e+06
assign (segid "   A" and resid   22 and name   HA) (segid "   A" and resid   22 and name  HB1) 2.398 0.719 0.719 weight 1.000 ! spec=NOE, no=541, id=370, vol=3.990289e+06
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid    9 and name  HA1) 2.420 0.732 3.580 weight 1.000 ! spec=NOE, no=543, id=371, vol=4.722216e+06
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   11 and name  HB2) 2.378 0.707 0.707 weight 1.000 ! spec=NOE, no=552, id=372, vol=4.766936e+06
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   11 and name  HB2) 2.689 0.904 3.311 weight 1.000 ! spec=NOE, no=553, id=373, vol=2.329774e+06
assign (segid "   A" and resid   12 and name   HA) (segid "   A" and resid   11 and name  HB1) 2.725 0.928 3.275 weight 1.000 ! spec=NOE, no=554, id=374, vol=2.194469e+06
assign (segid "   A" and resid    2 and name   HA) (segid "   A" and resid    2 and name  HD2) 2.757 0.950 0.950 weight 1.000 ! spec=NOE, no=556, id=375, vol=2.001326e+06
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    5 and name  HB2) 2.127 0.566 3.873 weight 1.000 ! spec=NOE, no=557, id=376, vol=8.699229e+06
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    8 and name  HD1) 2.802 0.981 3.198 weight 1.000 ! spec=NOE, no=558, id=377, vol=1.717593e+06
assign (segid "   A" and resid   10 and name   HA) (segid "   A" and resid   10 and name  HB1) 2.304 0.663 0.663 weight 1.000 ! spec=NOE, no=559, id=378, vol=5.940106e+06
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid   10 and name  HB2) 2.549 0.812 0.812 weight 1.000 ! spec=NOE, no=561, id=379, vol=3.249923e+06
assign (segid "   A" and resid   21 and name  HD2) (segid "   A" and resid   21 and name  HD1) 1.917 0.460 0.460 weight 1.000 ! spec=NOE, no=583, id=380, vol=1.841306e+07
assign (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   17 and name  HD1) 1.895 0.449 0.449 weight 1.000 ! spec=NOE, no=584, id=381, vol=1.924905e+07
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   14 and name  HB1) 2.019 0.510 0.510 weight 1.000 ! spec=NOE, no=599, id=382, vol=1.225872e+07
assign (segid "   A" and resid   21 and name  HB2) (segid "   A" and resid   21 and name  HB1) 2.121 0.562 0.562 weight 1.000 ! spec=NOE, no=600, id=383, vol=9.244696e+06
assign (segid "   A" and resid   17 and name  HB2) (segid "   A" and resid   17 and name  HB1) 1.837 0.422 0.422 weight 1.000 ! spec=NOE, no=603, id=384, vol=2.219799e+07
assign (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    7 and name HG21) 2.456 0.754 3.544 weight 1.000 ! spec=NOE, no=604, id=385, vol=3.509299e+06
    or (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    7 and name HG22)
assign (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    7 and name HG12) 2.156 0.581 0.581 weight 1.000 ! spec=NOE, no=607, id=387, vol=8.399793e+06
    or (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid    8 and name  HG2) (segid "   A" and resid    7 and name HG12) 2.386 0.712 0.712 weight 1.000 ! spec=NOE, no=608, id=388, vol=4.834578e+06
    or (segid "   A" and resid    8 and name  HG2) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid    8 and name  HG2) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    3 and name HD13) 1.955 0.478 4.045 weight 1.000 ! spec=NOE, no=609, id=389, vol=1.560200e+07
    or (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    3 and name HD11)
    or (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    3 and name HD12)
assign (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    3 and name HD13) 2.452 0.751 0.751 weight 1.000 ! spec=NOE, no=610, id=390, vol=3.756545e+06
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    3 and name HD11)
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    3 and name HD12)
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    3 and name HD13)
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    3 and name HD11)
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    3 and name HD12)
    or (segid "   A" and resid    6 and name  HB3) (segid "   A" and resid    3 and name HD13)
    or (segid "   A" and resid    6 and name  HB3) (segid "   A" and resid    3 and name HD11)
    or (segid "   A" and resid    6 and name  HB3) (segid "   A" and resid    3 and name HD12)
assign (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   16 and name HG12) 2.790 0.973 0.973 weight 1.000 ! spec=NOE, no=611, id=391, vol=1.789625e+06
    or (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   16 and name HG11)
    or (segid "   A" and resid   13 and name HG22) (segid "   A" and resid   16 and name HG13)
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   16 and name HG12)
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   16 and name HG11)
    or (segid "   A" and resid   13 and name HG21) (segid "   A" and resid   16 and name HG13)
    or (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   16 and name HG12)
    or (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   16 and name HG11)
    or (segid "   A" and resid   13 and name HG23) (segid "   A" and resid   16 and name HG13)
assign (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid    7 and name HG12) 2.830 1.001 3.170 weight 1.000 ! spec=NOE, no=612, id=392, vol=1.730062e+06
    or (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid    8 and name  HG1) (segid "   A" and resid    7 and name HG12) 2.164 0.585 0.585 weight 1.000 ! spec=NOE, no=614, id=394, vol=8.892960e+06
    or (segid "   A" and resid    8 and name  HG1) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid    8 and name  HG1) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid   12 and name   HG) (segid "   A" and resid   12 and name HD12) 2.081 0.541 0.541 weight 1.000 ! spec=NOE, no=615, id=395, vol=1.007197e+07
    or (segid "   A" and resid   12 and name   HG) (segid "   A" and resid   12 and name HD11)
    or (segid "   A" and resid   12 and name   HG) (segid "   A" and resid   12 and name HD13)
assign (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   18 and name HG22) 2.170 0.589 0.589 weight 1.000 ! spec=NOE, no=616, id=396, vol=8.701953e+06
    or (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   18 and name HG21)
    or (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   18 and name HG23)
assign (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    3 and name HD21) 1.931 0.466 0.466 weight 1.000 ! spec=NOE, no=617, id=397, vol=1.655064e+07
    or (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    3 and name HD23)
    or (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    3 and name HD22)
assign (segid "   A" and resid   18 and name HG12) (segid "   A" and resid   18 and name HD11) 2.382 0.709 0.709 weight 1.000 ! spec=NOE, no=618, id=398, vol=4.750687e+06
    or (segid "   A" and resid   18 and name HG12) (segid "   A" and resid   18 and name HD12)
    or (segid "   A" and resid   18 and name HG12) (segid "   A" and resid   18 and name HD13)
assign (segid "   A" and resid    4 and name HG11) (segid "   A" and resid    4 and name HD12) 2.413 0.728 0.728 weight 1.000 ! spec=NOE, no=619, id=399, vol=4.356568e+06
    or (segid "   A" and resid    4 and name HG11) (segid "   A" and resid    4 and name HD13)
    or (segid "   A" and resid    4 and name HG11) (segid "   A" and resid    4 and name HD11)
assign (segid "   A" and resid    4 and name HG12) (segid "   A" and resid    4 and name HD12) 2.429 0.738 0.738 weight 1.000 ! spec=NOE, no=620, id=400, vol=4.191408e+06
    or (segid "   A" and resid    4 and name HG12) (segid "   A" and resid    4 and name HD13)
    or (segid "   A" and resid    4 and name HG12) (segid "   A" and resid    4 and name HD11)
assign (segid "   A" and resid   18 and name HG11) (segid "   A" and resid   18 and name HD11) 2.411 0.727 0.727 weight 1.000 ! spec=NOE, no=621, id=401, vol=4.508669e+06
    or (segid "   A" and resid   18 and name HG11) (segid "   A" and resid   18 and name HD12)
    or (segid "   A" and resid   18 and name HG11) (segid "   A" and resid   18 and name HD13)
assign (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid    4 and name HG22) 2.971 1.103 1.103 weight 1.000 ! spec=NOE, no=622, id=402, vol=1.233189e+06
    or (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    8 and name  HB1) (segid "   A" and resid    4 and name HG23)
assign (segid "   A" and resid    4 and name HG11) (segid "   A" and resid    4 and name HG22) 2.614 0.854 0.854 weight 1.000 ! spec=NOE, no=624, id=404, vol=2.656021e+06
    or (segid "   A" and resid    4 and name HG11) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    4 and name HG11) (segid "   A" and resid    4 and name HG23)
assign (segid "   A" and resid    4 and name HG12) (segid "   A" and resid    4 and name HG22) 2.516 0.791 0.791 weight 1.000 ! spec=NOE, no=625, id=405, vol=3.347907e+06
    or (segid "   A" and resid    4 and name HG12) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    4 and name HG12) (segid "   A" and resid    4 and name HG23)
assign (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   18 and name HG12) 2.611 0.852 0.852 weight 1.000 ! spec=NOE, no=626, id=406, vol=2.762158e+06
assign (segid "   A" and resid    4 and name   HB) (segid "   A" and resid    4 and name HG11) 2.457 0.755 0.755 weight 1.000 ! spec=NOE, no=627, id=407, vol=3.995065e+06
assign (segid "   A" and resid   19 and name  HB2) (segid "   A" and resid   19 and name  HG1) 2.607 0.850 0.850 weight 1.000 ! spec=NOE, no=628, id=408, vol=2.917406e+06
assign (segid "   A" and resid   19 and name  HD2) (segid "   A" and resid   19 and name  HG1) 2.459 0.756 0.756 weight 1.000 ! spec=NOE, no=629, id=409, vol=3.956498e+06
assign (segid "   A" and resid    4 and name   HB) (segid "   A" and resid    4 and name HG12) 2.616 0.855 0.855 weight 1.000 ! spec=NOE, no=632, id=410, vol=2.724459e+06
assign (segid "   A" and resid   18 and name   HB) (segid "   A" and resid   18 and name HG11) 2.784 0.969 0.969 weight 1.000 ! spec=NOE, no=633, id=411, vol=1.817675e+06
assign (segid "   A" and resid    4 and name HG11) (segid "   A" and resid    4 and name HG12) 2.153 0.580 0.580 weight 1.000 ! spec=NOE, no=634, id=412, vol=8.769155e+06
assign (segid "   A" and resid   18 and name HG12) (segid "   A" and resid   18 and name HG11) 2.034 0.517 0.517 weight 1.000 ! spec=NOE, no=635, id=413, vol=1.206655e+07
assign (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    7 and name HG21) 2.679 0.897 0.897 weight 1.000 ! spec=NOE, no=636, id=414, vol=2.143828e+06
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid    6 and name  HB1) (segid "   A" and resid    7 and name HG22)
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid    6 and name  HB2) (segid "   A" and resid    7 and name HG22)
    or (segid "   A" and resid    6 and name  HB3) (segid "   A" and resid    7 and name HG21)
    or (segid "   A" and resid    6 and name  HB3) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid    6 and name  HB3) (segid "   A" and resid    7 and name HG22)
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid   12 and name  HB2) 2.029 0.515 0.515 weight 1.000 ! spec=NOE, no=638, id=415, vol=1.232649e+07
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name  HB2) 1.989 0.494 0.494 weight 1.000 ! spec=NOE, no=640, id=417, vol=1.444178e+07
assign (segid "   A" and resid   20 and name  HB1) (segid "   A" and resid   20 and name  HG1) 2.215 0.613 0.613 weight 1.000 ! spec=NOE, no=641, id=418, vol=7.624037e+06
assign (segid "   A" and resid   12 and name   HG) (segid "   A" and resid   12 and name  HB2) 2.384 0.710 0.710 weight 1.000 ! spec=NOE, no=643, id=419, vol=4.650904e+06
assign (segid "   A" and resid    1 and name  HB1) (segid "   A" and resid    1 and name  HB2) 2.006 0.503 0.503 weight 1.000 ! spec=NOE, no=644, id=420, vol=1.368246e+07
assign (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    6 and name  HB1) 2.551 0.813 3.449 weight 1.000 ! spec=NOE, no=647, id=422, vol=3.117878e+06
    or (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    6 and name  HB3)
assign (segid "   A" and resid   15 and name  HB1) (segid "   A" and resid   15 and name  HB2) 1.774 0.394 0.394 weight 1.000 ! spec=NOE, no=648, id=423, vol=2.928663e+07
assign (segid "   A" and resid   21 and name  HB2) (segid "   A" and resid   21 and name  HG2) 2.658 0.883 0.883 weight 1.000 ! spec=NOE, no=649, id=424, vol=2.319044e+06
assign (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    7 and name HG21) 2.227 0.620 0.620 weight 1.000 ! spec=NOE, no=651, id=425, vol=6.885841e+06
    or (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    7 and name HG22)
assign (segid "   A" and resid    7 and name HG21) (segid "   A" and resid    4 and name HD12) 2.567 0.824 0.824 weight 1.000 ! spec=NOE, no=652, id=426, vol=2.706785e+06
    or (segid "   A" and resid    7 and name HG21) (segid "   A" and resid    4 and name HD13)
    or (segid "   A" and resid    7 and name HG21) (segid "   A" and resid    4 and name HD11)
    or (segid "   A" and resid    7 and name HG23) (segid "   A" and resid    4 and name HD12)
    or (segid "   A" and resid    7 and name HG23) (segid "   A" and resid    4 and name HD13)
    or (segid "   A" and resid    7 and name HG23) (segid "   A" and resid    4 and name HD11)
    or (segid "   A" and resid    7 and name HG22) (segid "   A" and resid    4 and name HD12)
    or (segid "   A" and resid    7 and name HG22) (segid "   A" and resid    4 and name HD13)
    or (segid "   A" and resid    7 and name HG22) (segid "   A" and resid    4 and name HD11)
assign (segid "   A" and resid    7 and name HG21) (segid "   A" and resid    7 and name HG12) 1.808 0.409 0.409 weight 1.000 ! spec=NOE, no=653, id=427, vol=2.273503e+07
    or (segid "   A" and resid    7 and name HG21) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid    7 and name HG21) (segid "   A" and resid    7 and name HG13)
    or (segid "   A" and resid    7 and name HG23) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid    7 and name HG23) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid    7 and name HG23) (segid "   A" and resid    7 and name HG13)
    or (segid "   A" and resid    7 and name HG22) (segid "   A" and resid    7 and name HG12)
    or (segid "   A" and resid    7 and name HG22) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid    7 and name HG22) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid    3 and name HD13) (segid "   A" and resid    4 and name HG22) 2.564 0.822 3.436 weight 1.000 ! spec=NOE, no=654, id=428, vol=2.851198e+06
    or (segid "   A" and resid    3 and name HD13) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    3 and name HD13) (segid "   A" and resid    4 and name HG23)
    or (segid "   A" and resid    3 and name HD11) (segid "   A" and resid    4 and name HG22)
    or (segid "   A" and resid    3 and name HD11) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    3 and name HD11) (segid "   A" and resid    4 and name HG23)
    or (segid "   A" and resid    3 and name HD12) (segid "   A" and resid    4 and name HG22)
    or (segid "   A" and resid    3 and name HD12) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    3 and name HD12) (segid "   A" and resid    4 and name HG23)
assign (segid "   A" and resid    4 and name HD12) (segid "   A" and resid    4 and name HG22) 2.109 0.556 0.556 weight 1.000 ! spec=NOE, no=659, id=429, vol=8.918623e+06
    or (segid "   A" and resid    4 and name HD12) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    4 and name HD12) (segid "   A" and resid    4 and name HG23)
    or (segid "   A" and resid    4 and name HD13) (segid "   A" and resid    4 and name HG22)
    or (segid "   A" and resid    4 and name HD13) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    4 and name HD13) (segid "   A" and resid    4 and name HG23)
    or (segid "   A" and resid    4 and name HD11) (segid "   A" and resid    4 and name HG22)
    or (segid "   A" and resid    4 and name HD11) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    4 and name HD11) (segid "   A" and resid    4 and name HG23)
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid    7 and name HG12) 3.048 1.161 2.952 weight 1.000 ! spec=NOE, no=660, id=430, vol=1.098649e+06
    or (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid    7 and name HG12) 3.071 1.179 2.929 weight 1.000 ! spec=NOE, no=661, id=431, vol=1.057762e+06
    or (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid    9 and name  HA1) (segid "   A" and resid   13 and name HG22) 3.200 1.280 1.280 weight 1.000 ! spec=NOE, no=662, id=432, vol=7.719914e+05
    or (segid "   A" and resid    9 and name  HA1) (segid "   A" and resid   13 and name HG21)
    or (segid "   A" and resid    9 and name  HA1) (segid "   A" and resid   13 and name HG23)
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   18 and name HG11) 3.208 1.286 1.286 weight 1.000 ! spec=NOE, no=664, id=433, vol=8.100894e+05
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   18 and name   HB) 3.190 1.272 2.810 weight 1.000 ! spec=NOE, no=666, id=435, vol=7.692009e+05
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   14 and name  HB1) 3.172 1.257 1.257 weight 1.000 ! spec=NOE, no=667, id=436, vol=8.022915e+05
assign (segid "   A" and resid   21 and name  HD2) (segid "   A" and resid   21 and name  HB2) 3.256 1.325 1.325 weight 1.000 ! spec=NOE, no=668, id=437, vol=6.987584e+05
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   12 and name   HG) 3.447 1.485 1.485 weight 1.000 ! spec=NOE, no=697, id=441, vol=5.234122e+05
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   12 and name   HG) 3.516 1.545 2.484 weight 1.000 ! spec=NOE, no=698, id=442, vol=4.609508e+05
assign (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    4 and name HG22) 3.540 1.567 1.567 weight 1.000 ! spec=NOE, no=703, id=443, vol=3.896117e+05
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    8 and name   HA) (segid "   A" and resid    4 and name HG23)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    4 and name HG22) 3.398 1.443 2.602 weight 1.000 ! spec=NOE, no=704, id=444, vol=5.263800e+05
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    4 and name HG23)
assign (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    4 and name HD12) 3.255 1.324 2.745 weight 1.000 ! spec=NOE, no=705, id=445, vol=6.263700e+05
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    4 and name HD13)
    or (segid "   A" and resid    7 and name   HA) (segid "   A" and resid    4 and name HD11)
assign (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    6 and name  HB1) 3.161 1.249 2.839 weight 1.000 ! spec=NOE, no=706, id=446, vol=8.747184e+05
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    5 and name   HA) (segid "   A" and resid    6 and name  HB3)
assign (segid "   A" and resid   15 and name   HA) (segid "   A" and resid   14 and name  HB1) 3.619 1.637 1.637 weight 1.000 ! spec=NOE, no=708, id=448, vol=3.635556e+05
assign (segid "   A" and resid   13 and name   HB) (segid "   A" and resid   14 and name  HB1) 3.672 1.685 1.685 weight 1.000 ! spec=NOE, no=709, id=449, vol=3.349760e+05
assign (segid "   A" and resid   13 and name   HA) (segid "   A" and resid   14 and name  HB1) 3.509 1.539 2.491 weight 1.000 ! spec=NOE, no=710, id=450, vol=4.362381e+05
assign (segid "   A" and resid   17 and name   HA) (segid "   A" and resid   18 and name   HA) 3.253 1.323 1.323 weight 1.000 ! spec=NOE, no=712, id=451, vol=7.040268e+05
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   10 and name  HB2) 3.680 1.693 2.320 weight 1.000 ! spec=NOE, no=713, id=452, vol=3.387110e+05
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   10 and name  HB2) 3.610 1.629 1.629 weight 1.000 ! spec=NOE, no=714, id=453, vol=4.018400e+05
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid    7 and name HG21) 3.489 1.521 1.521 weight 1.000 ! spec=NOE, no=722, id=455, vol=4.650975e+05
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid    7 and name HG22)
assign (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid    7 and name HG12) 3.172 1.258 2.828 weight 1.000 ! spec=NOE, no=723, id=456, vol=8.450415e+05
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid    7 and name HG11)
    or (segid "   A" and resid   10 and name  HB1) (segid "   A" and resid    7 and name HG13)
assign (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid    7 and name HG21) 3.360 1.411 1.411 weight 1.000 ! spec=NOE, no=724, id=457, vol=5.880955e+05
    or (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid   10 and name  HB2) (segid "   A" and resid    7 and name HG22)
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   16 and name HG12) 3.362 1.413 1.413 weight 1.000 ! spec=NOE, no=729, id=458, vol=5.760936e+05
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   16 and name HG11)
    or (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   16 and name HG13)
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   16 and name HG12) 3.342 1.396 1.396 weight 1.000 ! spec=NOE, no=730, id=459, vol=6.117907e+05
    or (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   16 and name HG11)
    or (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   16 and name HG13)
assign (segid "   A" and resid   14 and name  HB2) (segid "   A" and resid   15 and name  HG2) 3.918 1.919 1.919 weight 1.000 ! spec=NOE, no=731, id=460, vol=2.424266e+05
assign (segid "   A" and resid   14 and name  HB1) (segid "   A" and resid   15 and name  HG2) 3.743 1.752 1.752 weight 1.000 ! spec=NOE, no=733, id=461, vol=3.181016e+05
assign (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    3 and name  HB1) 3.527 1.555 2.473 weight 1.000 ! spec=NOE, no=742, id=462, vol=4.279519e+05
assign (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    6 and name  HB1) 3.305 1.365 1.365 weight 1.000 ! spec=NOE, no=743, id=463, vol=6.337515e+05
    or (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    7 and name   HB) (segid "   A" and resid    6 and name  HB3)
assign (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    6 and name  HB1) 3.499 1.531 1.531 weight 1.000 ! spec=NOE, no=745, id=464, vol=4.547675e+05
    or (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    6 and name  HB2)
    or (segid "   A" and resid    2 and name  HB1) (segid "   A" and resid    6 and name  HB3)
assign (segid "   A" and resid    8 and name  HG1) (segid "   A" and resid    7 and name HG21) 3.284 1.348 1.348 weight 1.000 ! spec=NOE, no=751, id=466, vol=6.831209e+05
    or (segid "   A" and resid    8 and name  HG1) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid    8 and name  HG1) (segid "   A" and resid    7 and name HG22)
assign (segid "   A" and resid    4 and name HG11) (segid "   A" and resid    7 and name HG21) 3.650 1.665 1.665 weight 1.000 ! spec=NOE, no=753, id=467, vol=3.319484e+05
    or (segid "   A" and resid    4 and name HG11) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid    4 and name HG11) (segid "   A" and resid    7 and name HG22)
assign (segid "   A" and resid    4 and name HG11) (segid "   A" and resid    3 and name HD13) 3.215 1.292 1.292 weight 1.000 ! spec=NOE, no=754, id=468, vol=7.849183e+05
    or (segid "   A" and resid    4 and name HG11) (segid "   A" and resid    3 and name HD11)
    or (segid "   A" and resid    4 and name HG11) (segid "   A" and resid    3 and name HD12)
assign (segid "   A" and resid   15 and name  HG2) (segid "   A" and resid   16 and name HG12) 3.214 1.291 1.291 weight 1.000 ! spec=NOE, no=755, id=469, vol=7.900515e+05
    or (segid "   A" and resid   15 and name  HG2) (segid "   A" and resid   16 and name HG11)
    or (segid "   A" and resid   15 and name  HG2) (segid "   A" and resid   16 and name HG13)
assign (segid "   A" and resid    7 and name HG21) (segid "   A" and resid    4 and name HG22) 2.996 1.122 1.122 weight 1.000 ! spec=NOE, no=756, id=470, vol=1.020859e+06
    or (segid "   A" and resid    7 and name HG21) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    7 and name HG21) (segid "   A" and resid    4 and name HG23)
    or (segid "   A" and resid    7 and name HG23) (segid "   A" and resid    4 and name HG22)
    or (segid "   A" and resid    7 and name HG23) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    7 and name HG23) (segid "   A" and resid    4 and name HG23)
    or (segid "   A" and resid    7 and name HG22) (segid "   A" and resid    4 and name HG22)
    or (segid "   A" and resid    7 and name HG22) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    7 and name HG22) (segid "   A" and resid    4 and name HG23)
assign (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    4 and name HG22) 3.209 1.287 2.791 weight 1.000 ! spec=NOE, no=758, id=472, vol=7.842796e+05
    or (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    4 and name HG23)
assign (segid "   A" and resid    8 and name  HG2) (segid "   A" and resid    4 and name HG22) 3.509 1.539 1.539 weight 1.000 ! spec=NOE, no=759, id=473, vol=4.477640e+05
    or (segid "   A" and resid    8 and name  HG2) (segid "   A" and resid    4 and name HG21)
    or (segid "   A" and resid    8 and name  HG2) (segid "   A" and resid    4 and name HG23)
assign (segid "   A" and resid   19 and name  HG1) (segid "   A" and resid   18 and name HG11) 3.276 1.342 1.342 weight 1.000 ! spec=NOE, no=761, id=474, vol=6.614783e+05
assign (segid "   A" and resid   20 and name   HE) (segid "   A" and resid   20 and name  HD1) 3.947 1.948 1.948 weight 1.000 ! spec=NOE, no=762, id=475, vol=2.242257e+05
assign (segid "   A" and resid   17 and name  HB1) (segid "   A" and resid   17 and name   HA) 2.335 0.681 0.681 weight 1.000 ! spec=NOE, no=771, id=479, vol=5.009903e+06
assign (segid "   A" and resid   21 and name  HD1) (segid "   A" and resid   21 and name  HB2) 3.607 1.626 1.626 weight 1.000 ! spec=NOE, no=774, id=480, vol=3.926347e+05
assign (segid "   A" and resid   20 and name  HG1) (segid "   A" and resid   20 and name   HN) 3.064 1.173 1.173 weight 1.000 ! spec=NOE, no=776, id=482, vol=1.044564e+06
assign (segid "   A" and resid   19 and name  HG1) (segid "   A" and resid   19 and name  HE1) 3.176 1.261 1.261 weight 1.000 ! spec=NOE, no=783, id=485, vol=8.348024e+05
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    7 and name HG21) 3.641 1.658 1.658 weight 1.000 ! spec=NOE, no=790, id=492, vol=3.416398e+05
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    7 and name HG23)
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    7 and name HG22)
assign (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name HD12) 3.547 1.572 1.572 weight 1.000 ! spec=NOE, no=791, id=493, vol=4.388164e+05
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name HD13)
    or (segid "   A" and resid    5 and name   HN) (segid "   A" and resid    4 and name HD11)
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   10 and name  HD2) 3.547 1.572 1.572 weight 1.000 ! spec=NOE, no=800, id=498, vol=4.204958e+05
    or (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   10 and name  HD1)
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name  HE3) 2.798 0.978 3.202 weight 1.000 ! spec=NOE, no=805, id=503, vol=1.736748e+06
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   10 and name   HN) 3.680 1.692 1.692 weight 1.000 ! spec=NOE, no=807, id=505, vol=3.363135e+05
assign (segid "   A" and resid   11 and name  HB2) (segid "   A" and resid   11 and name  HD1) 2.637 0.870 3.363 weight 1.000 ! spec=NOE, no=810, id=506, vol=2.290033e+06
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name  HD1) 2.583 0.834 0.834 weight 1.000 ! spec=NOE, no=811, id=507, vol=2.519750e+06
assign (segid "   A" and resid   11 and name  HB1) (segid "   A" and resid   11 and name   HA) 2.375 0.705 0.705 weight 1.000 ! spec=NOE, no=812, id=508, vol=4.705100e+06
assign (segid "   A" and resid   21 and name   HA) (segid "   A" and resid   21 and name  HG2) 3.364 1.415 1.415 weight 1.000 ! spec=NOE, no=814, id=510, vol=5.880489e+05
assign (segid "   A" and resid   16 and name HG21) (segid "   A" and resid   17 and name  HG1) 2.909 1.057 1.057 weight 1.000 ! spec=NOE, no=815, id=511, vol=1.302026e+06
    or (segid "   A" and resid   16 and name HG22) (segid "   A" and resid   17 and name  HG1)
    or (segid "   A" and resid   16 and name HG23) (segid "   A" and resid   17 and name  HG1)
assign (segid "   A" and resid   18 and name HG22) (segid "   A" and resid   17 and name  HB1) 3.042 1.157 2.958 weight 1.000 ! spec=NOE, no=816, id=512, vol=1.037894e+06
    or (segid "   A" and resid   18 and name HG21) (segid "   A" and resid   17 and name  HB1)
    or (segid "   A" and resid   18 and name HG23) (segid "   A" and resid   17 and name  HB1)
assign (segid "   A" and resid    3 and name  HB1) (segid "   A" and resid    4 and name HG11) 3.153 1.243 1.243 weight 1.000 ! spec=NOE, no=818, id=513, vol=8.426572e+05
assign (segid "   A" and resid   21 and name  HD1) (segid "   A" and resid   20 and name   HN) 3.864 1.866 1.866 weight 1.000 ! spec=NOE, no=822, id=516, vol=2.472581e+05
assign (segid "   A" and resid   21 and name  HD2) (segid "   A" and resid   20 and name   HA) 3.692 1.704 1.704 weight 1.000 ! spec=NOE, no=823, id=517, vol=2.557814e+05
assign (segid "   A" and resid   21 and name  HD1) (segid "   A" and resid   20 and name   HA) 3.988 1.988 1.988 weight 1.000 ! spec=NOE, no=824, id=518, vol=1.205462e+05
assign (segid "   A" and resid   12 and name  HB1) (segid "   A" and resid    9 and name  HA1) 2.630 0.865 0.865 weight 1.000 ! spec=NOE, no=825, id=519, vol=2.637315e+06
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   12 and name   HA) 3.331 1.387 1.387 weight 1.000 ! spec=NOE, no=828, id=520, vol=6.096831e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   13 and name   HA) 3.571 1.594 1.594 weight 1.000 ! spec=NOE, no=829, id=521, vol=4.184152e+05
assign (segid "   A" and resid   14 and name   HN) (segid "   A" and resid   16 and name   HN) 3.560 1.584 1.584 weight 1.000 ! spec=NOE, no=830, id=522, vol=4.259109e+05
assign (segid "   A" and resid   17 and name  HD1) (segid "   A" and resid   15 and name   HA) 3.216 1.293 2.784 weight 1.000 ! spec=NOE, no=831, id=523, vol=5.452744e+05
assign (segid "   A" and resid   17 and name  HD2) (segid "   A" and resid   15 and name   HA) 3.048 1.161 2.952 weight 1.000 ! spec=NOE, no=832, id=524, vol=8.799242e+05
assign (segid "   A" and resid   11 and name   HA) (segid "   A" and resid   15 and name  HG2) 3.405 1.449 1.449 weight 1.000 ! spec=NOE, no=833, id=525, vol=5.501264e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HD2) 3.739 1.747 1.747 weight 1.000 ! spec=NOE, no=834, id=526, vol=3.233154e+05
assign (segid "   A" and resid   16 and name   HN) (segid "   A" and resid   15 and name  HD1) 3.836 1.839 1.839 weight 1.000 ! spec=NOE, no=835, id=527, vol=2.883973e+05
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LEU   1           HT1      LEU   1  11.311  -6.952   4.033
    2    H2   LEU   1           HT2      LEU   1  12.780  -7.777   4.140
    3    H3   LEU   1           HT3      LEU   1  11.327  -8.636   4.176
    4    HA   LEU   1           HA       LEU   1  12.399  -8.841   2.034
    5    HB2  LEU   1           HB2      LEU   1   9.885  -7.164   2.024
    6    HB3  LEU   1           HB1      LEU   1  10.506  -8.029   0.635
    7    HG   LEU   1           HG       LEU   1   9.675  -9.379   3.202
    8   HD11  LEU   1          HD11      LEU   1   8.135  -9.016   0.636
    9   HD12  LEU   1          HD12      LEU   1   7.753  -8.280   2.192
   10   HD13  LEU   1          HD13      LEU   1   7.645 -10.029   1.993
   11   HD21  LEU   1          HD21      LEU   1  11.276 -10.627   1.838
   12   HD22  LEU   1          HD22      LEU   1  10.222 -10.448   0.436
   13   HD23  LEU   1          HD23      LEU   1   9.688 -11.394   1.825
   14    H    ARG   2           HN       ARG   2  11.114  -5.517   2.252
   15    HA   ARG   2           HA       ARG   2  13.610  -4.330   1.560
   16    HB2  ARG   2           HB2      ARG   2  12.558  -5.330  -0.646
   17    HB3  ARG   2           HB1      ARG   2  11.510  -3.920  -0.532
   18    HG2  ARG   2           HG2      ARG   2  13.322  -3.393  -1.986
   19    HG3  ARG   2           HG1      ARG   2  13.530  -2.486  -0.491
   20    HD2  ARG   2           HD2      ARG   2  15.652  -3.408  -1.235
   21    HD3  ARG   2           HD1      ARG   2  15.157  -4.144   0.287
   22    HE   ARG   2           HE       ARG   2  14.327  -5.657  -2.000
   23   HH11  ARG   2          HH11      ARG   2  17.005  -5.028   0.171
   24   HH12  ARG   2          HH12      ARG   2  17.760  -6.565  -0.107
   25   HH21  ARG   2          HH21      ARG   2  15.332  -7.681  -2.378
   26   HH22  ARG   2          HH22      ARG   2  16.825  -8.058  -1.581
   27    H    LEU   3           HN       LEU   3  13.351  -1.930   1.362
   28    HA   LEU   3           HA       LEU   3  11.351  -1.072   3.231
   29    HB2  LEU   3           HB2      LEU   3  13.527  -0.117   3.454
   30    HB3  LEU   3           HB1      LEU   3  13.536   0.383   1.775
   31    HG   LEU   3           HG       LEU   3  11.809   2.045   2.230
   32   HD11  LEU   3          HD11      LEU   3  10.641   0.848   4.012
   33   HD12  LEU   3          HD12      LEU   3  11.060   2.494   4.491
   34   HD13  LEU   3          HD13      LEU   3  12.007   1.133   5.092
   35   HD21  LEU   3          HD21      LEU   3  14.154   2.680   2.472
   36   HD22  LEU   3          HD22      LEU   3  14.117   2.192   4.166
   37   HD23  LEU   3          HD23      LEU   3  13.136   3.550   3.618
   38    H    ILE   4           HN       ILE   4  12.231   0.158   0.030
   39    HA   ILE   4           HA       ILE   4  10.067   1.884  -0.206
   40    HB   ILE   4           HB       ILE   4  11.811   0.627  -2.292
   41   HG12  ILE   4          HG12      ILE   4  12.860   2.144  -0.648
   42   HG13  ILE   4          HG11      ILE   4  12.913   2.791  -2.284
   43   HG21  ILE   4          HG21      ILE   4   9.747   1.202  -3.398
   44   HG22  ILE   4          HG22      ILE   4  10.992   2.372  -3.839
   45   HG23  ILE   4          HG23      ILE   4   9.759   2.802  -2.653
   46   HD11  ILE   4          HD11      ILE   4  11.022   3.615  -0.095
   47   HD12  ILE   4          HD12      ILE   4  11.001   4.239  -1.744
   48   HD13  ILE   4          HD13      ILE   4  12.395   4.536  -0.706
   49    H    HIS   5           HN       HIS   5  10.304  -1.505  -1.057
   50    HA   HIS   5           HA       HIS   5   7.879  -1.501  -2.615
   51    HB2  HIS   5           HB2      HIS   5   9.447  -3.848  -1.521
   52    HB3  HIS   5           HB1      HIS   5   8.172  -3.933  -2.732
   53    HD1  HIS   5           HD1      HIS   5   9.010  -3.973  -5.080
   54    HD2  HIS   5           HD2      HIS   5  11.663  -2.109  -2.484
   55    HE1  HIS   5           HE1      HIS   5  10.993  -3.331  -6.486
   56    HE2  HIS   5           HE2      HIS   5  12.654  -2.363  -4.859
   57    H    ALA   6           HN       ALA   6   8.701  -1.739   0.666
   58    HA   ALA   6           HA       ALA   6   6.187  -2.951   1.479
   59    HB1  ALA   6           HB1      ALA   6   8.409  -1.740   3.131
   60    HB2  ALA   6           HB2      ALA   6   8.280  -3.447   2.703
   61    HB3  ALA   6           HB3      ALA   6   7.060  -2.702   3.740
   62    H    VAL   7           HN       VAL   7   7.879   0.094   1.425
   63    HA   VAL   7           HA       VAL   7   6.050   1.757   2.682
   64    HB   VAL   7           HB       VAL   7   8.058   2.228   0.494
   65   HG11  VAL   7          HG11      VAL   7   6.412   3.870   0.012
   66   HG12  VAL   7          HG12      VAL   7   7.707   4.683   0.903
   67   HG13  VAL   7          HG13      VAL   7   6.205   4.256   1.724
   68   HG21  VAL   7          HG21      VAL   7   8.937   1.773   2.686
   69   HG22  VAL   7          HG22      VAL   7   7.919   3.030   3.389
   70   HG23  VAL   7          HG23      VAL   7   9.216   3.465   2.272
   71    H    ARG   8           HN       ARG   8   6.432   1.117  -0.783
   72    HA   ARG   8           HA       ARG   8   4.187   2.645  -1.528
   73    HB2  ARG   8           HB2      ARG   8   5.731   0.509  -2.978
   74    HB3  ARG   8           HB1      ARG   8   4.464   1.479  -3.730
   75    HG2  ARG   8           HG2      ARG   8   5.739   3.515  -3.179
   76    HG3  ARG   8           HG1      ARG   8   7.026   2.507  -2.516
   77    HD2  ARG   8           HD2      ARG   8   7.314   1.450  -4.712
   78    HD3  ARG   8           HD1      ARG   8   6.031   2.464  -5.368
   79    HE   ARG   8           HE       ARG   8   7.955   4.141  -4.243
   80   HH11  ARG   8          HH11      ARG   8   7.627   1.910  -6.917
   81   HH12  ARG   8          HH12      ARG   8   8.838   2.691  -7.880
   82   HH21  ARG   8          HH21      ARG   8   9.557   5.164  -5.497
   83   HH22  ARG   8          HH22      ARG   8   9.953   4.533  -7.064
   84    H    GLY   9           HN       GLY   9   4.612  -0.779  -0.827
   85    HA2  GLY   9           HA2      GLY   9   1.933  -1.483  -1.519
   86    HA3  GLY   9           HA1      GLY   9   3.038  -2.451  -0.549
   87    H    TYR  10           HN       TYR  10   3.189   0.332   0.971
   88    HA   TYR  10           HA       TYR  10   1.149  -0.350   2.911
   89    HB2  TYR  10           HB2      TYR  10   3.088   0.149   4.057
   90    HB3  TYR  10           HB1      TYR  10   3.617   1.314   2.858
   91    HD1  TYR  10           HD1      TYR  10   3.523   3.536   3.324
   92    HD2  TYR  10           HD2      TYR  10   1.031   0.898   5.536
   93    HE1  TYR  10           HE1      TYR  10   2.850   5.402   4.767
   94    HE2  TYR  10           HE2      TYR  10   0.344   2.762   6.992
   95    HH   TYR  10           HH       TYR  10   0.958   6.009   6.221
   96    H    TRP  11           HN       TRP  11   2.137   2.615   1.106
   97    HA   TRP  11           HA       TRP  11  -0.329   3.843   1.937
   98    HB2  TRP  11           HB2      TRP  11   0.412   5.858   0.766
   99    HB3  TRP  11           HB1      TRP  11   1.611   5.260   1.896
  100    HD1  TRP  11           HD1      TRP  11   3.823   4.079   0.757
  101    HE1  TRP  11           HE1      TRP  11   5.006   4.644  -1.459
  102    HE3  TRP  11           HE3      TRP  11   0.043   6.618  -1.546
  103    HZ2  TRP  11           HZ2      TRP  11   4.413   5.992  -3.862
  104    HZ3  TRP  11           HZ3      TRP  11   0.432   7.524  -3.802
  105    HH2  TRP  11           HH2      TRP  11   2.573   7.216  -4.935
  106    H    LEU  12           HN       LEU  12   0.886   2.462  -1.088
  107    HA   LEU  12           HA       LEU  12  -1.214   3.457  -2.709
  108    HB2  LEU  12           HB2      LEU  12   0.494   0.992  -3.026
  109    HB3  LEU  12           HB1      LEU  12  -0.611   1.588  -4.250
  110    HG   LEU  12           HG       LEU  12   1.722   3.160  -3.171
  111   HD11  LEU  12          HD11      LEU  12   2.844   2.634  -5.261
  112   HD12  LEU  12          HD12      LEU  12   1.479   1.638  -5.765
  113   HD13  LEU  12          HD13      LEU  12   2.462   1.152  -4.383
  114   HD21  LEU  12          HD21      LEU  12   1.306   4.576  -5.131
  115   HD22  LEU  12          HD22      LEU  12  -0.076   4.539  -4.036
  116   HD23  LEU  12          HD23      LEU  12  -0.107   3.598  -5.527
  117    H    THR  13           HN       THR  13  -1.037   0.886  -0.437
  118    HA   THR  13           HA       THR  13  -3.479  -0.360  -1.409
  119    HB   THR  13           HB       THR  13  -1.336  -1.489  -0.279
  120    HG1  THR  13           HG1      THR  13  -3.202  -2.566  -1.162
  121   HG21  THR  13          HG21      THR  13  -1.844  -2.119   2.054
  122   HG22  THR  13          HG22      THR  13  -3.208  -0.998   2.039
  123   HG23  THR  13          HG23      THR  13  -1.562  -0.387   1.876
  124    H    ASN  14           HN       ASN  14  -2.607   2.143   0.676
  125    HA   ASN  14           HA       ASN  14  -4.899   1.739   2.446
  126    HB2  ASN  14           HB2      ASN  14  -2.254   2.875   2.739
  127    HB3  ASN  14           HB1      ASN  14  -3.509   3.942   3.355
  128   HD21  ASN  14          HD21      ASN  14  -1.420   2.255   4.673
  129   HD22  ASN  14          HD22      ASN  14  -2.286   1.304   5.826
  130    H    LYS  15           HN       LYS  15  -3.484   4.247   0.349
  131    HA   LYS  15           HA       LYS  15  -5.383   6.257   0.947
  132    HB2  LYS  15           HB2      LYS  15  -3.934   5.940  -1.684
  133    HB3  LYS  15           HB1      LYS  15  -4.535   7.427  -0.967
  134    HG2  LYS  15           HG2      LYS  15  -2.287   5.732   0.082
  135    HG3  LYS  15           HG1      LYS  15  -2.122   7.272  -0.769
  136    HD2  LYS  15           HD2      LYS  15  -3.364   8.383   1.044
  137    HD3  LYS  15           HD1      LYS  15  -3.475   6.843   1.896
  138    HE2  LYS  15           HE2      LYS  15  -1.676   8.161   2.826
  139    HE3  LYS  15           HE1      LYS  15  -1.018   6.751   2.001
  140    HZ1  LYS  15           HZ1      LYS  15  -0.506   8.161   0.097
  141    HZ2  LYS  15           HZ2      LYS  15   0.254   8.731   1.495
  142    HZ3  LYS  15           HZ3      LYS  15  -1.126   9.509   0.907
  143    H    VAL  16           HN       VAL  16  -5.329   3.630  -1.249
  144    HA   VAL  16           HA       VAL  16  -7.632   4.232  -2.743
  145    HB   VAL  16           HB       VAL  16  -6.095   2.668  -3.652
  146   HG11  VAL  16          HG11      VAL  16  -6.492   0.966  -1.193
  147   HG12  VAL  16          HG12      VAL  16  -5.093   2.004  -1.482
  148   HG13  VAL  16          HG13      VAL  16  -5.413   0.626  -2.547
  149   HG21  VAL  16          HG21      VAL  16  -8.522   1.148  -2.687
  150   HG22  VAL  16          HG22      VAL  16  -7.474   0.668  -4.024
  151   HG23  VAL  16          HG23      VAL  16  -8.428   2.146  -4.138
  152    HA   PRO  17           HA       PRO  17 -10.565   3.228   0.522
  153    HB2  PRO  17           HB2      PRO  17 -12.757   3.733  -1.053
  154    HB3  PRO  17           HB1      PRO  17 -11.886   4.972  -0.147
  155    HG2  PRO  17           HG2      PRO  17 -11.739   4.285  -3.041
  156    HG3  PRO  17           HG1      PRO  17 -11.638   5.867  -2.252
  157    HD2  PRO  17           HD2      PRO  17  -9.463   4.521  -3.186
  158    HD3  PRO  17           HD1      PRO  17  -9.394   5.644  -1.820
  159    H    ILE  18           HN       ILE  18 -10.884   1.163   0.915
  160    HA   ILE  18           HA       ILE  18 -11.655  -0.607  -1.303
  161    HB   ILE  18           HB       ILE  18 -10.661  -2.462   0.021
  162   HG12  ILE  18          HG12      ILE  18  -9.620  -0.221   1.771
  163   HG13  ILE  18          HG11      ILE  18 -10.833  -1.404   2.242
  164   HG21  ILE  18          HG21      ILE  18  -8.311  -1.859  -0.427
  165   HG22  ILE  18          HG22      ILE  18  -8.806  -0.184  -0.664
  166   HG23  ILE  18          HG23      ILE  18  -9.383  -1.438  -1.761
  167   HD11  ILE  18          HD11      ILE  18  -7.971  -1.999   1.541
  168   HD12  ILE  18          HD12      ILE  18  -9.186  -3.184   2.014
  169   HD13  ILE  18          HD13      ILE  18  -8.660  -1.955   3.164
  170    H    LYS  19           HN       LYS  19 -13.528   0.890   0.090
  171    HA   LYS  19           HA       LYS  19 -14.750  -0.811   2.095
  172    HB2  LYS  19           HB2      LYS  19 -15.613   1.816   0.872
  173    HB3  LYS  19           HB1      LYS  19 -16.516   0.971   2.122
  174    HG2  LYS  19           HG2      LYS  19 -13.676   1.930   2.420
  175    HG3  LYS  19           HG1      LYS  19 -15.101   2.803   2.990
  176    HD2  LYS  19           HD2      LYS  19 -15.667   0.977   4.475
  177    HD3  LYS  19           HD1      LYS  19 -14.324   0.019   3.852
  178    HE2  LYS  19           HE2      LYS  19 -13.791   1.047   6.012
  179    HE3  LYS  19           HE1      LYS  19 -12.735   1.624   4.726
  180    HZ1  LYS  19           HZ1      LYS  19 -13.554   3.383   6.238
  181    HZ2  LYS  19           HZ2      LYS  19 -15.124   3.096   5.681
  182    HZ3  LYS  19           HZ3      LYS  19 -13.939   3.654   4.615
  183    H    ARG  20           HN       ARG  20 -14.996  -0.142  -1.265
  184    HA   ARG  20           HA       ARG  20 -17.517  -1.217  -1.841
  185    HB2  ARG  20           HB2      ARG  20 -16.592  -1.603  -4.115
  186    HB3  ARG  20           HB1      ARG  20 -16.275   0.019  -3.512
  187    HG2  ARG  20           HG2      ARG  20 -13.994  -0.631  -2.943
  188    HG3  ARG  20           HG1      ARG  20 -14.312  -2.267  -3.523
  189    HD2  ARG  20           HD2      ARG  20 -14.714  -1.410  -5.762
  190    HD3  ARG  20           HD1      ARG  20 -14.459   0.239  -5.195
  191    HE   ARG  20           HE       ARG  20 -12.197  -1.313  -4.573
  192   HH11  ARG  20          HH11      ARG  20 -13.842   0.018  -7.359
  193   HH12  ARG  20          HH12      ARG  20 -12.394   0.195  -8.297
  194   HH21  ARG  20          HH21      ARG  20 -10.279  -1.087  -5.805
  195   HH22  ARG  20          HH22      ARG  20 -10.366  -0.445  -7.413
  196    HA   PRO  21           HA       PRO  21 -16.850  -5.478  -0.888
  197    HB2  PRO  21           HB2      PRO  21 -19.017  -6.526  -2.108
  198    HB3  PRO  21           HB1      PRO  21 -19.129  -5.569  -0.628
  199    HG2  PRO  21           HG2      PRO  21 -19.638  -4.748  -3.455
  200    HG3  PRO  21           HG1      PRO  21 -20.550  -4.344  -1.991
  201    HD2  PRO  21           HD2      PRO  21 -18.750  -2.659  -3.161
  202    HD3  PRO  21           HD1      PRO  21 -19.128  -2.640  -1.428
  203    H    SER  22           HN       SER  22 -14.916  -5.385  -2.344
  204    HA   SER  22           HA       SER  22 -15.291  -6.616  -4.943
  205    HB2  SER  22           HB2      SER  22 -12.732  -5.876  -3.502
  206    HB3  SER  22           HB1      SER  22 -12.880  -6.335  -5.198
  207    HG   SER  22           HG       SER  22 -12.905  -3.948  -4.401
  Start of MODEL    2
    1    H1   LEU   1           HT1      LEU   1   9.737  -9.010   1.550
    2    H2   LEU   1           HT2      LEU   1  11.080  -8.600   0.607
    3    H3   LEU   1           HT3      LEU   1   9.845  -7.474   0.852
    4    HA   LEU   1           HA       LEU   1  10.342  -7.327   3.168
    5    HB2  LEU   1           HB2      LEU   1  11.144  -9.714   3.310
    6    HB3  LEU   1           HB1      LEU   1  12.647  -9.187   2.577
    7    HG   LEU   1           HG       LEU   1  12.957  -7.624   4.517
    8   HD11  LEU   1          HD11      LEU   1  11.664  -8.081   6.551
    9   HD12  LEU   1          HD12      LEU   1  10.636  -9.186   5.641
   10   HD13  LEU   1          HD13      LEU   1  10.649  -7.468   5.247
   11   HD21  LEU   1          HD21      LEU   1  12.758 -10.566   5.135
   12   HD22  LEU   1          HD22      LEU   1  13.679  -9.382   6.059
   13   HD23  LEU   1          HD23      LEU   1  14.131  -9.747   4.395
   14    H    ARG   2           HN       ARG   2  10.541  -5.391   1.737
   15    HA   ARG   2           HA       ARG   2  13.327  -4.481   1.749
   16    HB2  ARG   2           HB2      ARG   2  12.208  -5.229  -0.602
   17    HB3  ARG   2           HB1      ARG   2  11.645  -3.565  -0.515
   18    HG2  ARG   2           HG2      ARG   2  13.672  -3.658  -1.790
   19    HG3  ARG   2           HG1      ARG   2  13.983  -2.821  -0.269
   20    HD2  ARG   2           HD2      ARG   2  15.046  -4.749   0.657
   21    HD3  ARG   2           HD1      ARG   2  14.551  -5.746  -0.707
   22    HE   ARG   2           HE       ARG   2  16.035  -4.099  -2.029
   23   HH11  ARG   2          HH11      ARG   2  16.661  -5.161   1.254
   24   HH12  ARG   2          HH12      ARG   2  18.384  -5.056   1.089
   25   HH21  ARG   2          HH21      ARG   2  18.310  -3.982  -2.244
   26   HH22  ARG   2          HH22      ARG   2  19.320  -4.390  -0.893
   27    H    LEU   3           HN       LEU   3  13.277  -1.957   1.374
   28    HA   LEU   3           HA       LEU   3  11.375  -0.958   3.264
   29    HB2  LEU   3           HB2      LEU   3  13.601  -0.064   3.328
   30    HB3  LEU   3           HB1      LEU   3  13.502   0.427   1.648
   31    HG   LEU   3           HG       LEU   3  11.836   2.112   2.196
   32   HD11  LEU   3          HD11      LEU   3  12.144   1.173   5.043
   33   HD12  LEU   3          HD12      LEU   3  10.723   0.937   4.021
   34   HD13  LEU   3          HD13      LEU   3  11.206   2.566   4.503
   35   HD21  LEU   3          HD21      LEU   3  13.234   3.592   3.557
   36   HD22  LEU   3          HD22      LEU   3  14.174   2.744   2.329
   37   HD23  LEU   3          HD23      LEU   3  14.238   2.216   4.010
   38    H    ILE   4           HN       ILE   4  12.151   0.120  -0.004
   39    HA   ILE   4           HA       ILE   4   9.999   1.869  -0.242
   40    HB   ILE   4           HB       ILE   4  11.679   0.522  -2.330
   41   HG12  ILE   4          HG12      ILE   4  12.824   2.011  -0.729
   42   HG13  ILE   4          HG11      ILE   4  12.857   2.648  -2.368
   43   HG21  ILE   4          HG21      ILE   4   9.678   2.747  -2.656
   44   HG22  ILE   4          HG22      ILE   4   9.638   1.153  -3.413
   45   HG23  ILE   4          HG23      ILE   4  10.891   2.311  -3.860
   46   HD11  ILE   4          HD11      ILE   4  10.994   4.152  -1.780
   47   HD12  ILE   4          HD12      ILE   4  12.441   4.425  -0.811
   48   HD13  ILE   4          HD13      ILE   4  11.073   3.551  -0.124
   49    H    HIS   5           HN       HIS   5  10.227  -1.539  -0.986
   50    HA   HIS   5           HA       HIS   5   7.796  -1.593  -2.523
   51    HB2  HIS   5           HB2      HIS   5   9.374  -3.893  -1.347
   52    HB3  HIS   5           HB1      HIS   5   8.094  -4.024  -2.549
   53    HD1  HIS   5           HD1      HIS   5   8.831  -3.966  -4.934
   54    HD2  HIS   5           HD2      HIS   5  11.654  -2.349  -2.348
   55    HE1  HIS   5           HE1      HIS   5  10.846  -3.464  -6.354
   56    HE2  HIS   5           HE2      HIS   5  12.586  -2.611  -4.750
   57    H    ALA   6           HN       ALA   6   8.660  -1.762   0.765
   58    HA   ALA   6           HA       ALA   6   6.164  -2.937   1.645
   59    HB1  ALA   6           HB1      ALA   6   8.388  -1.630   3.217
   60    HB2  ALA   6           HB2      ALA   6   8.261  -3.357   2.877
   61    HB3  ALA   6           HB3      ALA   6   7.048  -2.565   3.888
   62    H    VAL   7           HN       VAL   7   7.792   0.122   1.378
   63    HA   VAL   7           HA       VAL   7   5.935   1.764   2.669
   64    HB   VAL   7           HB       VAL   7   7.944   2.319   0.494
   65   HG11  VAL   7          HG11      VAL   7   7.624   4.735   1.067
   66   HG12  VAL   7          HG12      VAL   7   6.154   4.272   1.927
   67   HG13  VAL   7          HG13      VAL   7   6.285   3.995   0.186
   68   HG21  VAL   7          HG21      VAL   7   8.895   1.716   2.614
   69   HG22  VAL   7          HG22      VAL   7   7.885   2.900   3.443
   70   HG23  VAL   7          HG23      VAL   7   9.147   3.438   2.330
   71    H    ARG   8           HN       ARG   8   6.399   1.199  -0.816
   72    HA   ARG   8           HA       ARG   8   4.086   2.696  -1.500
   73    HB2  ARG   8           HB2      ARG   8   5.696   0.738  -3.141
   74    HB3  ARG   8           HB1      ARG   8   4.499   1.861  -3.782
   75    HG2  ARG   8           HG2      ARG   8   5.819   3.749  -3.020
   76    HG3  ARG   8           HG1      ARG   8   6.999   2.656  -2.300
   77    HD2  ARG   8           HD2      ARG   8   7.916   3.351  -4.362
   78    HD3  ARG   8           HD1      ARG   8   7.346   1.705  -4.612
   79    HE   ARG   8           HE       ARG   8   5.251   3.133  -5.459
   80   HH11  ARG   8          HH11      ARG   8   8.667   3.440  -6.120
   81   HH12  ARG   8          HH12      ARG   8   8.437   4.062  -7.721
   82   HH21  ARG   8          HH21      ARG   8   4.940   3.979  -7.574
   83   HH22  ARG   8          HH22      ARG   8   6.322   4.371  -8.545
   84    H    GLY   9           HN       GLY   9   4.721  -0.706  -0.958
   85    HA2  GLY   9           HA2      GLY   9   2.063  -1.549  -1.649
   86    HA3  GLY   9           HA1      GLY   9   3.263  -2.490  -0.766
   87    H    TYR  10           HN       TYR  10   3.230   0.289   0.845
   88    HA   TYR  10           HA       TYR  10   1.164  -0.526   2.710
   89    HB2  TYR  10           HB2      TYR  10   3.051   0.030   3.920
   90    HB3  TYR  10           HB1      TYR  10   3.540   1.267   2.780
   91    HD1  TYR  10           HD1      TYR  10   0.765   0.632   5.215
   92    HD2  TYR  10           HD2      TYR  10   3.436   3.412   3.440
   93    HE1  TYR  10           HE1      TYR  10  -0.077   2.392   6.720
   94    HE2  TYR  10           HE2      TYR  10   2.612   5.180   4.930
   95    HH   TYR  10           HH       TYR  10   0.654   4.530   7.646
   96    H    TRP  11           HN       TRP  11   2.119   2.545   1.075
   97    HA   TRP  11           HA       TRP  11  -0.383   3.673   1.934
   98    HB2  TRP  11           HB2      TRP  11   0.384   5.777   0.988
   99    HB3  TRP  11           HB1      TRP  11   1.573   5.073   2.065
  100    HD1  TRP  11           HD1      TRP  11   3.854   4.182   0.925
  101    HE1  TRP  11           HE1      TRP  11   5.018   4.879  -1.264
  102    HE3  TRP  11           HE3      TRP  11  -0.073   6.503  -1.364
  103    HZ2  TRP  11           HZ2      TRP  11   4.350   6.238  -3.646
  104    HZ3  TRP  11           HZ3      TRP  11   0.274   7.490  -3.591
  105    HH2  TRP  11           HH2      TRP  11   2.437   7.360  -4.708
  106    H    LEU  12           HN       LEU  12   0.744   2.279  -1.055
  107    HA   LEU  12           HA       LEU  12  -1.290   3.537  -2.666
  108    HB2  LEU  12           HB2      LEU  12   0.453   1.111  -3.143
  109    HB3  LEU  12           HB1      LEU  12  -0.668   1.761  -4.326
  110    HG   LEU  12           HG       LEU  12   1.662   3.293  -3.174
  111   HD11  LEU  12          HD11      LEU  12   1.387   1.942  -5.861
  112   HD12  LEU  12          HD12      LEU  12   2.413   1.390  -4.538
  113   HD13  LEU  12          HD13      LEU  12   2.743   2.933  -5.326
  114   HD21  LEU  12          HD21      LEU  12  -0.236   3.861  -5.442
  115   HD22  LEU  12          HD22      LEU  12   1.186   4.823  -5.035
  116   HD23  LEU  12          HD23      LEU  12  -0.153   4.701  -3.894
  117    H    THR  13           HN       THR  13  -0.987   1.030  -0.496
  118    HA   THR  13           HA       THR  13  -3.330  -0.430  -1.264
  119    HB   THR  13           HB       THR  13  -1.575  -0.709   1.168
  120    HG1  THR  13           HG1      THR  13  -0.138  -1.791  -0.086
  121   HG21  THR  13          HG21      THR  13  -3.155  -2.666  -0.452
  122   HG22  THR  13          HG22      THR  13  -3.590  -2.046   1.138
  123   HG23  THR  13          HG23      THR  13  -2.154  -3.050   0.941
  124    H    ASN  14           HN       ASN  14  -2.521   2.255   0.727
  125    HA   ASN  14           HA       ASN  14  -4.760   1.780   2.562
  126    HB2  ASN  14           HB2      ASN  14  -2.282   3.424   2.720
  127    HB3  ASN  14           HB1      ASN  14  -3.691   3.930   3.636
  128   HD21  ASN  14          HD21      ASN  14  -2.915   0.587   2.985
  129   HD22  ASN  14          HD22      ASN  14  -2.517   0.163   4.609
  130    H    LYS  15           HN       LYS  15  -3.409   4.493   0.665
  131    HA   LYS  15           HA       LYS  15  -5.363   6.375   1.313
  132    HB2  LYS  15           HB2      LYS  15  -3.890   6.254  -1.306
  133    HB3  LYS  15           HB1      LYS  15  -4.528   7.681  -0.495
  134    HG2  LYS  15           HG2      LYS  15  -2.938   7.016   1.422
  135    HG3  LYS  15           HG1      LYS  15  -2.151   6.020   0.191
  136    HD2  LYS  15           HD2      LYS  15  -1.792   7.970  -1.193
  137    HD3  LYS  15           HD1      LYS  15  -2.690   8.969  -0.051
  138    HE2  LYS  15           HE2      LYS  15  -0.990   8.469   1.672
  139    HE3  LYS  15           HE1      LYS  15  -0.081   7.552   0.477
  140    HZ1  LYS  15           HZ1      LYS  15   0.805   9.770   0.713
  141    HZ2  LYS  15           HZ2      LYS  15  -0.696  10.448   0.337
  142    HZ3  LYS  15           HZ3      LYS  15   0.150   9.575  -0.833
  143    H    VAL  16           HN       VAL  16  -5.279   3.983  -1.170
  144    HA   VAL  16           HA       VAL  16  -7.519   4.658  -2.672
  145    HB   VAL  16           HB       VAL  16  -6.056   3.026  -3.532
  146   HG11  VAL  16          HG11      VAL  16  -6.541   1.398  -1.040
  147   HG12  VAL  16          HG12      VAL  16  -5.084   2.335  -1.389
  148   HG13  VAL  16          HG13      VAL  16  -5.508   0.941  -2.394
  149   HG21  VAL  16          HG21      VAL  16  -7.495   1.015  -3.848
  150   HG22  VAL  16          HG22      VAL  16  -8.326   2.541  -4.147
  151   HG23  VAL  16          HG23      VAL  16  -8.596   1.674  -2.637
  152    HA   PRO  17           HA       PRO  17 -10.613   3.855   0.536
  153    HB2  PRO  17           HB2      PRO  17 -12.702   4.802  -0.926
  154    HB3  PRO  17           HB1      PRO  17 -11.595   5.850  -0.035
  155    HG2  PRO  17           HG2      PRO  17 -11.628   5.169  -2.947
  156    HG3  PRO  17           HG1      PRO  17 -11.346   6.736  -2.167
  157    HD2  PRO  17           HD2      PRO  17  -9.328   5.198  -3.108
  158    HD3  PRO  17           HD1      PRO  17  -9.151   6.241  -1.688
  159    H    ILE  18           HN       ILE  18 -11.203   1.811   0.783
  160    HA   ILE  18           HA       ILE  18 -12.677   0.498  -1.396
  161    HB   ILE  18           HB       ILE  18 -11.655  -1.681  -0.721
  162   HG12  ILE  18          HG12      ILE  18  -9.726   0.089   0.800
  163   HG13  ILE  18          HG11      ILE  18 -10.900  -1.005   1.522
  164   HG21  ILE  18          HG21      ILE  18 -10.884  -0.544  -2.709
  165   HG22  ILE  18          HG22      ILE  18  -9.524  -1.316  -1.895
  166   HG23  ILE  18          HG23      ILE  18  -9.766   0.424  -1.753
  167   HD11  ILE  18          HD11      ILE  18  -8.554  -1.790  -0.190
  168   HD12  ILE  18          HD12      ILE  18  -9.747  -2.902   0.484
  169   HD13  ILE  18          HD13      ILE  18  -8.694  -1.982   1.558
  170    H    LYS  19           HN       LYS  19 -13.839   1.858   0.725
  171    HA   LYS  19           HA       LYS  19 -14.734  -0.218   2.579
  172    HB2  LYS  19           HB2      LYS  19 -15.296   2.746   2.501
  173    HB3  LYS  19           HB1      LYS  19 -15.959   1.645   3.699
  174    HG2  LYS  19           HG2      LYS  19 -13.699   1.105   4.459
  175    HG3  LYS  19           HG1      LYS  19 -13.032   2.212   3.257
  176    HD2  LYS  19           HD2      LYS  19 -14.133   4.086   4.318
  177    HD3  LYS  19           HD1      LYS  19 -14.933   3.005   5.460
  178    HE2  LYS  19           HE2      LYS  19 -13.028   4.094   6.503
  179    HE3  LYS  19           HE1      LYS  19 -12.754   2.359   6.370
  180    HZ1  LYS  19           HZ1      LYS  19 -10.797   3.640   5.767
  181    HZ2  LYS  19           HZ2      LYS  19 -11.652   4.417   4.536
  182    HZ3  LYS  19           HZ3      LYS  19 -11.365   2.752   4.448
  183    H    ARG  20           HN       ARG  20 -15.719   1.444  -0.247
  184    HA   ARG  20           HA       ARG  20 -18.482   0.553  -0.010
  185    HB2  ARG  20           HB2      ARG  20 -17.055   2.089  -2.194
  186    HB3  ARG  20           HB1      ARG  20 -18.760   1.688  -2.209
  187    HG2  ARG  20           HG2      ARG  20 -19.144   3.031  -0.252
  188    HG3  ARG  20           HG1      ARG  20 -17.421   3.365  -0.136
  189    HD2  ARG  20           HD2      ARG  20 -18.625   5.238  -1.139
  190    HD3  ARG  20           HD1      ARG  20 -17.475   4.527  -2.269
  191    HE   ARG  20           HE       ARG  20 -19.774   3.247  -2.870
  192   HH11  ARG  20          HH11      ARG  20 -18.982   6.637  -2.502
  193   HH12  ARG  20          HH12      ARG  20 -20.150   7.167  -3.670
  194   HH21  ARG  20          HH21      ARG  20 -21.310   3.938  -4.404
  195   HH22  ARG  20          HH22      ARG  20 -21.467   5.630  -4.763
  196    HA   PRO  21           HA       PRO  21 -17.658  -3.084  -2.392
  197    HB2  PRO  21           HB2      PRO  21 -20.295  -3.236  -3.499
  198    HB3  PRO  21           HB1      PRO  21 -19.652  -4.103  -2.106
  199    HG2  PRO  21           HG2      PRO  21 -21.611  -2.158  -1.992
  200    HG3  PRO  21           HG1      PRO  21 -20.595  -2.657  -0.630
  201    HD2  PRO  21           HD2      PRO  21 -20.354  -0.270  -2.403
  202    HD3  PRO  21           HD1      PRO  21 -20.026  -0.429  -0.667
  203    H    SER  22           HN       SER  22 -17.329  -0.427  -3.719
  204    HA   SER  22           HA       SER  22 -17.643  -1.331  -6.498
  205    HB2  SER  22           HB2      SER  22 -17.699   1.117  -7.091
  206    HB3  SER  22           HB1      SER  22 -19.088   0.562  -6.159
  207    HG   SER  22           HG       SER  22 -16.802   1.775  -4.999
  Start of MODEL    3
    1    H1   LEU   1           HT1      LEU   1  12.216  -8.415   0.241
    2    H2   LEU   1           HT2      LEU   1  11.056  -9.474   0.864
    3    H3   LEU   1           HT3      LEU   1  12.310  -8.915   1.851
    4    HA   LEU   1           HA       LEU   1  10.148  -7.277   0.690
    5    HB2  LEU   1           HB2      LEU   1   9.456  -8.737   2.562
    6    HB3  LEU   1           HB1      LEU   1  10.727  -8.048   3.553
    7    HG   LEU   1           HG       LEU   1   9.611  -5.826   3.355
    8   HD11  LEU   1          HD11      LEU   1   7.416  -7.434   2.061
    9   HD12  LEU   1          HD12      LEU   1   8.395  -6.189   1.287
   10   HD13  LEU   1          HD13      LEU   1   7.289  -5.757   2.589
   11   HD21  LEU   1          HD21      LEU   1   7.790  -6.349   4.905
   12   HD22  LEU   1          HD22      LEU   1   9.265  -7.226   5.310
   13   HD23  LEU   1          HD23      LEU   1   7.940  -8.059   4.499
   14    H    ARG   2           HN       ARG   2  11.104  -5.446   0.040
   15    HA   ARG   2           HA       ARG   2  13.459  -4.420   1.381
   16    HB2  ARG   2           HB2      ARG   2  11.841  -3.405  -0.946
   17    HB3  ARG   2           HB1      ARG   2  13.224  -2.552  -0.295
   18    HG2  ARG   2           HG2      ARG   2  13.202  -5.241  -1.627
   19    HG3  ARG   2           HG1      ARG   2  13.895  -3.728  -2.219
   20    HD2  ARG   2           HD2      ARG   2  15.501  -3.748  -0.370
   21    HD3  ARG   2           HD1      ARG   2  14.820  -5.272   0.198
   22    HE   ARG   2           HE       ARG   2  15.524  -5.742  -2.406
   23   HH11  ARG   2          HH11      ARG   2  17.195  -4.662   0.466
   24   HH12  ARG   2          HH12      ARG   2  18.721  -5.328  -0.017
   25   HH21  ARG   2          HH21      ARG   2  17.538  -6.636  -3.042
   26   HH22  ARG   2          HH22      ARG   2  18.915  -6.457  -2.001
   27    H    LEU   3           HN       LEU   3  13.334  -1.812   1.414
   28    HA   LEU   3           HA       LEU   3  11.341  -1.130   3.370
   29    HB2  LEU   3           HB2      LEU   3  13.549  -0.234   3.660
   30    HB3  LEU   3           HB1      LEU   3  13.541   0.433   2.040
   31    HG   LEU   3           HG       LEU   3  11.846   2.061   2.682
   32   HD11  LEU   3          HD11      LEU   3  10.649   0.725   4.323
   33   HD12  LEU   3          HD12      LEU   3  11.128   2.282   4.998
   34   HD13  LEU   3          HD13      LEU   3  12.026   0.825   5.423
   35   HD21  LEU   3          HD21      LEU   3  14.164   1.972   4.608
   36   HD22  LEU   3          HD22      LEU   3  13.190   3.394   4.231
   37   HD23  LEU   3          HD23      LEU   3  14.190   2.652   2.982
   38    H    ILE   4           HN       ILE   4  12.212  -0.009   0.122
   39    HA   ILE   4           HA       ILE   4  10.099   1.910   0.074
   40    HB   ILE   4           HB       ILE   4  11.982   0.914  -2.033
   41   HG12  ILE   4          HG12      ILE   4  12.901   2.281  -0.202
   42   HG13  ILE   4          HG11      ILE   4  13.000   3.110  -1.751
   43   HG21  ILE   4          HG21      ILE   4   9.887   3.061  -2.306
   44   HG22  ILE   4          HG22      ILE   4   9.966   1.540  -3.198
   45   HG23  ILE   4          HG23      ILE   4  11.198   2.777  -3.451
   46   HD11  ILE   4          HD11      ILE   4  10.987   3.618   0.426
   47   HD12  ILE   4          HD12      ILE   4  11.007   4.417  -1.145
   48   HD13  ILE   4          HD13      ILE   4  12.344   4.651  -0.021
   49    H    HIS   5           HN       HIS   5  10.459  -1.366  -0.997
   50    HA   HIS   5           HA       HIS   5   8.083  -1.333  -2.634
   51    HB2  HIS   5           HB2      HIS   5   9.716  -3.667  -1.620
   52    HB3  HIS   5           HB1      HIS   5   8.443  -3.762  -2.834
   53    HD1  HIS   5           HD1      HIS   5   9.179  -3.478  -5.206
   54    HD2  HIS   5           HD2      HIS   5  11.951  -2.017  -2.481
   55    HE1  HIS   5           HE1      HIS   5  11.158  -2.755  -6.580
   56    HE2  HIS   5           HE2      HIS   5  12.891  -2.034  -4.898
   57    H    ALA   6           HN       ALA   6   8.854  -1.721   0.643
   58    HA   ALA   6           HA       ALA   6   6.364  -3.014   1.368
   59    HB1  ALA   6           HB1      ALA   6   8.505  -1.744   3.077
   60    HB2  ALA   6           HB2      ALA   6   8.434  -3.451   2.632
   61    HB3  ALA   6           HB3      ALA   6   7.173  -2.750   3.654
   62    H    VAL   7           HN       VAL   7   7.918   0.100   1.353
   63    HA   VAL   7           HA       VAL   7   5.988   1.649   2.606
   64    HB   VAL   7           HB       VAL   7   8.054   2.247   0.511
   65   HG11  VAL   7          HG11      VAL   7   6.044   4.175   1.656
   66   HG12  VAL   7          HG12      VAL   7   6.353   3.805  -0.050
   67   HG13  VAL   7          HG13      VAL   7   7.559   4.674   0.905
   68   HG21  VAL   7          HG21      VAL   7   9.034   3.558   2.356
   69   HG22  VAL   7          HG22      VAL   7   8.863   1.844   2.734
   70   HG23  VAL   7          HG23      VAL   7   7.721   3.012   3.401
   71    H    ARG   8           HN       ARG   8   6.472   1.091  -0.867
   72    HA   ARG   8           HA       ARG   8   4.199   2.547  -1.659
   73    HB2  ARG   8           HB2      ARG   8   5.745   0.400  -3.101
   74    HB3  ARG   8           HB1      ARG   8   4.561   1.462  -3.857
   75    HG2  ARG   8           HG2      ARG   8   5.919   3.402  -3.289
   76    HG3  ARG   8           HG1      ARG   8   7.094   2.358  -2.490
   77    HD2  ARG   8           HD2      ARG   8   7.861   2.947  -4.721
   78    HD3  ARG   8           HD1      ARG   8   7.521   1.219  -4.624
   79    HE   ARG   8           HE       ARG   8   5.293   2.746  -5.588
   80   HH11  ARG   8          HH11      ARG   8   8.299   1.219  -6.532
   81   HH12  ARG   8          HH12      ARG   8   7.825   1.029  -8.189
   82   HH21  ARG   8          HH21      ARG   8   4.675   2.503  -7.766
   83   HH22  ARG   8          HH22      ARG   8   5.768   1.765  -8.894
   84    H    GLY   9           HN       GLY   9   4.718  -0.873  -1.014
   85    HA2  GLY   9           HA2      GLY   9   2.044  -1.657  -1.662
   86    HA3  GLY   9           HA1      GLY   9   3.219  -2.608  -0.759
   87    H    TYR  10           HN       TYR  10   3.225   0.208   0.801
   88    HA   TYR  10           HA       TYR  10   1.155  -0.553   2.683
   89    HB2  TYR  10           HB2      TYR  10   3.061  -0.045   3.868
   90    HB3  TYR  10           HB1      TYR  10   3.564   1.192   2.729
   91    HD1  TYR  10           HD1      TYR  10   0.680   0.624   5.063
   92    HD2  TYR  10           HD2      TYR  10   3.602   3.287   3.504
   93    HE1  TYR  10           HE1      TYR  10  -0.107   2.379   6.601
   94    HE2  TYR  10           HE2      TYR  10   2.823   5.055   5.027
   95    HH   TYR  10           HH       TYR  10   0.725   5.619   6.273
   96    H    TRP  11           HN       TRP  11   2.133   2.434   0.904
   97    HA   TRP  11           HA       TRP  11  -0.273   3.685   1.868
   98    HB2  TRP  11           HB2      TRP  11   0.480   5.716   0.721
   99    HB3  TRP  11           HB1      TRP  11   1.682   5.067   1.822
  100    HD1  TRP  11           HD1      TRP  11   3.892   4.007   0.693
  101    HE1  TRP  11           HE1      TRP  11   5.033   4.519  -1.550
  102    HE3  TRP  11           HE3      TRP  11   0.005   6.322  -1.667
  103    HZ2  TRP  11           HZ2      TRP  11   4.369   5.746  -4.010
  104    HZ3  TRP  11           HZ3      TRP  11   0.339   7.145  -3.961
  105    HH2  TRP  11           HH2      TRP  11   2.476   6.863  -5.107
  106    H    LEU  12           HN       LEU  12   0.613   2.126  -1.126
  107    HA   LEU  12           HA       LEU  12  -1.404   3.408  -2.698
  108    HB2  LEU  12           HB2      LEU  12   0.006   0.757  -3.039
  109    HB3  LEU  12           HB1      LEU  12  -1.055   1.475  -4.239
  110    HG   LEU  12           HG       LEU  12   1.475   2.785  -3.235
  111   HD11  LEU  12          HD11      LEU  12   0.995   1.204  -5.767
  112   HD12  LEU  12          HD12      LEU  12   2.009   0.711  -4.410
  113   HD13  LEU  12          HD13      LEU  12   2.455   2.114  -5.381
  114   HD21  LEU  12          HD21      LEU  12   1.175   4.191  -5.228
  115   HD22  LEU  12          HD22      LEU  12  -0.167   4.337  -4.094
  116   HD23  LEU  12          HD23      LEU  12  -0.354   3.375  -5.561
  117    H    THR  13           HN       THR  13  -1.242   0.886  -0.445
  118    HA   THR  13           HA       THR  13  -3.723  -0.402  -1.011
  119    HB   THR  13           HB       THR  13  -2.515  -0.720   1.636
  120    HG1  THR  13           HG1      THR  13  -0.545  -1.538   0.781
  121   HG21  THR  13          HG21      THR  13  -2.791  -2.610  -0.680
  122   HG22  THR  13          HG22      THR  13  -4.048  -2.323   0.527
  123   HG23  THR  13          HG23      THR  13  -2.502  -3.031   1.007
  124    H    ASN  14           HN       ASN  14  -2.660   2.274   0.902
  125    HA   ASN  14           HA       ASN  14  -5.120   2.238   2.489
  126    HB2  ASN  14           HB2      ASN  14  -2.437   3.461   2.905
  127    HB3  ASN  14           HB1      ASN  14  -3.837   4.083   3.764
  128   HD21  ASN  14          HD21      ASN  14  -1.663   1.406   3.386
  129   HD22  ASN  14          HD22      ASN  14  -2.163   0.547   4.803
  130    H    LYS  15           HN       LYS  15  -3.305   4.292   0.248
  131    HA   LYS  15           HA       LYS  15  -4.732   6.671   0.698
  132    HB2  LYS  15           HB2      LYS  15  -3.861   7.437  -1.451
  133    HB3  LYS  15           HB1      LYS  15  -2.610   6.647  -0.511
  134    HG2  LYS  15           HG2      LYS  15  -2.223   5.820  -2.618
  135    HG3  LYS  15           HG1      LYS  15  -3.234   4.555  -1.917
  136    HD2  LYS  15           HD2      LYS  15  -5.208   5.627  -2.978
  137    HD3  LYS  15           HD1      LYS  15  -4.116   6.764  -3.773
  138    HE2  LYS  15           HE2      LYS  15  -2.992   4.901  -4.890
  139    HE3  LYS  15           HE1      LYS  15  -4.079   3.764  -4.091
  140    HZ1  LYS  15           HZ1      LYS  15  -4.849   5.861  -6.043
  141    HZ2  LYS  15           HZ2      LYS  15  -5.942   4.870  -5.221
  142    HZ3  LYS  15           HZ3      LYS  15  -4.843   4.194  -6.310
  143    H    VAL  16           HN       VAL  16  -5.500   3.867  -1.090
  144    HA   VAL  16           HA       VAL  16  -7.640   4.808  -2.637
  145    HB   VAL  16           HB       VAL  16  -6.742   2.676  -3.178
  146   HG11  VAL  16          HG11      VAL  16  -5.819   2.182  -0.929
  147   HG12  VAL  16          HG12      VAL  16  -6.646   0.798  -1.653
  148   HG13  VAL  16          HG13      VAL  16  -7.442   1.743  -0.394
  149   HG21  VAL  16          HG21      VAL  16  -9.139   2.813  -3.532
  150   HG22  VAL  16          HG22      VAL  16  -9.438   2.280  -1.877
  151   HG23  VAL  16          HG23      VAL  16  -8.700   1.176  -3.040
  152    HA   PRO  17           HA       PRO  17 -10.355   5.586   0.877
  153    HB2  PRO  17           HB2      PRO  17 -12.396   6.592  -0.643
  154    HB3  PRO  17           HB1      PRO  17 -11.014   7.550  -0.105
  155    HG2  PRO  17           HG2      PRO  17 -11.520   6.275  -2.756
  156    HG3  PRO  17           HG1      PRO  17 -10.800   7.852  -2.388
  157    HD2  PRO  17           HD2      PRO  17  -9.316   5.689  -3.071
  158    HD3  PRO  17           HD1      PRO  17  -8.722   6.945  -1.975
  159    H    ILE  18           HN       ILE  18 -11.270   3.837   1.694
  160    HA   ILE  18           HA       ILE  18 -12.745   2.003  -0.022
  161    HB   ILE  18           HB       ILE  18 -12.859   0.555   2.017
  162   HG12  ILE  18          HG12      ILE  18 -11.071   2.708   3.175
  163   HG13  ILE  18          HG11      ILE  18 -12.692   2.299   3.722
  164   HG21  ILE  18          HG21      ILE  18 -10.121   1.434   1.111
  165   HG22  ILE  18          HG22      ILE  18 -11.139   0.211   0.351
  166   HG23  ILE  18          HG23      ILE  18 -10.477  -0.070   1.961
  167   HD11  ILE  18          HD11      ILE  18 -10.273   0.515   3.867
  168   HD12  ILE  18          HD12      ILE  18 -11.899   0.088   4.398
  169   HD13  ILE  18          HD13      ILE  18 -11.018   1.383   5.208
  170    H    LYS  19           HN       LYS  19 -13.889   4.480   0.338
  171    HA   LYS  19           HA       LYS  19 -16.001   4.230   2.311
  172    HB2  LYS  19           HB2      LYS  19 -15.366   6.371   0.275
  173    HB3  LYS  19           HB1      LYS  19 -16.730   6.446   1.382
  174    HG2  LYS  19           HG2      LYS  19 -13.835   6.303   2.199
  175    HG3  LYS  19           HG1      LYS  19 -14.822   7.768   2.161
  176    HD2  LYS  19           HD2      LYS  19 -16.368   6.712   3.785
  177    HD3  LYS  19           HD1      LYS  19 -15.283   5.324   3.870
  178    HE2  LYS  19           HE2      LYS  19 -13.480   6.844   4.635
  179    HE3  LYS  19           HE1      LYS  19 -14.647   8.165   4.654
  180    HZ1  LYS  19           HZ1      LYS  19 -14.375   7.209   6.847
  181    HZ2  LYS  19           HZ2      LYS  19 -14.817   5.684   6.272
  182    HZ3  LYS  19           HZ3      LYS  19 -15.948   6.940   6.285
  183    H    ARG  20           HN       ARG  20 -15.445   3.325  -0.882
  184    HA   ARG  20           HA       ARG  20 -18.233   3.417  -1.679
  185    HB2  ARG  20           HB2      ARG  20 -16.009   2.117  -3.228
  186    HB3  ARG  20           HB1      ARG  20 -17.488   2.834  -3.833
  187    HG2  ARG  20           HG2      ARG  20 -15.100   4.293  -2.734
  188    HG3  ARG  20           HG1      ARG  20 -15.617   4.219  -4.418
  189    HD2  ARG  20           HD2      ARG  20 -17.179   5.457  -2.155
  190    HD3  ARG  20           HD1      ARG  20 -16.224   6.342  -3.340
  191    HE   ARG  20           HE       ARG  20 -18.263   4.651  -4.482
  192   HH11  ARG  20          HH11      ARG  20 -17.489   7.820  -3.216
  193   HH12  ARG  20          HH12      ARG  20 -18.793   8.615  -4.041
  194   HH21  ARG  20          HH21      ARG  20 -19.986   5.694  -5.579
  195   HH22  ARG  20          HH22      ARG  20 -20.208   7.404  -5.391
  196    HA   PRO  21           HA       PRO  21 -18.869  -0.888  -0.551
  197    HB2  PRO  21           HB2      PRO  21 -20.814  -1.217  -2.682
  198    HB3  PRO  21           HB1      PRO  21 -21.092  -1.104  -0.944
  199    HG2  PRO  21           HG2      PRO  21 -21.852   0.825  -2.708
  200    HG3  PRO  21           HG1      PRO  21 -21.441   1.154  -1.017
  201    HD2  PRO  21           HD2      PRO  21 -19.781   1.532  -3.478
  202    HD3  PRO  21           HD1      PRO  21 -19.945   2.579  -2.054
  203    H    SER  22           HN       SER  22 -16.661  -0.513  -2.128
  204    HA   SER  22           HA       SER  22 -16.859  -2.597  -4.191
  205    HB2  SER  22           HB2      SER  22 -14.817  -0.367  -4.014
  206    HB3  SER  22           HB1      SER  22 -15.049  -1.491  -5.353
  207    HG   SER  22           HG       SER  22 -17.375  -0.437  -5.068
  Start of MODEL    4
    1    H1   LEU   1           HT1      LEU   1  14.095  -7.439   4.970
    2    H2   LEU   1           HT2      LEU   1  14.299  -8.029   3.402
    3    H3   LEU   1           HT3      LEU   1  13.301  -8.850   4.490
    4    HA   LEU   1           HA       LEU   1  12.006  -7.610   2.889
    5    HB2  LEU   1           HB2      LEU   1  11.139  -7.952   5.169
    6    HB3  LEU   1           HB1      LEU   1  11.921  -6.474   5.690
    7    HG   LEU   1           HG       LEU   1  10.454  -5.177   4.191
    8   HD11  LEU   1          HD11      LEU   1   8.517  -6.276   3.158
    9   HD12  LEU   1          HD12      LEU   1   9.164  -7.845   3.642
   10   HD13  LEU   1          HD13      LEU   1  10.043  -6.847   2.484
   11   HD21  LEU   1          HD21      LEU   1   9.824  -5.564   6.528
   12   HD22  LEU   1          HD22      LEU   1   8.956  -7.021   6.047
   13   HD23  LEU   1          HD23      LEU   1   8.412  -5.443   5.479
   14    H    ARG   2           HN       ARG   2  12.075  -5.981   1.492
   15    HA   ARG   2           HA       ARG   2  14.046  -3.910   1.794
   16    HB2  ARG   2           HB2      ARG   2  13.207  -5.108  -0.382
   17    HB3  ARG   2           HB1      ARG   2  11.926  -3.902  -0.321
   18    HG2  ARG   2           HG2      ARG   2  13.668  -3.144  -1.785
   19    HG3  ARG   2           HG1      ARG   2  13.623  -2.127  -0.348
   20    HD2  ARG   2           HD2      ARG   2  15.913  -2.592  -0.887
   21    HD3  ARG   2           HD1      ARG   2  15.498  -3.464   0.585
   22    HE   ARG   2           HE       ARG   2  15.131  -5.074  -1.738
   23   HH11  ARG   2          HH11      ARG   2  17.539  -3.866   0.494
   24   HH12  ARG   2          HH12      ARG   2  18.664  -5.146   0.178
   25   HH21  ARG   2          HH21      ARG   2  16.607  -6.779  -2.150
   26   HH22  ARG   2          HH22      ARG   2  18.129  -6.806  -1.320
   27    H    LEU   3           HN       LEU   3  13.414  -1.572   1.432
   28    HA   LEU   3           HA       LEU   3  11.314  -0.969   3.317
   29    HB2  LEU   3           HB2      LEU   3  13.417   0.184   3.574
   30    HB3  LEU   3           HB1      LEU   3  13.335   0.767   1.924
   31    HG   LEU   3           HG       LEU   3  11.454   2.200   2.474
   32   HD11  LEU   3          HD11      LEU   3  10.402   0.788   4.156
   33   HD12  LEU   3          HD12      LEU   3  10.667   2.421   4.769
   34   HD13  LEU   3          HD13      LEU   3  11.734   1.110   5.269
   35   HD21  LEU   3          HD21      LEU   3  13.720   2.476   4.445
   36   HD22  LEU   3          HD22      LEU   3  12.596   3.751   3.978
   37   HD23  LEU   3          HD23      LEU   3  13.708   3.078   2.787
   38    H    ILE   4           HN       ILE   4  12.182   0.355   0.160
   39    HA   ILE   4           HA       ILE   4   9.906   1.897  -0.159
   40    HB   ILE   4           HB       ILE   4  11.847   0.787  -2.147
   41   HG12  ILE   4          HG12      ILE   4  12.618   2.426  -0.454
   42   HG13  ILE   4          HG11      ILE   4  12.738   3.044  -2.101
   43   HG21  ILE   4          HG21      ILE   4   9.822   1.123  -3.392
   44   HG22  ILE   4          HG22      ILE   4  10.943   2.435  -3.763
   45   HG23  ILE   4          HG23      ILE   4   9.591   2.713  -2.664
   46   HD11  ILE   4          HD11      ILE   4  11.922   4.758  -0.621
   47   HD12  ILE   4          HD12      ILE   4  10.610   3.712  -0.084
   48   HD13  ILE   4          HD13      ILE   4  10.650   4.294  -1.749
   49    H    HIS   5           HN       HIS   5  10.375  -1.481  -0.959
   50    HA   HIS   5           HA       HIS   5   8.044  -1.635  -2.636
   51    HB2  HIS   5           HB2      HIS   5   9.624  -3.863  -1.333
   52    HB3  HIS   5           HB1      HIS   5   8.402  -4.069  -2.586
   53    HD1  HIS   5           HD1      HIS   5   9.238  -4.013  -4.941
   54    HD2  HIS   5           HD2      HIS   5  11.893  -2.287  -2.257
   55    HE1  HIS   5           HE1      HIS   5  11.278  -3.432  -6.289
   56    HE2  HIS   5           HE2      HIS   5  12.945  -2.585  -4.607
   57    H    ALA   6           HN       ALA   6   8.711  -1.847   0.713
   58    HA   ALA   6           HA       ALA   6   6.156  -3.036   1.391
   59    HB1  ALA   6           HB1      ALA   6   6.921  -2.804   3.692
   60    HB2  ALA   6           HB2      ALA   6   8.299  -1.840   3.153
   61    HB3  ALA   6           HB3      ALA   6   8.185  -3.544   2.706
   62    H    VAL   7           HN       VAL   7   7.819   0.006   1.323
   63    HA   VAL   7           HA       VAL   7   5.986   1.657   2.603
   64    HB   VAL   7           HB       VAL   7   8.010   2.150   0.438
   65   HG11  VAL   7          HG11      VAL   7   6.134   4.160   1.665
   66   HG12  VAL   7          HG12      VAL   7   6.393   3.808  -0.051
   67   HG13  VAL   7          HG13      VAL   7   7.657   4.603   0.891
   68   HG21  VAL   7          HG21      VAL   7   7.840   2.904   3.343
   69   HG22  VAL   7          HG22      VAL   7   9.135   3.390   2.248
   70   HG23  VAL   7          HG23      VAL   7   8.890   1.684   2.621
   71    H    ARG   8           HN       ARG   8   6.377   1.057  -0.882
   72    HA   ARG   8           HA       ARG   8   4.123   2.606  -1.594
   73    HB2  ARG   8           HB2      ARG   8   5.572   0.464  -3.140
   74    HB3  ARG   8           HB1      ARG   8   4.410   1.593  -3.827
   75    HG2  ARG   8           HG2      ARG   8   5.865   3.452  -3.218
   76    HG3  ARG   8           HG1      ARG   8   7.030   2.321  -2.525
   77    HD2  ARG   8           HD2      ARG   8   6.187   2.577  -5.403
   78    HD3  ARG   8           HD1      ARG   8   7.779   2.900  -4.725
   79    HE   ARG   8           HE       ARG   8   6.816   0.187  -4.417
   80   HH11  ARG   8          HH11      ARG   8   8.738   2.409  -6.319
   81   HH12  ARG   8          HH12      ARG   8   9.568   1.152  -7.181
   82   HH21  ARG   8          HH21      ARG   8   7.871  -1.464  -5.563
   83   HH22  ARG   8          HH22      ARG   8   9.062  -1.061  -6.759
   84    H    GLY   9           HN       GLY   9   4.578  -0.804  -0.903
   85    HA2  GLY   9           HA2      GLY   9   1.889  -1.543  -1.571
   86    HA3  GLY   9           HA1      GLY   9   3.035  -2.507  -0.645
   87    H    TYR  10           HN       TYR  10   3.142   0.307   0.880
   88    HA   TYR  10           HA       TYR  10   1.099  -0.401   2.813
   89    HB2  TYR  10           HB2      TYR  10   3.050   0.070   3.948
   90    HB3  TYR  10           HB1      TYR  10   3.557   1.280   2.784
   91    HD1  TYR  10           HD1      TYR  10   3.640   3.402   3.501
   92    HD2  TYR  10           HD2      TYR  10   0.780   0.800   5.259
   93    HE1  TYR  10           HE1      TYR  10   2.948   5.209   5.012
   94    HE2  TYR  10           HE2      TYR  10   0.071   2.598   6.783
   95    HH   TYR  10           HH       TYR  10   0.844   4.649   7.702
   96    H    TRP  11           HN       TRP  11   2.118   2.583   1.062
   97    HA   TRP  11           HA       TRP  11  -0.301   3.855   1.965
   98    HB2  TRP  11           HB2      TRP  11   0.531   5.891   0.918
   99    HB3  TRP  11           HB1      TRP  11   1.730   5.164   1.974
  100    HD1  TRP  11           HD1      TRP  11   3.899   4.053   0.738
  101    HE1  TRP  11           HE1      TRP  11   5.005   4.650  -1.515
  102    HE3  TRP  11           HE3      TRP  11   0.044   6.628  -1.385
  103    HZ2  TRP  11           HZ2      TRP  11   4.325   6.037  -3.867
  104    HZ3  TRP  11           HZ3      TRP  11   0.351   7.573  -3.639
  105    HH2  TRP  11           HH2      TRP  11   2.450   7.279  -4.854
  106    H    LEU  12           HN       LEU  12   0.687   2.310  -1.004
  107    HA   LEU  12           HA       LEU  12  -1.360   3.578  -2.595
  108    HB2  LEU  12           HB2      LEU  12   0.362   1.142  -3.071
  109    HB3  LEU  12           HB1      LEU  12  -0.794   1.759  -4.237
  110    HG   LEU  12           HG       LEU  12   1.588   3.296  -3.202
  111   HD11  LEU  12          HD11      LEU  12   2.547   2.900  -5.411
  112   HD12  LEU  12          HD12      LEU  12   1.164   1.896  -5.844
  113   HD13  LEU  12          HD13      LEU  12   2.264   1.379  -4.566
  114   HD21  LEU  12          HD21      LEU  12   1.041   4.815  -5.054
  115   HD22  LEU  12          HD22      LEU  12  -0.245   4.720  -3.850
  116   HD23  LEU  12          HD23      LEU  12  -0.409   3.865  -5.385
  117    H    THR  13           HN       THR  13  -0.974   0.946  -0.518
  118    HA   THR  13           HA       THR  13  -3.375  -0.436  -1.256
  119    HB   THR  13           HB       THR  13  -1.374  -0.819   0.975
  120    HG1  THR  13           HG1      THR  13  -0.261  -2.076  -0.424
  121   HG21  THR  13          HG21      THR  13  -3.335  -2.727  -0.235
  122   HG22  THR  13          HG22      THR  13  -3.467  -1.970   1.349
  123   HG23  THR  13          HG23      THR  13  -2.153  -3.096   1.018
  124    H    ASN  14           HN       ASN  14  -2.622   2.265   0.501
  125    HA   ASN  14           HA       ASN  14  -4.538   1.787   2.664
  126    HB2  ASN  14           HB2      ASN  14  -2.053   3.088   2.487
  127    HB3  ASN  14           HB1      ASN  14  -3.258   4.327   2.798
  128   HD21  ASN  14          HD21      ASN  14  -1.676   1.502   4.002
  129   HD22  ASN  14          HD22      ASN  14  -2.239   1.621   5.632
  130    H    LYS  15           HN       LYS  15  -3.754   4.187   0.161
  131    HA   LYS  15           HA       LYS  15  -5.857   5.979   0.578
  132    HB2  LYS  15           HB2      LYS  15  -4.688   5.198  -2.100
  133    HB3  LYS  15           HB1      LYS  15  -5.508   6.702  -1.715
  134    HG2  LYS  15           HG2      LYS  15  -2.890   5.788  -0.559
  135    HG3  LYS  15           HG1      LYS  15  -3.084   6.965  -1.858
  136    HD2  LYS  15           HD2      LYS  15  -4.475   8.332  -0.259
  137    HD3  LYS  15           HD1      LYS  15  -3.958   7.225   1.013
  138    HE2  LYS  15           HE2      LYS  15  -2.524   9.142   1.063
  139    HE3  LYS  15           HE1      LYS  15  -1.597   7.780   0.440
  140    HZ1  LYS  15           HZ1      LYS  15  -2.850   9.899  -1.221
  141    HZ2  LYS  15           HZ2      LYS  15  -1.917   8.616  -1.797
  142    HZ3  LYS  15           HZ3      LYS  15  -1.209   9.810  -0.833
  143    H    VAL  16           HN       VAL  16  -5.746   2.893  -0.828
  144    HA   VAL  16           HA       VAL  16  -8.417   2.998  -1.939
  145    HB   VAL  16           HB       VAL  16  -6.858   1.866  -3.320
  146   HG11  VAL  16          HG11      VAL  16  -6.071   0.197  -0.932
  147   HG12  VAL  16          HG12      VAL  16  -5.141   1.562  -1.557
  148   HG13  VAL  16          HG13      VAL  16  -5.373   0.113  -2.552
  149   HG21  VAL  16          HG21      VAL  16  -8.998   0.718  -3.176
  150   HG22  VAL  16          HG22      VAL  16  -8.426  -0.216  -1.793
  151   HG23  VAL  16          HG23      VAL  16  -7.692  -0.451  -3.380
  152    HA   PRO  17           HA       PRO  17  -9.933   1.330   1.983
  153    HB2  PRO  17           HB2      PRO  17 -12.550   1.293   1.155
  154    HB3  PRO  17           HB1      PRO  17 -11.759   2.703   1.863
  155    HG2  PRO  17           HG2      PRO  17 -12.312   2.078  -0.998
  156    HG3  PRO  17           HG1      PRO  17 -12.383   3.634  -0.152
  157    HD2  PRO  17           HD2      PRO  17 -10.317   2.917  -1.757
  158    HD3  PRO  17           HD1      PRO  17 -10.118   3.983  -0.354
  159    H    ILE  18           HN       ILE  18  -9.636  -0.767   2.293
  160    HA   ILE  18           HA       ILE  18 -10.079  -2.632   0.118
  161    HB   ILE  18           HB       ILE  18  -8.973  -4.303   1.567
  162   HG12  ILE  18          HG12      ILE  18  -8.681  -1.988   3.498
  163   HG13  ILE  18          HG11      ILE  18  -9.695  -3.403   3.746
  164   HG21  ILE  18          HG21      ILE  18  -6.742  -3.283   1.504
  165   HG22  ILE  18          HG22      ILE  18  -7.481  -1.701   1.255
  166   HG23  ILE  18          HG23      ILE  18  -7.656  -2.958   0.032
  167   HD11  ILE  18          HD11      ILE  18  -6.696  -3.401   3.517
  168   HD12  ILE  18          HD12      ILE  18  -7.712  -4.819   3.771
  169   HD13  ILE  18          HD13      ILE  18  -7.630  -3.562   5.005
  170    H    LYS  19           HN       LYS  19 -12.335  -1.472   1.385
  171    HA   LYS  19           HA       LYS  19 -13.596  -3.798   2.655
  172    HB2  LYS  19           HB2      LYS  19 -14.456  -0.904   2.516
  173    HB3  LYS  19           HB1      LYS  19 -15.431  -2.185   3.221
  174    HG2  LYS  19           HG2      LYS  19 -13.718  -2.604   4.891
  175    HG3  LYS  19           HG1      LYS  19 -12.687  -1.374   4.159
  176    HD2  LYS  19           HD2      LYS  19 -14.310   0.347   4.694
  177    HD3  LYS  19           HD1      LYS  19 -15.416  -0.865   5.341
  178    HE2  LYS  19           HE2      LYS  19 -14.237   0.279   7.140
  179    HE3  LYS  19           HE1      LYS  19 -13.787  -1.424   7.080
  180    HZ1  LYS  19           HZ1      LYS  19 -11.886   0.081   7.414
  181    HZ2  LYS  19           HZ2      LYS  19 -12.177   0.776   5.904
  182    HZ3  LYS  19           HZ3      LYS  19 -11.732  -0.852   6.011
  183    H    ARG  20           HN       ARG  20 -13.245  -2.236  -0.251
  184    HA   ARG  20           HA       ARG  20 -15.806  -2.811  -1.402
  185    HB2  ARG  20           HB2      ARG  20 -14.661  -2.254  -3.549
  186    HB3  ARG  20           HB1      ARG  20 -14.533  -0.995  -2.332
  187    HG2  ARG  20           HG2      ARG  20 -12.260  -1.804  -1.791
  188    HG3  ARG  20           HG1      ARG  20 -12.399  -2.974  -3.103
  189    HD2  ARG  20           HD2      ARG  20 -11.163  -0.953  -3.774
  190    HD3  ARG  20           HD1      ARG  20 -12.632  -1.184  -4.718
  191    HE   ARG  20           HE       ARG  20 -13.274   0.472  -2.576
  192   HH11  ARG  20          HH11      ARG  20 -11.201   0.572  -5.402
  193   HH12  ARG  20          HH12      ARG  20 -11.324   2.292  -5.585
  194   HH21  ARG  20          HH21      ARG  20 -13.453   2.725  -2.831
  195   HH22  ARG  20          HH22      ARG  20 -12.613   3.517  -4.128
  196    HA   PRO  21           HA       PRO  21 -14.972  -7.082  -2.281
  197    HB2  PRO  21           HB2      PRO  21 -17.006  -7.557  -3.991
  198    HB3  PRO  21           HB1      PRO  21 -17.270  -7.315  -2.260
  199    HG2  PRO  21           HG2      PRO  21 -17.609  -5.379  -4.516
  200    HG3  PRO  21           HG1      PRO  21 -18.661  -5.660  -3.117
  201    HD2  PRO  21           HD2      PRO  21 -16.885  -3.598  -3.264
  202    HD3  PRO  21           HD1      PRO  21 -17.382  -4.345  -1.735
  203    H    SER  22           HN       SER  22 -13.001  -6.082  -3.416
  204    HA   SER  22           HA       SER  22 -13.170  -6.669  -6.290
  205    HB2  SER  22           HB2      SER  22 -12.973  -4.207  -5.809
  206    HB3  SER  22           HB1      SER  22 -11.424  -4.533  -5.039
  207    HG   SER  22           HG       SER  22 -11.737  -3.976  -7.504
  Start of MODEL    5
    1    H1   LEU   1           HT1      LEU   1  11.336  -7.735   2.629
    2    H2   LEU   1           HT2      LEU   1   9.889  -8.416   3.156
    3    H3   LEU   1           HT3      LEU   1  10.320  -6.863   3.655
    4    HA   LEU   1           HA       LEU   1   9.732  -7.666   0.870
    5    HB2  LEU   1           HB2      LEU   1   8.095  -6.240   2.960
    6    HB3  LEU   1           HB1      LEU   1   7.781  -6.023   1.254
    7    HG   LEU   1           HG       LEU   1   7.363  -8.479   1.067
    8   HD11  LEU   1          HD11      LEU   1   6.866  -9.690   3.188
    9   HD12  LEU   1          HD12      LEU   1   7.657  -8.377   4.061
   10   HD13  LEU   1          HD13      LEU   1   8.574  -9.359   2.919
   11   HD21  LEU   1          HD21      LEU   1   5.522  -6.919   1.284
   12   HD22  LEU   1          HD22      LEU   1   5.657  -6.973   3.040
   13   HD23  LEU   1          HD23      LEU   1   5.167  -8.414   2.147
   14    H    ARG   2           HN       ARG   2  12.098  -6.339   1.874
   15    HA   ARG   2           HA       ARG   2  13.427  -4.556   1.473
   16    HB2  ARG   2           HB2      ARG   2  11.372  -4.215  -0.674
   17    HB3  ARG   2           HB1      ARG   2  12.587  -2.976  -0.428
   18    HG2  ARG   2           HG2      ARG   2  13.073  -5.858  -1.136
   19    HG3  ARG   2           HG1      ARG   2  13.263  -4.442  -2.176
   20    HD2  ARG   2           HD2      ARG   2  15.023  -3.603  -0.697
   21    HD3  ARG   2           HD1      ARG   2  14.858  -5.036   0.314
   22    HE   ARG   2           HE       ARG   2  15.372  -6.095  -2.103
   23   HH11  ARG   2          HH11      ARG   2  16.938  -3.569  -0.254
   24   HH12  ARG   2          HH12      ARG   2  18.512  -3.886  -0.913
   25   HH21  ARG   2          HH21      ARG   2  17.443  -6.497  -2.993
   26   HH22  ARG   2          HH22      ARG   2  18.798  -5.549  -2.469
   27    H    LEU   3           HN       LEU   3  13.201  -1.980   1.012
   28    HA   LEU   3           HA       LEU   3  11.563  -0.950   3.167
   29    HB2  LEU   3           HB2      LEU   3  13.825  -0.123   3.020
   30    HB3  LEU   3           HB1      LEU   3  13.582   0.337   1.344
   31    HG   LEU   3           HG       LEU   3  12.025   2.080   2.006
   32   HD11  LEU   3          HD11      LEU   3  11.647   2.609   4.357
   33   HD12  LEU   3          HD12      LEU   3  12.571   1.183   4.830
   34   HD13  LEU   3          HD13      LEU   3  11.050   0.998   3.952
   35   HD21  LEU   3          HD21      LEU   3  14.586   2.165   3.593
   36   HD22  LEU   3          HD22      LEU   3  13.587   3.553   3.166
   37   HD23  LEU   3          HD23      LEU   3  14.395   2.626   1.902
   38    H    ILE   4           HN       ILE   4  12.040  -0.337  -0.289
   39    HA   ILE   4           HA       ILE   4  10.041   1.697  -0.324
   40    HB   ILE   4           HB       ILE   4  11.534   0.316  -2.527
   41   HG12  ILE   4          HG12      ILE   4  12.841   1.731  -0.986
   42   HG13  ILE   4          HG11      ILE   4  12.790   2.398  -2.613
   43   HG21  ILE   4          HG21      ILE   4   9.590   2.603  -2.695
   44   HG22  ILE   4          HG22      ILE   4   9.479   1.032  -3.497
   45   HG23  ILE   4          HG23      ILE   4  10.733   2.180  -3.973
   46   HD11  ILE   4          HD11      ILE   4  11.181   3.328  -0.248
   47   HD12  ILE   4          HD12      ILE   4  11.042   3.969  -1.885
   48   HD13  ILE   4          HD13      ILE   4  12.550   4.155  -0.990
   49    H    HIS   5           HN       HIS   5  10.067  -1.705  -0.978
   50    HA   HIS   5           HA       HIS   5   7.519  -1.681  -2.346
   51    HB2  HIS   5           HB2      HIS   5   9.118  -4.016  -1.264
   52    HB3  HIS   5           HB1      HIS   5   7.720  -4.135  -2.329
   53    HD1  HIS   5           HD1      HIS   5   8.215  -4.161  -4.774
   54    HD2  HIS   5           HD2      HIS   5  11.337  -2.577  -2.535
   55    HE1  HIS   5           HE1      HIS   5  10.070  -3.709  -6.415
   56    HE2  HIS   5           HE2      HIS   5  11.997  -2.893  -5.018
   57    H    ALA   6           HN       ALA   6   8.676  -1.752   0.826
   58    HA   ALA   6           HA       ALA   6   6.256  -2.808   2.013
   59    HB1  ALA   6           HB1      ALA   6   8.458  -3.252   3.025
   60    HB2  ALA   6           HB2      ALA   6   7.389  -2.376   4.125
   61    HB3  ALA   6           HB3      ALA   6   8.676  -1.517   3.273
   62    H    VAL   7           HN       VAL   7   7.707   0.160   1.093
   63    HA   VAL   7           HA       VAL   7   6.001   1.821   2.684
   64    HB   VAL   7           HB       VAL   7   7.989   2.416   0.498
   65   HG11  VAL   7          HG11      VAL   7   6.324   4.086   0.195
   66   HG12  VAL   7          HG12      VAL   7   7.637   4.834   1.115
   67   HG13  VAL   7          HG13      VAL   7   6.159   4.328   1.938
   68   HG21  VAL   7          HG21      VAL   7   9.187   3.535   2.339
   69   HG22  VAL   7          HG22      VAL   7   8.948   1.810   2.619
   70   HG23  VAL   7          HG23      VAL   7   7.932   2.986   3.455
   71    H    ARG   8           HN       ARG   8   6.403   1.287  -0.809
   72    HA   ARG   8           HA       ARG   8   4.107   2.817  -1.457
   73    HB2  ARG   8           HB2      ARG   8   5.694   0.849  -3.101
   74    HB3  ARG   8           HB1      ARG   8   4.469   1.939  -3.744
   75    HG2  ARG   8           HG2      ARG   8   5.767   3.861  -3.033
   76    HG3  ARG   8           HG1      ARG   8   6.971   2.799  -2.307
   77    HD2  ARG   8           HD2      ARG   8   7.717   3.613  -4.477
   78    HD3  ARG   8           HD1      ARG   8   7.493   1.869  -4.497
   79    HE   ARG   8           HE       ARG   8   5.162   2.662  -5.471
   80   HH11  ARG   8          HH11      ARG   8   8.375   3.837  -6.197
   81   HH12  ARG   8          HH12      ARG   8   8.017   4.174  -7.860
   82   HH21  ARG   8          HH21      ARG   8   4.674   3.121  -7.651
   83   HH22  ARG   8          HH22      ARG   8   5.908   3.765  -8.686
   84    H    GLY   9           HN       GLY   9   4.691  -0.640  -1.090
   85    HA2  GLY   9           HA2      GLY   9   2.022  -1.421  -1.743
   86    HA3  GLY   9           HA1      GLY   9   3.205  -2.394  -0.872
   87    H    TYR  10           HN       TYR  10   3.221   0.338   0.798
   88    HA   TYR  10           HA       TYR  10   1.209  -0.541   2.685
   89    HB2  TYR  10           HB2      TYR  10   3.133  -0.007   3.848
   90    HB3  TYR  10           HB1      TYR  10   3.565   1.283   2.743
   91    HD1  TYR  10           HD1      TYR  10   0.851   0.509   5.215
   92    HD2  TYR  10           HD2      TYR  10   3.459   3.392   3.504
   93    HE1  TYR  10           HE1      TYR  10   0.017   2.194   6.802
   94    HE2  TYR  10           HE2      TYR  10   2.640   5.089   5.077
   95    HH   TYR  10           HH       TYR  10   0.654   5.525   6.448
   96    H    TRP  11           HN       TRP  11   2.093   2.602   1.140
   97    HA   TRP  11           HA       TRP  11  -0.430   3.633   2.060
   98    HB2  TRP  11           HB2      TRP  11   0.280   5.797   1.199
   99    HB3  TRP  11           HB1      TRP  11   1.486   5.078   2.252
  100    HD1  TRP  11           HD1      TRP  11   3.787   4.251   1.046
  101    HE1  TRP  11           HE1      TRP  11   4.928   5.101  -1.103
  102    HE3  TRP  11           HE3      TRP  11  -0.187   6.641  -1.077
  103    HZ2  TRP  11           HZ2      TRP  11   4.224   6.591  -3.391
  104    HZ3  TRP  11           HZ3      TRP  11   0.125   7.768  -3.243
  105    HH2  TRP  11           HH2      TRP  11   2.288   7.740  -4.373
  106    H    LEU  12           HN       LEU  12   0.705   2.358  -0.967
  107    HA   LEU  12           HA       LEU  12  -1.312   3.671  -2.556
  108    HB2  LEU  12           HB2      LEU  12   0.434   1.269  -3.118
  109    HB3  LEU  12           HB1      LEU  12  -0.649   1.998  -4.288
  110    HG   LEU  12           HG       LEU  12   1.674   3.432  -3.001
  111   HD11  LEU  12          HD11      LEU  12   2.788   3.170  -5.158
  112   HD12  LEU  12          HD12      LEU  12   1.429   2.216  -5.756
  113   HD13  LEU  12          HD13      LEU  12   2.432   1.597  -4.443
  114   HD21  LEU  12          HD21      LEU  12  -0.103   4.909  -3.688
  115   HD22  LEU  12          HD22      LEU  12  -0.161   4.150  -5.280
  116   HD23  LEU  12          HD23      LEU  12   1.265   5.065  -4.789
  117    H    THR  13           HN       THR  13  -0.953   0.971  -0.586
  118    HA   THR  13           HA       THR  13  -3.298  -0.430  -1.452
  119    HB   THR  13           HB       THR  13  -1.336  -0.854   0.807
  120    HG1  THR  13           HG1      THR  13  -0.342  -2.292  -0.644
  121   HG21  THR  13          HG21      THR  13  -3.429  -2.021   1.130
  122   HG22  THR  13          HG22      THR  13  -2.101  -3.129   0.796
  123   HG23  THR  13          HG23      THR  13  -3.271  -2.747  -0.466
  124    H    ASN  14           HN       ASN  14  -2.522   2.128   0.624
  125    HA   ASN  14           HA       ASN  14  -4.777   1.598   2.416
  126    HB2  ASN  14           HB2      ASN  14  -2.254   3.083   2.670
  127    HB3  ASN  14           HB1      ASN  14  -3.653   3.844   3.407
  128   HD21  ASN  14          HD21      ASN  14  -1.522   1.103   3.457
  129   HD22  ASN  14          HD22      ASN  14  -2.013   0.501   5.005
  130    H    LYS  15           HN       LYS  15  -3.443   4.224   0.389
  131    HA   LYS  15           HA       LYS  15  -5.576   6.010   0.930
  132    HB2  LYS  15           HB2      LYS  15  -4.670   7.396  -0.834
  133    HB3  LYS  15           HB1      LYS  15  -3.382   6.802   0.191
  134    HG2  LYS  15           HG2      LYS  15  -2.502   6.621  -1.944
  135    HG3  LYS  15           HG1      LYS  15  -3.078   4.991  -1.613
  136    HD2  LYS  15           HD2      LYS  15  -3.723   5.570  -3.837
  137    HD3  LYS  15           HD1      LYS  15  -5.167   5.539  -2.821
  138    HE2  LYS  15           HE2      LYS  15  -5.231   7.450  -4.290
  139    HE3  LYS  15           HE1      LYS  15  -5.064   7.983  -2.625
  140    HZ1  LYS  15           HZ1      LYS  15  -2.716   8.338  -3.000
  141    HZ2  LYS  15           HZ2      LYS  15  -3.616   9.214  -4.127
  142    HZ3  LYS  15           HZ3      LYS  15  -2.851   7.783  -4.591
  143    H    VAL  16           HN       VAL  16  -5.182   3.457  -1.252
  144    HA   VAL  16           HA       VAL  16  -7.149   4.013  -3.142
  145    HB   VAL  16           HB       VAL  16  -5.582   2.230  -3.526
  146   HG11  VAL  16          HG11      VAL  16  -5.267   1.591  -1.157
  147   HG12  VAL  16          HG12      VAL  16  -5.518   0.197  -2.216
  148   HG13  VAL  16          HG13      VAL  16  -6.834   0.780  -1.197
  149   HG21  VAL  16          HG21      VAL  16  -8.359   1.099  -3.173
  150   HG22  VAL  16          HG22      VAL  16  -7.085   0.412  -4.183
  151   HG23  VAL  16          HG23      VAL  16  -7.772   1.988  -4.580
  152    HA   PRO  17           HA       PRO  17 -10.725   3.538  -0.444
  153    HB2  PRO  17           HB2      PRO  17 -12.528   4.193  -2.387
  154    HB3  PRO  17           HB1      PRO  17 -11.659   5.391  -1.426
  155    HG2  PRO  17           HG2      PRO  17 -11.117   4.434  -4.201
  156    HG3  PRO  17           HG1      PRO  17 -10.990   6.071  -3.533
  157    HD2  PRO  17           HD2      PRO  17  -8.834   4.464  -3.941
  158    HD3  PRO  17           HD1      PRO  17  -8.897   5.683  -2.659
  159    H    ILE  18           HN       ILE  18 -11.255   1.499  -0.064
  160    HA   ILE  18           HA       ILE  18 -11.513  -0.369  -2.270
  161    HB   ILE  18           HB       ILE  18 -11.757  -2.111  -0.511
  162   HG12  ILE  18          HG12      ILE  18 -11.183   0.165   1.399
  163   HG13  ILE  18          HG11      ILE  18 -12.740  -0.637   1.233
  164   HG21  ILE  18          HG21      ILE  18  -9.425  -1.988   0.270
  165   HG22  ILE  18          HG22      ILE  18  -9.347  -0.315  -0.283
  166   HG23  ILE  18          HG23      ILE  18  -9.581  -1.619  -1.447
  167   HD11  ILE  18          HD11      ILE  18 -11.722  -2.737   1.972
  168   HD12  ILE  18          HD12      ILE  18 -11.539  -1.456   3.169
  169   HD13  ILE  18          HD13      ILE  18 -10.173  -1.912   2.152
  170    H    LYS  19           HN       LYS  19 -13.418   1.642  -2.109
  171    HA   LYS  19           HA       LYS  19 -15.868   0.224  -1.316
  172    HB2  LYS  19           HB2      LYS  19 -15.452   3.152  -1.952
  173    HB3  LYS  19           HB1      LYS  19 -16.961   2.423  -1.430
  174    HG2  LYS  19           HG2      LYS  19 -15.974   1.862   0.716
  175    HG3  LYS  19           HG1      LYS  19 -14.426   2.523   0.193
  176    HD2  LYS  19           HD2      LYS  19 -15.465   4.735  -0.055
  177    HD3  LYS  19           HD1      LYS  19 -17.002   4.065   0.493
  178    HE2  LYS  19           HE2      LYS  19 -14.450   4.130   2.097
  179    HE3  LYS  19           HE1      LYS  19 -15.802   5.244   2.288
  180    HZ1  LYS  19           HZ1      LYS  19 -15.890   2.308   2.733
  181    HZ2  LYS  19           HZ2      LYS  19 -17.205   3.358   2.885
  182    HZ3  LYS  19           HZ3      LYS  19 -15.889   3.496   3.934
  183    H    ARG  20           HN       ARG  20 -13.959   1.098  -3.928
  184    HA   ARG  20           HA       ARG  20 -16.084   1.261  -5.890
  185    HB2  ARG  20           HB2      ARG  20 -14.308   1.603  -7.501
  186    HB3  ARG  20           HB1      ARG  20 -13.989   2.603  -6.091
  187    HG2  ARG  20           HG2      ARG  20 -12.369   0.963  -5.288
  188    HG3  ARG  20           HG1      ARG  20 -12.690  -0.043  -6.701
  189    HD2  ARG  20           HD2      ARG  20 -11.958   1.859  -8.132
  190    HD3  ARG  20           HD1      ARG  20 -11.496   2.720  -6.664
  191    HE   ARG  20           HE       ARG  20 -10.331   0.074  -7.195
  192   HH11  ARG  20          HH11      ARG  20  -9.947   3.546  -6.937
  193   HH12  ARG  20          HH12      ARG  20  -8.216   3.486  -6.879
  194   HH21  ARG  20          HH21      ARG  20  -8.042  -0.010  -7.137
  195   HH22  ARG  20          HH22      ARG  20  -7.131   1.461  -7.016
  196    HA   PRO  21           HA       PRO  21 -15.877  -3.101  -6.886
  197    HB2  PRO  21           HB2      PRO  21 -17.085  -3.065  -9.291
  198    HB3  PRO  21           HB1      PRO  21 -17.983  -2.787  -7.795
  199    HG2  PRO  21           HG2      PRO  21 -16.982  -0.810  -9.800
  200    HG3  PRO  21           HG1      PRO  21 -18.526  -0.842  -8.932
  201    HD2  PRO  21           HD2      PRO  21 -16.391   0.730  -8.218
  202    HD3  PRO  21           HD1      PRO  21 -17.647   0.187  -7.091
  203    H    SER  22           HN       SER  22 -13.429  -2.059  -7.128
  204    HA   SER  22           HA       SER  22 -12.362  -3.339  -9.465
  205    HB2  SER  22           HB2      SER  22 -13.010  -1.034 -10.283
  206    HB3  SER  22           HB1      SER  22 -11.847  -0.369  -9.141
  207    HG   SER  22           HG       SER  22 -11.115  -2.312 -11.067
  Start of MODEL    6
    1    H1   LEU   1           HT1      LEU   1  11.615  -7.439   3.681
    2    H2   LEU   1           HT2      LEU   1  12.721  -6.530   4.577
    3    H3   LEU   1           HT3      LEU   1  12.673  -8.210   4.750
    4    HA   LEU   1           HA       LEU   1  14.557  -7.581   3.436
    5    HB2  LEU   1           HB2      LEU   1  12.328  -8.919   1.910
    6    HB3  LEU   1           HB1      LEU   1  13.991  -8.877   1.357
    7    HG   LEU   1           HG       LEU   1  13.069 -10.149   3.938
    8   HD11  LEU   1          HD11      LEU   1  13.875 -11.413   1.323
    9   HD12  LEU   1          HD12      LEU   1  12.242 -11.358   1.984
   10   HD13  LEU   1          HD13      LEU   1  13.500 -12.273   2.817
   11   HD21  LEU   1          HD21      LEU   1  15.742 -10.158   2.539
   12   HD22  LEU   1          HD22      LEU   1  15.333 -11.102   3.971
   13   HD23  LEU   1          HD23      LEU   1  15.359  -9.341   4.055
   14    H    ARG   2           HN       ARG   2  11.534  -6.195   2.306
   15    HA   ARG   2           HA       ARG   2  13.115  -4.406   0.585
   16    HB2  ARG   2           HB2      ARG   2  10.554  -5.790   0.071
   17    HB3  ARG   2           HB1      ARG   2  10.678  -4.133  -0.487
   18    HG2  ARG   2           HG2      ARG   2  11.259  -5.674  -2.259
   19    HG3  ARG   2           HG1      ARG   2  12.663  -4.718  -1.788
   20    HD2  ARG   2           HD2      ARG   2  13.367  -6.641  -0.343
   21    HD3  ARG   2           HD1      ARG   2  12.054  -7.577  -1.051
   22    HE   ARG   2           HE       ARG   2  13.846  -6.411  -2.983
   23   HH11  ARG   2          HH11      ARG   2  13.156  -9.193  -0.969
   24   HH12  ARG   2          HH12      ARG   2  14.183 -10.262  -1.865
   25   HH21  ARG   2          HH21      ARG   2  15.188  -7.827  -4.183
   26   HH22  ARG   2          HH22      ARG   2  15.325  -9.487  -3.705
   27    H    LEU   3           HN       LEU   3  12.970  -2.359   0.962
   28    HA   LEU   3           HA       LEU   3  11.305  -1.422   3.149
   29    HB2  LEU   3           HB2      LEU   3  13.620  -0.786   3.227
   30    HB3  LEU   3           HB1      LEU   3  13.556  -0.185   1.582
   31    HG   LEU   3           HG       LEU   3  12.114   1.660   2.287
   32   HD11  LEU   3          HD11      LEU   3  10.962   0.583   4.124
   33   HD12  LEU   3          HD12      LEU   3  11.726   2.077   4.666
   34   HD13  LEU   3          HD13      LEU   3  12.459   0.521   5.054
   35   HD21  LEU   3          HD21      LEU   3  13.771   2.895   3.593
   36   HD22  LEU   3          HD22      LEU   3  14.529   1.977   2.293
   37   HD23  LEU   3          HD23      LEU   3  14.614   1.388   3.953
   38    H    ILE   4           HN       ILE   4  12.057  -0.493  -0.161
   39    HA   ILE   4           HA       ILE   4  10.195   1.631  -0.242
   40    HB   ILE   4           HB       ILE   4  11.678   0.172  -2.403
   41   HG12  ILE   4          HG12      ILE   4  12.968   1.495  -0.739
   42   HG13  ILE   4          HG11      ILE   4  13.112   2.117  -2.381
   43   HG21  ILE   4          HG21      ILE   4   9.708   1.059  -3.444
   44   HG22  ILE   4          HG22      ILE   4  11.080   2.084  -3.871
   45   HG23  ILE   4          HG23      ILE   4   9.933   2.614  -2.639
   46   HD11  ILE   4          HD11      ILE   4  11.455   3.853  -1.837
   47   HD12  ILE   4          HD12      ILE   4  12.890   3.931  -0.816
   48   HD13  ILE   4          HD13      ILE   4  11.395   3.243  -0.182
   49    H    HIS   5           HN       HIS   5   9.999  -1.754  -1.010
   50    HA   HIS   5           HA       HIS   5   7.499  -1.507  -2.432
   51    HB2  HIS   5           HB2      HIS   5   8.858  -4.001  -1.383
   52    HB3  HIS   5           HB1      HIS   5   7.519  -3.953  -2.525
   53    HD1  HIS   5           HD1      HIS   5   8.186  -4.017  -4.930
   54    HD2  HIS   5           HD2      HIS   5  11.246  -2.659  -2.473
   55    HE1  HIS   5           HE1      HIS   5  10.166  -3.666  -6.440
   56    HE2  HIS   5           HE2      HIS   5  11.967  -2.733  -4.960
   57    H    ALA   6           HN       ALA   6   8.529  -1.760   0.790
   58    HA   ALA   6           HA       ALA   6   5.994  -2.698   1.825
   59    HB1  ALA   6           HB1      ALA   6   8.130  -3.257   2.946
   60    HB2  ALA   6           HB2      ALA   6   7.019  -2.386   4.005
   61    HB3  ALA   6           HB3      ALA   6   8.381  -1.542   3.267
   62    H    VAL   7           HN       VAL   7   7.838   0.210   1.374
   63    HA   VAL   7           HA       VAL   7   6.115   2.024   2.657
   64    HB   VAL   7           HB       VAL   7   8.177   2.339   0.479
   65   HG11  VAL   7          HG11      VAL   7   6.470   4.482   1.739
   66   HG12  VAL   7          HG12      VAL   7   6.643   4.099   0.019
   67   HG13  VAL   7          HG13      VAL   7   7.993   4.810   0.910
   68   HG21  VAL   7          HG21      VAL   7   9.053   1.817   2.647
   69   HG22  VAL   7          HG22      VAL   7   8.094   3.098   3.387
   70   HG23  VAL   7          HG23      VAL   7   9.405   3.505   2.275
   71    H    ARG   8           HN       ARG   8   6.564   1.385  -0.809
   72    HA   ARG   8           HA       ARG   8   4.344   2.948  -1.576
   73    HB2  ARG   8           HB2      ARG   8   5.813   0.770  -3.056
   74    HB3  ARG   8           HB1      ARG   8   4.672   1.891  -3.793
   75    HG2  ARG   8           HG2      ARG   8   6.116   3.763  -3.199
   76    HG3  ARG   8           HG1      ARG   8   7.246   2.655  -2.421
   77    HD2  ARG   8           HD2      ARG   8   8.025   3.249  -4.650
   78    HD3  ARG   8           HD1      ARG   8   7.625   1.536  -4.563
   79    HE   ARG   8           HE       ARG   8   5.645   3.419  -5.627
   80   HH11  ARG   8          HH11      ARG   8   7.843   0.740  -6.135
   81   HH12  ARG   8          HH12      ARG   8   7.210   0.358  -7.703
   82   HH21  ARG   8          HH21      ARG   8   4.804   2.912  -7.673
   83   HH22  ARG   8          HH22      ARG   8   5.470   1.591  -8.578
   84    H    GLY   9           HN       GLY   9   4.755  -0.476  -0.908
   85    HA2  GLY   9           HA2      GLY   9   2.071  -1.176  -1.609
   86    HA3  GLY   9           HA1      GLY   9   3.197  -2.165  -0.687
   87    H    TYR  10           HN       TYR  10   3.257   0.670   0.853
   88    HA   TYR  10           HA       TYR  10   1.272  -0.142   2.806
   89    HB2  TYR  10           HB2      TYR  10   3.113   0.508   4.007
   90    HB3  TYR  10           HB1      TYR  10   3.651   1.623   2.766
   91    HD1  TYR  10           HD1      TYR  10   3.561   3.847   3.171
   92    HD2  TYR  10           HD2      TYR  10   0.919   1.300   5.319
   93    HE1  TYR  10           HE1      TYR  10   2.786   5.767   4.471
   94    HE2  TYR  10           HE2      TYR  10   0.128   3.225   6.631
   95    HH   TYR  10           HH       TYR  10   0.920   5.459   7.294
   96    H    TRP  11           HN       TRP  11   2.089   2.910   1.083
   97    HA   TRP  11           HA       TRP  11  -0.445   3.994   1.905
   98    HB2  TRP  11           HB2      TRP  11   0.200   6.022   0.631
   99    HB3  TRP  11           HB1      TRP  11   1.370   5.541   1.847
  100    HD1  TRP  11           HD1      TRP  11   3.672   4.371   0.864
  101    HE1  TRP  11           HE1      TRP  11   4.940   4.877  -1.315
  102    HE3  TRP  11           HE3      TRP  11  -0.067   6.699  -1.728
  103    HZ2  TRP  11           HZ2      TRP  11   4.428   6.096  -3.796
  104    HZ3  TRP  11           HZ3      TRP  11   0.412   7.510  -3.998
  105    HH2  TRP  11           HH2      TRP  11   2.613   7.217  -5.011
  106    H    LEU  12           HN       LEU  12   0.806   2.656  -1.114
  107    HA   LEU  12           HA       LEU  12  -1.395   3.473  -2.702
  108    HB2  LEU  12           HB2      LEU  12   0.466   1.113  -2.982
  109    HB3  LEU  12           HB1      LEU  12  -0.721   1.570  -4.188
  110    HG   LEU  12           HG       LEU  12   1.570   3.320  -3.284
  111   HD11  LEU  12          HD11      LEU  12   1.237   1.695  -5.807
  112   HD12  LEU  12          HD12      LEU  12   2.358   1.343  -4.491
  113   HD13  LEU  12          HD13      LEU  12   2.561   2.805  -5.455
  114   HD21  LEU  12          HD21      LEU  12  -0.439   3.611  -5.515
  115   HD22  LEU  12          HD22      LEU  12   0.962   4.653  -5.264
  116   HD23  LEU  12          HD23      LEU  12  -0.329   4.605  -4.063
  117    H    THR  13           HN       THR  13  -0.793   0.722  -0.637
  118    HA   THR  13           HA       THR  13  -3.186  -0.664  -1.420
  119    HB   THR  13           HB       THR  13  -0.748  -1.331  -0.149
  120    HG1  THR  13           HG1      THR  13  -2.879  -2.566  -1.366
  121   HG21  THR  13          HG21      THR  13  -1.495  -2.737   1.719
  122   HG22  THR  13          HG22      THR  13  -3.124  -2.083   1.554
  123   HG23  THR  13          HG23      THR  13  -1.794  -1.026   2.024
  124    H    ASN  14           HN       ASN  14  -2.490   1.836   0.771
  125    HA   ASN  14           HA       ASN  14  -4.786   1.149   2.461
  126    HB2  ASN  14           HB2      ASN  14  -2.375   2.796   2.849
  127    HB3  ASN  14           HB1      ASN  14  -3.850   3.364   3.619
  128   HD21  ASN  14          HD21      ASN  14  -1.424   0.900   3.541
  129   HD22  ASN  14          HD22      ASN  14  -1.883   0.108   5.010
  130    H    LYS  15           HN       LYS  15  -3.572   3.783   0.409
  131    HA   LYS  15           HA       LYS  15  -5.618   5.621   0.964
  132    HB2  LYS  15           HB2      LYS  15  -4.927   6.783  -1.039
  133    HB3  LYS  15           HB1      LYS  15  -3.518   6.242  -0.147
  134    HG2  LYS  15           HG2      LYS  15  -2.879   5.697  -2.257
  135    HG3  LYS  15           HG1      LYS  15  -3.695   4.197  -1.808
  136    HD2  LYS  15           HD2      LYS  15  -5.752   5.033  -2.884
  137    HD3  LYS  15           HD1      LYS  15  -4.883   6.487  -3.376
  138    HE2  LYS  15           HE2      LYS  15  -4.856   5.099  -5.263
  139    HE3  LYS  15           HE1      LYS  15  -3.254   4.927  -4.552
  140    HZ1  LYS  15           HZ1      LYS  15  -5.516   3.027  -4.275
  141    HZ2  LYS  15           HZ2      LYS  15  -4.022   2.865  -3.497
  142    HZ3  LYS  15           HZ3      LYS  15  -4.111   2.790  -5.183
  143    H    VAL  16           HN       VAL  16  -5.566   2.832  -0.950
  144    HA   VAL  16           HA       VAL  16  -7.905   3.316  -2.478
  145    HB   VAL  16           HB       VAL  16  -6.377   1.683  -3.308
  146   HG11  VAL  16          HG11      VAL  16  -6.762   0.117  -0.762
  147   HG12  VAL  16          HG12      VAL  16  -5.366   1.140  -1.097
  148   HG13  VAL  16          HG13      VAL  16  -5.686  -0.280  -2.102
  149   HG21  VAL  16          HG21      VAL  16  -8.713   1.164  -3.735
  150   HG22  VAL  16          HG22      VAL  16  -8.819   0.287  -2.208
  151   HG23  VAL  16          HG23      VAL  16  -7.793  -0.324  -3.509
  152    HA   PRO  17           HA       PRO  17 -10.686   2.559   0.971
  153    HB2  PRO  17           HB2      PRO  17 -12.954   2.985  -0.502
  154    HB3  PRO  17           HB1      PRO  17 -12.011   4.280   0.243
  155    HG2  PRO  17           HG2      PRO  17 -12.037   3.338  -2.587
  156    HG3  PRO  17           HG1      PRO  17 -11.904   4.988  -1.953
  157    HD2  PRO  17           HD2      PRO  17  -9.769   3.571  -2.872
  158    HD3  PRO  17           HD1      PRO  17  -9.635   4.799  -1.603
  159    H    ILE  18           HN       ILE  18 -10.985   0.523   1.510
  160    HA   ILE  18           HA       ILE  18 -11.363  -1.532  -0.476
  161    HB   ILE  18           HB       ILE  18 -11.402  -3.089   1.490
  162   HG12  ILE  18          HG12      ILE  18 -10.760  -0.565   3.034
  163   HG13  ILE  18          HG11      ILE  18 -12.262  -1.475   3.155
  164   HG21  ILE  18          HG21      ILE  18  -9.014  -2.832   1.976
  165   HG22  ILE  18          HG22      ILE  18  -9.052  -1.214   1.272
  166   HG23  ILE  18          HG23      ILE  18  -9.359  -2.624   0.259
  167   HD11  ILE  18          HD11      ILE  18 -10.766  -1.939   5.016
  168   HD12  ILE  18          HD12      ILE  18  -9.528  -2.495   3.890
  169   HD13  ILE  18          HD13      ILE  18 -11.044  -3.381   4.042
  170    H    LYS  19           HN       LYS  19 -13.417   0.275  -0.485
  171    HA   LYS  19           HA       LYS  19 -15.701  -1.098   0.736
  172    HB2  LYS  19           HB2      LYS  19 -15.534   1.572  -0.674
  173    HB3  LYS  19           HB1      LYS  19 -16.975   0.908   0.080
  174    HG2  LYS  19           HG2      LYS  19 -15.896   0.992   2.257
  175    HG3  LYS  19           HG1      LYS  19 -14.418   1.598   1.512
  176    HD2  LYS  19           HD2      LYS  19 -15.614   3.448   2.473
  177    HD3  LYS  19           HD1      LYS  19 -15.695   3.576   0.716
  178    HE2  LYS  19           HE2      LYS  19 -17.944   2.607   0.752
  179    HE3  LYS  19           HE1      LYS  19 -17.859   2.475   2.508
  180    HZ1  LYS  19           HZ1      LYS  19 -19.082   4.429   1.887
  181    HZ2  LYS  19           HZ2      LYS  19 -17.810   4.985   0.926
  182    HZ3  LYS  19           HZ3      LYS  19 -17.626   4.904   2.605
  183    H    ARG  20           HN       ARG  20 -13.956  -0.910  -2.084
  184    HA   ARG  20           HA       ARG  20 -16.033  -1.492  -3.960
  185    HB2  ARG  20           HB2      ARG  20 -14.170  -2.111  -5.470
  186    HB3  ARG  20           HB1      ARG  20 -13.937  -0.530  -4.742
  187    HG2  ARG  20           HG2      ARG  20 -12.350  -1.451  -3.164
  188    HG3  ARG  20           HG1      ARG  20 -12.633  -3.074  -3.794
  189    HD2  ARG  20           HD2      ARG  20 -10.569  -2.126  -4.687
  190    HD3  ARG  20           HD1      ARG  20 -11.752  -2.401  -5.963
  191    HE   ARG  20           HE       ARG  20 -12.169   0.188  -5.291
  192   HH11  ARG  20          HH11      ARG  20  -9.302  -1.624  -6.181
  193   HH12  ARG  20          HH12      ARG  20  -8.504  -0.258  -6.886
  194   HH21  ARG  20          HH21      ARG  20 -11.126   1.982  -6.230
  195   HH22  ARG  20          HH22      ARG  20  -9.548   1.798  -6.921
  196    HA   PRO  21           HA       PRO  21 -16.484  -5.794  -2.989
  197    HB2  PRO  21           HB2      PRO  21 -17.572  -6.694  -5.290
  198    HB3  PRO  21           HB1      PRO  21 -18.461  -5.657  -4.168
  199    HG2  PRO  21           HG2      PRO  21 -17.053  -4.933  -6.707
  200    HG3  PRO  21           HG1      PRO  21 -18.625  -4.382  -6.103
  201    HD2  PRO  21           HD2      PRO  21 -16.336  -2.914  -5.896
  202    HD3  PRO  21           HD1      PRO  21 -17.686  -2.788  -4.751
  203    H    SER  22           HN       SER  22 -13.870  -5.221  -3.535
  204    HA   SER  22           HA       SER  22 -12.970  -7.643  -4.821
  205    HB2  SER  22           HB2      SER  22 -13.181  -5.880  -6.648
  206    HB3  SER  22           HB1      SER  22 -11.907  -4.992  -5.818
  207    HG   SER  22           HG       SER  22 -11.760  -7.569  -6.993
  Start of MODEL    7
    1    H1   LEU   1           HT1      LEU   1  11.065  -8.811   0.534
    2    H2   LEU   1           HT2      LEU   1  10.491  -9.796   1.775
    3    H3   LEU   1           HT3      LEU   1  12.145  -9.477   1.652
    4    HA   LEU   1           HA       LEU   1  10.011  -7.531   2.297
    5    HB2  LEU   1           HB2      LEU   1  12.258  -8.719   3.925
    6    HB3  LEU   1           HB1      LEU   1  11.388  -7.284   4.411
    7    HG   LEU   1           HG       LEU   1   9.281  -8.723   4.354
    8   HD11  LEU   1          HD11      LEU   1   9.709 -11.144   4.765
    9   HD12  LEU   1          HD12      LEU   1  11.371 -10.888   4.230
   10   HD13  LEU   1          HD13      LEU   1  10.031 -10.619   3.115
   11   HD21  LEU   1          HD21      LEU   1  10.347  -7.962   6.404
   12   HD22  LEU   1          HD22      LEU   1  11.441  -9.344   6.356
   13   HD23  LEU   1          HD23      LEU   1   9.712  -9.597   6.588
   14    H    ARG   2           HN       ARG   2  10.438  -5.680   1.291
   15    HA   ARG   2           HA       ARG   2  13.240  -4.752   1.216
   16    HB2  ARG   2           HB2      ARG   2  11.912  -5.359  -1.002
   17    HB3  ARG   2           HB1      ARG   2  11.217  -3.766  -0.747
   18    HG2  ARG   2           HG2      ARG   2  13.010  -3.466  -2.232
   19    HG3  ARG   2           HG1      ARG   2  13.574  -2.880  -0.670
   20    HD2  ARG   2           HD2      ARG   2  14.132  -5.647  -1.706
   21    HD3  ARG   2           HD1      ARG   2  15.212  -4.283  -1.965
   22    HE   ARG   2           HE       ARG   2  15.031  -4.223   0.664
   23   HH11  ARG   2          HH11      ARG   2  15.347  -7.005  -1.437
   24   HH12  ARG   2          HH12      ARG   2  16.254  -7.932  -0.287
   25   HH21  ARG   2          HH21      ARG   2  16.222  -5.431   2.181
   26   HH22  ARG   2          HH22      ARG   2  16.758  -7.031   1.774
   27    H    LEU   3           HN       LEU   3  13.176  -2.184   0.886
   28    HA   LEU   3           HA       LEU   3  11.525  -1.174   3.029
   29    HB2  LEU   3           HB2      LEU   3  13.799  -0.412   2.960
   30    HB3  LEU   3           HB1      LEU   3  13.615   0.137   1.307
   31    HG   LEU   3           HG       LEU   3  12.086   1.896   2.028
   32   HD11  LEU   3          HD11      LEU   3  11.068   0.756   3.922
   33   HD12  LEU   3          HD12      LEU   3  11.703   2.334   4.393
   34   HD13  LEU   3          HD13      LEU   3  12.586   0.867   4.814
   35   HD21  LEU   3          HD21      LEU   3  14.642   1.832   3.625
   36   HD22  LEU   3          HD22      LEU   3  13.685   3.268   3.263
   37   HD23  LEU   3          HD23      LEU   3  14.469   2.379   1.958
   38    H    ILE   4           HN       ILE   4  12.150   0.032  -0.239
   39    HA   ILE   4           HA       ILE   4  10.013   1.835  -0.232
   40    HB   ILE   4           HB       ILE   4  11.592   0.645  -2.486
   41   HG12  ILE   4          HG12      ILE   4  12.825   2.055  -0.899
   42   HG13  ILE   4          HG11      ILE   4  12.702   2.828  -2.474
   43   HG21  ILE   4          HG21      ILE   4  10.709   2.456  -3.900
   44   HG22  ILE   4          HG22      ILE   4   9.586   2.888  -2.610
   45   HG23  ILE   4          HG23      ILE   4   9.461   1.316  -3.401
   46   HD11  ILE   4          HD11      ILE   4  12.361   4.462  -0.758
   47   HD12  ILE   4          HD12      ILE   4  11.101   3.479  -0.015
   48   HD13  ILE   4          HD13      ILE   4  10.834   4.198  -1.603
   49    H    HIS   5           HN       HIS   5  10.139  -1.535  -1.108
   50    HA   HIS   5           HA       HIS   5   7.624  -1.488  -2.513
   51    HB2  HIS   5           HB2      HIS   5   9.227  -3.860  -1.531
   52    HB3  HIS   5           HB1      HIS   5   7.870  -3.926  -2.653
   53    HD1  HIS   5           HD1      HIS   5   8.499  -3.859  -5.072
   54    HD2  HIS   5           HD2      HIS   5  11.426  -2.222  -2.622
   55    HE1  HIS   5           HE1      HIS   5  10.389  -3.229  -6.605
   56    HE2  HIS   5           HE2      HIS   5  12.058  -2.064  -5.128
   57    H    ALA   6           HN       ALA   6   8.658  -1.723   0.699
   58    HA   ALA   6           HA       ALA   6   6.211  -2.888   1.715
   59    HB1  ALA   6           HB1      ALA   6   8.396  -3.273   2.824
   60    HB2  ALA   6           HB2      ALA   6   7.216  -2.521   3.898
   61    HB3  ALA   6           HB3      ALA   6   8.496  -1.546   3.170
   62    H    VAL   7           HN       VAL   7   7.888   0.162   1.488
   63    HA   VAL   7           HA       VAL   7   6.071   1.844   2.730
   64    HB   VAL   7           HB       VAL   7   8.056   2.285   0.516
   65   HG11  VAL   7          HG11      VAL   7   7.725   4.735   0.905
   66   HG12  VAL   7          HG12      VAL   7   6.249   4.336   1.784
   67   HG13  VAL   7          HG13      VAL   7   6.392   3.933   0.068
   68   HG21  VAL   7          HG21      VAL   7   9.235   3.525   2.287
   69   HG22  VAL   7          HG22      VAL   7   8.966   1.830   2.694
   70   HG23  VAL   7          HG23      VAL   7   7.952   3.079   3.414
   71    H    ARG   8           HN       ARG   8   6.403   1.139  -0.740
   72    HA   ARG   8           HA       ARG   8   4.098   2.636  -1.429
   73    HB2  ARG   8           HB2      ARG   8   5.688   0.590  -2.963
   74    HB3  ARG   8           HB1      ARG   8   4.387   1.548  -3.663
   75    HG2  ARG   8           HG2      ARG   8   5.625   3.597  -3.078
   76    HG3  ARG   8           HG1      ARG   8   6.946   2.597  -2.468
   77    HD2  ARG   8           HD2      ARG   8   7.184   1.594  -4.705
   78    HD3  ARG   8           HD1      ARG   8   5.897   2.643  -5.301
   79    HE   ARG   8           HE       ARG   8   7.841   4.261  -4.129
   80   HH11  ARG   8          HH11      ARG   8   7.484   2.150  -6.896
   81   HH12  ARG   8          HH12      ARG   8   8.695   2.963  -7.833
   82   HH21  ARG   8          HH21      ARG   8   9.439   5.334  -5.353
   83   HH22  ARG   8          HH22      ARG   8   9.805   4.779  -6.956
   84    H    GLY   9           HN       GLY   9   4.620  -0.710  -0.576
   85    HA2  GLY   9           HA2      GLY   9   1.947  -1.507  -1.297
   86    HA3  GLY   9           HA1      GLY   9   3.083  -2.439  -0.321
   87    H    TYR  10           HN       TYR  10   3.282   0.306   1.178
   88    HA   TYR  10           HA       TYR  10   1.211  -0.248   3.103
   89    HB2  TYR  10           HB2      TYR  10   3.064   0.402   4.290
   90    HB3  TYR  10           HB1      TYR  10   3.666   1.409   2.986
   91    HD1  TYR  10           HD1      TYR  10   0.912   1.366   5.533
   92    HD2  TYR  10           HD2      TYR  10   3.634   3.672   3.223
   93    HE1  TYR  10           HE1      TYR  10   0.176   3.402   6.706
   94    HE2  TYR  10           HE2      TYR  10   2.911   5.705   4.380
   95    HH   TYR  10           HH       TYR  10   1.006   6.541   5.613
   96    H    TRP  11           HN       TRP  11   2.167   2.662   1.196
   97    HA   TRP  11           HA       TRP  11  -0.318   3.862   1.992
   98    HB2  TRP  11           HB2      TRP  11   0.418   5.883   0.835
   99    HB3  TRP  11           HB1      TRP  11   1.615   5.290   1.971
  100    HD1  TRP  11           HD1      TRP  11   3.828   4.080   0.820
  101    HE1  TRP  11           HE1      TRP  11   5.019   4.669  -1.385
  102    HE3  TRP  11           HE3      TRP  11   0.080   6.693  -1.448
  103    HZ2  TRP  11           HZ2      TRP  11   4.444   6.062  -3.768
  104    HZ3  TRP  11           HZ3      TRP  11   0.481   7.635  -3.687
  105    HH2  TRP  11           HH2      TRP  11   2.620   7.324  -4.823
  106    H    LEU  12           HN       LEU  12   0.907   2.493  -1.054
  107    HA   LEU  12           HA       LEU  12  -1.149   3.627  -2.664
  108    HB2  LEU  12           HB2      LEU  12   0.607   1.210  -3.062
  109    HB3  LEU  12           HB1      LEU  12  -0.547   1.760  -4.263
  110    HG   LEU  12           HG       LEU  12   1.757   3.402  -3.219
  111   HD11  LEU  12          HD11      LEU  12   2.746   3.018  -5.436
  112   HD12  LEU  12          HD12      LEU  12   1.434   1.904  -5.815
  113   HD13  LEU  12          HD13      LEU  12   2.567   1.522  -4.523
  114   HD21  LEU  12          HD21      LEU  12  -0.101   4.760  -3.932
  115   HD22  LEU  12          HD22      LEU  12  -0.218   3.861  -5.446
  116   HD23  LEU  12          HD23      LEU  12   1.198   4.861  -5.120
  117    H    THR  13           HN       THR  13  -0.898   0.878  -0.653
  118    HA   THR  13           HA       THR  13  -3.278  -0.392  -1.649
  119    HB   THR  13           HB       THR  13  -1.001  -1.088  -0.007
  120    HG1  THR  13           HG1      THR  13  -2.730  -2.221  -1.832
  121   HG21  THR  13          HG21      THR  13  -2.528  -1.081   1.859
  122   HG22  THR  13          HG22      THR  13  -2.110  -2.741   1.429
  123   HG23  THR  13          HG23      THR  13  -3.677  -2.078   0.964
  124    H    ASN  14           HN       ASN  14  -2.532   1.999   0.685
  125    HA   ASN  14           HA       ASN  14  -5.067   1.526   2.079
  126    HB2  ASN  14           HB2      ASN  14  -2.557   2.902   2.858
  127    HB3  ASN  14           HB1      ASN  14  -4.071   3.429   3.580
  128   HD21  ASN  14          HD21      ASN  14  -1.716   0.899   3.391
  129   HD22  ASN  14          HD22      ASN  14  -2.357  -0.076   4.675
  130    H    LYS  15           HN       LYS  15  -3.329   4.060   0.294
  131    HA   LYS  15           HA       LYS  15  -5.231   6.100   0.779
  132    HB2  LYS  15           HB2      LYS  15  -4.142   7.325  -1.046
  133    HB3  LYS  15           HB1      LYS  15  -2.982   6.663   0.090
  134    HG2  LYS  15           HG2      LYS  15  -1.986   6.237  -1.938
  135    HG3  LYS  15           HG1      LYS  15  -2.801   4.713  -1.598
  136    HD2  LYS  15           HD2      LYS  15  -3.261   5.183  -3.858
  137    HD3  LYS  15           HD1      LYS  15  -4.730   5.605  -2.971
  138    HE2  LYS  15           HE2      LYS  15  -4.145   7.945  -3.037
  139    HE3  LYS  15           HE1      LYS  15  -2.598   7.571  -3.794
  140    HZ1  LYS  15           HZ1      LYS  15  -5.271   7.084  -4.991
  141    HZ2  LYS  15           HZ2      LYS  15  -3.791   6.726  -5.719
  142    HZ3  LYS  15           HZ3      LYS  15  -4.214   8.334  -5.414
  143    H    VAL  16           HN       VAL  16  -5.115   3.517  -1.424
  144    HA   VAL  16           HA       VAL  16  -6.963   4.300  -3.338
  145    HB   VAL  16           HB       VAL  16  -5.702   2.294  -3.669
  146   HG11  VAL  16          HG11      VAL  16  -7.110   1.116  -1.278
  147   HG12  VAL  16          HG12      VAL  16  -5.446   1.704  -1.281
  148   HG13  VAL  16          HG13      VAL  16  -5.901   0.323  -2.287
  149   HG21  VAL  16          HG21      VAL  16  -7.496   0.643  -4.157
  150   HG22  VAL  16          HG22      VAL  16  -7.843   2.266  -4.752
  151   HG23  VAL  16          HG23      VAL  16  -8.626   1.680  -3.284
  152    HA   PRO  17           HA       PRO  17 -10.580   4.518  -0.658
  153    HB2  PRO  17           HB2      PRO  17 -12.249   5.390  -2.638
  154    HB3  PRO  17           HB1      PRO  17 -11.191   6.459  -1.713
  155    HG2  PRO  17           HG2      PRO  17 -10.811   5.317  -4.443
  156    HG3  PRO  17           HG1      PRO  17 -10.421   6.936  -3.840
  157    HD2  PRO  17           HD2      PRO  17  -8.552   4.997  -4.171
  158    HD3  PRO  17           HD1      PRO  17  -8.426   6.246  -2.923
  159    H    ILE  18           HN       ILE  18 -11.445   2.647  -0.187
  160    HA   ILE  18           HA       ILE  18 -12.806   1.083  -2.249
  161    HB   ILE  18           HB       ILE  18 -11.840  -1.005  -1.033
  162   HG12  ILE  18          HG12      ILE  18  -9.716   1.063  -0.427
  163   HG13  ILE  18          HG11      ILE  18 -10.713   0.231   0.760
  164   HG21  ILE  18          HG21      ILE  18  -9.899  -1.032  -2.592
  165   HG22  ILE  18          HG22      ILE  18 -10.251   0.652  -2.976
  166   HG23  ILE  18          HG23      ILE  18 -11.432  -0.599  -3.349
  167   HD11  ILE  18          HD11      ILE  18  -8.476  -0.702   0.648
  168   HD12  ILE  18          HD12      ILE  18  -8.699  -1.056  -1.064
  169   HD13  ILE  18          HD13      ILE  18  -9.683  -1.884   0.143
  170    H    LYS  19           HN       LYS  19 -13.939   2.732  -0.384
  171    HA   LYS  19           HA       LYS  19 -14.897   0.996   1.772
  172    HB2  LYS  19           HB2      LYS  19 -15.367   3.950   1.326
  173    HB3  LYS  19           HB1      LYS  19 -15.825   3.030   2.751
  174    HG2  LYS  19           HG2      LYS  19 -13.431   2.552   3.158
  175    HG3  LYS  19           HG1      LYS  19 -13.027   3.593   1.795
  176    HD2  LYS  19           HD2      LYS  19 -12.780   4.856   3.819
  177    HD3  LYS  19           HD1      LYS  19 -14.192   5.462   2.952
  178    HE2  LYS  19           HE2      LYS  19 -14.653   5.266   5.335
  179    HE3  LYS  19           HE1      LYS  19 -15.652   4.151   4.409
  180    HZ1  LYS  19           HZ1      LYS  19 -14.727   3.119   6.396
  181    HZ2  LYS  19           HZ2      LYS  19 -13.159   3.418   5.847
  182    HZ3  LYS  19           HZ3      LYS  19 -14.161   2.356   4.999
  183    H    ARG  20           HN       ARG  20 -15.735   2.192  -1.269
  184    HA   ARG  20           HA       ARG  20 -18.498   2.329  -1.189
  185    HB2  ARG  20           HB2      ARG  20 -18.330   1.653  -3.654
  186    HB3  ARG  20           HB1      ARG  20 -17.507   3.115  -3.153
  187    HG2  ARG  20           HG2      ARG  20 -16.055   1.990  -4.633
  188    HG3  ARG  20           HG1      ARG  20 -15.392   1.744  -3.021
  189    HD2  ARG  20           HD2      ARG  20 -16.558  -0.464  -2.973
  190    HD3  ARG  20           HD1      ARG  20 -16.988  -0.208  -4.661
  191    HE   ARG  20           HE       ARG  20 -14.535  -0.134  -5.092
  192   HH11  ARG  20          HH11      ARG  20 -15.763  -1.755  -2.230
  193   HH12  ARG  20          HH12      ARG  20 -14.452  -2.887  -2.154
  194   HH21  ARG  20          HH21      ARG  20 -12.810  -1.630  -4.994
  195   HH22  ARG  20          HH22      ARG  20 -12.775  -2.823  -3.737
  196    HA   PRO  21           HA       PRO  21 -19.643  -1.888  -0.583
  197    HB2  PRO  21           HB2      PRO  21 -22.283  -1.653  -0.827
  198    HB3  PRO  21           HB1      PRO  21 -21.419  -0.828   0.475
  199    HG2  PRO  21           HG2      PRO  21 -22.500   0.276  -2.077
  200    HG3  PRO  21           HG1      PRO  21 -22.459   1.012  -0.466
  201    HD2  PRO  21           HD2      PRO  21 -20.649   1.501  -2.546
  202    HD3  PRO  21           HD1      PRO  21 -20.409   1.913  -0.839
  203    H    SER  22           HN       SER  22 -18.722  -1.306  -3.281
  204    HA   SER  22           HA       SER  22 -20.623  -2.309  -5.158
  205    HB2  SER  22           HB2      SER  22 -17.623  -2.065  -5.470
  206    HB3  SER  22           HB1      SER  22 -18.818  -2.181  -6.763
  207    HG   SER  22           HG       SER  22 -18.774  -0.081  -6.666
  Start of MODEL    8
    1    H1   LEU   1           HT1      LEU   1  10.331  -8.121   0.111
    2    H2   LEU   1           HT2      LEU   1   9.528  -7.160   1.244
    3    H3   LEU   1           HT3      LEU   1   9.506  -8.842   1.396
    4    HA   LEU   1           HA       LEU   1  11.012  -7.777   2.956
    5    HB2  LEU   1           HB2      LEU   1  12.957  -9.209   2.517
    6    HB3  LEU   1           HB1      LEU   1  11.447 -10.069   2.327
    7    HG   LEU   1           HG       LEU   1  12.864  -8.959  -0.077
    8   HD11  LEU   1          HD11      LEU   1  14.018 -11.094  -0.326
    9   HD12  LEU   1          HD12      LEU   1  13.396 -11.619   1.238
   10   HD13  LEU   1          HD13      LEU   1  14.523 -10.266   1.147
   11   HD21  LEU   1          HD21      LEU   1  11.066 -11.348   0.333
   12   HD22  LEU   1          HD22      LEU   1  11.735 -10.801  -1.204
   13   HD23  LEU   1          HD23      LEU   1  10.572  -9.796  -0.342
   14    H    ARG   2           HN       ARG   2  10.842  -5.482   2.072
   15    HA   ARG   2           HA       ARG   2  13.489  -4.503   1.735
   16    HB2  ARG   2           HB2      ARG   2  12.605  -5.207  -0.653
   17    HB3  ARG   2           HB1      ARG   2  11.693  -3.708  -0.527
   18    HG2  ARG   2           HG2      ARG   2  13.727  -3.304  -1.731
   19    HG3  ARG   2           HG1      ARG   2  13.804  -2.489  -0.172
   20    HD2  ARG   2           HD2      ARG   2  15.134  -4.372   0.711
   21    HD3  ARG   2           HD1      ARG   2  15.104  -5.111  -0.889
   22    HE   ARG   2           HE       ARG   2  16.097  -2.554  -1.225
   23   HH11  ARG   2          HH11      ARG   2  17.018  -5.464   0.480
   24   HH12  ARG   2          HH12      ARG   2  18.714  -5.115   0.415
   25   HH21  ARG   2          HH21      ARG   2  18.325  -2.090  -1.310
   26   HH22  ARG   2          HH22      ARG   2  19.461  -3.196  -0.606
   27    H    LEU   3           HN       LEU   3  13.273  -1.949   1.336
   28    HA   LEU   3           HA       LEU   3  11.347  -1.090   3.292
   29    HB2  LEU   3           HB2      LEU   3  13.566  -0.181   3.446
   30    HB3  LEU   3           HB1      LEU   3  13.485   0.407   1.797
   31    HG   LEU   3           HG       LEU   3  11.803   2.045   2.414
   32   HD11  LEU   3          HD11      LEU   3  11.122   2.351   4.735
   33   HD12  LEU   3          HD12      LEU   3  12.043   0.920   5.201
   34   HD13  LEU   3          HD13      LEU   3  10.648   0.761   4.130
   35   HD21  LEU   3          HD21      LEU   3  14.147   2.667   2.651
   36   HD22  LEU   3          HD22      LEU   3  14.152   2.058   4.305
   37   HD23  LEU   3          HD23      LEU   3  13.160   3.452   3.883
   38    H    ILE   4           HN       ILE   4  12.175   0.234   0.112
   39    HA   ILE   4           HA       ILE   4   9.922   1.870  -0.065
   40    HB   ILE   4           HB       ILE   4  11.788   0.821  -2.157
   41   HG12  ILE   4          HG12      ILE   4  12.716   2.351  -0.483
   42   HG13  ILE   4          HG11      ILE   4  12.680   3.101  -2.074
   43   HG21  ILE   4          HG21      ILE   4   9.587   2.843  -2.524
   44   HG22  ILE   4          HG22      ILE   4   9.710   1.258  -3.295
   45   HG23  ILE   4          HG23      ILE   4  10.875   2.522  -3.685
   46   HD11  ILE   4          HD11      ILE   4  10.788   3.608   0.205
   47   HD12  ILE   4          HD12      ILE   4  10.619   4.294  -1.409
   48   HD13  ILE   4          HD13      ILE   4  12.022   4.701  -0.421
   49    H    HIS   5           HN       HIS   5  10.385  -1.451  -1.031
   50    HA   HIS   5           HA       HIS   5   8.020  -1.586  -2.643
   51    HB2  HIS   5           HB2      HIS   5   9.654  -3.837  -1.445
   52    HB3  HIS   5           HB1      HIS   5   8.441  -4.003  -2.711
   53    HD1  HIS   5           HD1      HIS   5   9.308  -3.873  -5.053
   54    HD2  HIS   5           HD2      HIS   5  11.895  -2.139  -2.302
   55    HE1  HIS   5           HE1      HIS   5  11.324  -3.162  -6.376
   56    HE2  HIS   5           HE2      HIS   5  12.946  -2.269  -4.667
   57    H    ALA   6           HN       ALA   6   8.719  -1.732   0.669
   58    HA   ALA   6           HA       ALA   6   6.197  -2.982   1.401
   59    HB1  ALA   6           HB1      ALA   6   8.362  -1.741   3.105
   60    HB2  ALA   6           HB2      ALA   6   8.226  -3.457   2.712
   61    HB3  ALA   6           HB3      ALA   6   6.983  -2.676   3.694
   62    H    VAL   7           HN       VAL   7   7.848   0.087   1.362
   63    HA   VAL   7           HA       VAL   7   5.984   1.727   2.604
   64    HB   VAL   7           HB       VAL   7   8.023   2.227   0.451
   65   HG11  VAL   7          HG11      VAL   7   7.661   4.670   0.852
   66   HG12  VAL   7          HG12      VAL   7   6.161   4.252   1.681
   67   HG13  VAL   7          HG13      VAL   7   6.363   3.864  -0.033
   68   HG21  VAL   7          HG21      VAL   7   9.146   3.456   2.265
   69   HG22  VAL   7          HG22      VAL   7   8.878   1.756   2.650
   70   HG23  VAL   7          HG23      VAL   7   7.838   2.993   3.357
   71    H    ARG   8           HN       ARG   8   6.404   1.116  -0.875
   72    HA   ARG   8           HA       ARG   8   4.126   2.619  -1.608
   73    HB2  ARG   8           HB2      ARG   8   5.695   0.519  -3.099
   74    HB3  ARG   8           HB1      ARG   8   4.455   1.533  -3.833
   75    HG2  ARG   8           HG2      ARG   8   5.747   3.529  -3.251
   76    HG3  ARG   8           HG1      ARG   8   6.986   2.509  -2.523
   77    HD2  ARG   8           HD2      ARG   8   7.600   3.236  -4.786
   78    HD3  ARG   8           HD1      ARG   8   7.452   1.485  -4.671
   79    HE   ARG   8           HE       ARG   8   5.124   1.902  -5.646
   80   HH11  ARG   8          HH11      ARG   8   7.935   3.867  -6.386
   81   HH12  ARG   8          HH12      ARG   8   7.363   4.304  -7.963
   82   HH21  ARG   8          HH21      ARG   8   4.383   2.463  -7.724
   83   HH22  ARG   8          HH22      ARG   8   5.345   3.506  -8.728
   84    H    GLY   9           HN       GLY   9   4.634  -0.767  -0.861
   85    HA2  GLY   9           HA2      GLY   9   1.945  -1.541  -1.513
   86    HA3  GLY   9           HA1      GLY   9   3.112  -2.491  -0.596
   87    H    TYR  10           HN       TYR  10   3.189   0.359   0.897
   88    HA   TYR  10           HA       TYR  10   1.145  -0.350   2.828
   89    HB2  TYR  10           HB2      TYR  10   3.045   0.191   4.007
   90    HB3  TYR  10           HB1      TYR  10   3.581   1.357   2.811
   91    HD1  TYR  10           HD1      TYR  10   0.711   0.980   5.205
   92    HD2  TYR  10           HD2      TYR  10   3.654   3.504   3.468
   93    HE1  TYR  10           HE1      TYR  10  -0.044   2.835   6.639
   94    HE2  TYR  10           HE2      TYR  10   2.912   5.368   4.887
   95    HH   TYR  10           HH       TYR  10   0.919   6.066   6.123
   96    H    TRP  11           HN       TRP  11   2.129   2.646   1.072
   97    HA   TRP  11           HA       TRP  11  -0.306   3.863   1.986
   98    HB2  TRP  11           HB2      TRP  11   0.482   5.918   0.930
   99    HB3  TRP  11           HB1      TRP  11   1.684   5.220   2.000
  100    HD1  TRP  11           HD1      TRP  11   3.898   4.185   0.804
  101    HE1  TRP  11           HE1      TRP  11   5.012   4.779  -1.444
  102    HE3  TRP  11           HE3      TRP  11  -0.011   6.595  -1.404
  103    HZ2  TRP  11           HZ2      TRP  11   4.311   6.105  -3.835
  104    HZ3  TRP  11           HZ3      TRP  11   0.285   7.511  -3.669
  105    HH2  TRP  11           HH2      TRP  11   2.404   7.270  -4.862
  106    H    LEU  12           HN       LEU  12   0.625   2.282  -0.954
  107    HA   LEU  12           HA       LEU  12  -1.408   3.563  -2.552
  108    HB2  LEU  12           HB2      LEU  12   0.183   1.030  -2.997
  109    HB3  LEU  12           HB1      LEU  12  -0.909   1.738  -4.174
  110    HG   LEU  12           HG       LEU  12   1.541   3.127  -3.089
  111   HD11  LEU  12          HD11      LEU  12   1.134   1.694  -5.715
  112   HD12  LEU  12          HD12      LEU  12   2.168   1.157  -4.390
  113   HD13  LEU  12          HD13      LEU  12   2.551   2.641  -5.263
  114   HD21  LEU  12          HD21      LEU  12  -0.327   3.767  -5.362
  115   HD22  LEU  12          HD22      LEU  12   1.162   4.635  -4.986
  116   HD23  LEU  12          HD23      LEU  12  -0.177   4.643  -3.839
  117    H    THR  13           HN       THR  13  -0.913   0.703  -0.714
  118    HA   THR  13           HA       THR  13  -3.353  -0.596  -1.188
  119    HB   THR  13           HB       THR  13  -1.433  -0.806   1.130
  120    HG1  THR  13           HG1      THR  13  -0.183  -2.059  -0.174
  121   HG21  THR  13          HG21      THR  13  -3.266  -2.792  -0.157
  122   HG22  THR  13          HG22      THR  13  -3.463  -2.059   1.435
  123   HG23  THR  13          HG23      THR  13  -2.107  -3.142   1.120
  124    H    ASN  14           HN       ASN  14  -2.522   2.152   0.623
  125    HA   ASN  14           HA       ASN  14  -4.812   1.844   2.418
  126    HB2  ASN  14           HB2      ASN  14  -2.298   3.373   2.530
  127    HB3  ASN  14           HB1      ASN  14  -3.716   4.172   3.194
  128   HD21  ASN  14          HD21      ASN  14  -1.548   1.468   3.493
  129   HD22  ASN  14          HD22      ASN  14  -2.028   1.009   5.095
  130    H    LYS  15           HN       LYS  15  -3.435   4.211   0.119
  131    HA   LYS  15           HA       LYS  15  -5.555   6.055   0.352
  132    HB2  LYS  15           HB2      LYS  15  -4.689   7.083  -1.694
  133    HB3  LYS  15           HB1      LYS  15  -3.418   6.746  -0.540
  134    HG2  LYS  15           HG2      LYS  15  -2.517   6.198  -2.625
  135    HG3  LYS  15           HG1      LYS  15  -2.946   4.654  -1.893
  136    HD2  LYS  15           HD2      LYS  15  -4.897   4.465  -3.244
  137    HD3  LYS  15           HD1      LYS  15  -4.733   6.123  -3.817
  138    HE2  LYS  15           HE2      LYS  15  -2.624   4.048  -4.325
  139    HE3  LYS  15           HE1      LYS  15  -4.011   4.248  -5.395
  140    HZ1  LYS  15           HZ1      LYS  15  -3.365   6.495  -5.825
  141    HZ2  LYS  15           HZ2      LYS  15  -2.034   5.496  -6.117
  142    HZ3  LYS  15           HZ3      LYS  15  -2.105   6.419  -4.702
  143    H    VAL  16           HN       VAL  16  -5.266   3.153  -1.360
  144    HA   VAL  16           HA       VAL  16  -7.150   3.450  -3.372
  145    HB   VAL  16           HB       VAL  16  -5.753   1.504  -3.349
  146   HG11  VAL  16          HG11      VAL  16  -5.885  -0.228  -1.662
  147   HG12  VAL  16          HG12      VAL  16  -7.145   0.663  -0.808
  148   HG13  VAL  16          HG13      VAL  16  -5.508   1.322  -0.896
  149   HG21  VAL  16          HG21      VAL  16  -7.941   1.233  -4.392
  150   HG22  VAL  16          HG22      VAL  16  -8.622   0.705  -2.852
  151   HG23  VAL  16          HG23      VAL  16  -7.402  -0.280  -3.664
  152    HA   PRO  17           HA       PRO  17 -10.819   3.876  -0.812
  153    HB2  PRO  17           HB2      PRO  17 -12.491   4.281  -2.936
  154    HB3  PRO  17           HB1      PRO  17 -11.533   5.566  -2.194
  155    HG2  PRO  17           HG2      PRO  17 -11.008   4.003  -4.684
  156    HG3  PRO  17           HG1      PRO  17 -10.739   5.725  -4.363
  157    HD2  PRO  17           HD2      PRO  17  -8.741   3.888  -4.327
  158    HD3  PRO  17           HD1      PRO  17  -8.728   5.339  -3.314
  159    H    ILE  18           HN       ILE  18 -11.627   2.042  -0.056
  160    HA   ILE  18           HA       ILE  18 -12.081  -0.220  -1.823
  161    HB   ILE  18           HB       ILE  18 -12.724  -1.447   0.239
  162   HG12  ILE  18          HG12      ILE  18 -11.934   1.112   1.653
  163   HG13  ILE  18          HG11      ILE  18 -13.577   0.496   1.519
  164   HG21  ILE  18          HG21      ILE  18 -10.070  -0.016   0.354
  165   HG22  ILE  18          HG22      ILE  18 -10.427  -1.482  -0.559
  166   HG23  ILE  18          HG23      ILE  18 -10.468  -1.510   1.204
  167   HD11  ILE  18          HD11      ILE  18 -12.941  -1.475   2.805
  168   HD12  ILE  18          HD12      ILE  18 -12.614   0.011   3.697
  169   HD13  ILE  18          HD13      ILE  18 -11.292  -0.865   2.926
  170    H    LYS  19           HN       LYS  19 -13.614   1.949  -2.434
  171    HA   LYS  19           HA       LYS  19 -16.270   1.549  -1.295
  172    HB2  LYS  19           HB2      LYS  19 -15.236   3.585  -3.280
  173    HB3  LYS  19           HB1      LYS  19 -16.856   3.564  -2.602
  174    HG2  LYS  19           HG2      LYS  19 -16.030   4.034  -0.414
  175    HG3  LYS  19           HG1      LYS  19 -14.360   3.821  -0.944
  176    HD2  LYS  19           HD2      LYS  19 -14.930   6.189  -0.730
  177    HD3  LYS  19           HD1      LYS  19 -14.564   5.767  -2.401
  178    HE2  LYS  19           HE2      LYS  19 -16.978   5.604  -2.860
  179    HE3  LYS  19           HE1      LYS  19 -17.312   6.095  -1.203
  180    HZ1  LYS  19           HZ1      LYS  19 -15.923   7.710  -3.268
  181    HZ2  LYS  19           HZ2      LYS  19 -16.154   8.187  -1.663
  182    HZ3  LYS  19           HZ3      LYS  19 -17.487   7.965  -2.678
  183    H    ARG  20           HN       ARG  20 -14.420   0.942  -4.143
  184    HA   ARG  20           HA       ARG  20 -16.482   0.436  -5.978
  185    HB2  ARG  20           HB2      ARG  20 -14.762  -0.868  -7.201
  186    HB3  ARG  20           HB1      ARG  20 -14.197   0.719  -6.722
  187    HG2  ARG  20           HG2      ARG  20 -13.041  -0.315  -4.822
  188    HG3  ARG  20           HG1      ARG  20 -13.551  -1.899  -5.394
  189    HD2  ARG  20           HD2      ARG  20 -11.845   0.060  -6.922
  190    HD3  ARG  20           HD1      ARG  20 -11.251  -1.362  -6.072
  191    HE   ARG  20           HE       ARG  20 -12.570  -2.714  -7.660
  192   HH11  ARG  20          HH11      ARG  20 -11.856   0.616  -8.521
  193   HH12  ARG  20          HH12      ARG  20 -11.891   0.313 -10.227
  194   HH21  ARG  20          HH21      ARG  20 -12.625  -3.103  -9.910
  195   HH22  ARG  20          HH22      ARG  20 -12.322  -1.799 -11.017
  196    HA   PRO  21           HA       PRO  21 -17.939  -3.409  -4.298
  197    HB2  PRO  21           HB2      PRO  21 -19.843  -3.927  -6.099
  198    HB3  PRO  21           HB1      PRO  21 -19.994  -2.571  -4.976
  199    HG2  PRO  21           HG2      PRO  21 -19.176  -2.566  -7.854
  200    HG3  PRO  21           HG1      PRO  21 -20.227  -1.432  -6.987
  201    HD2  PRO  21           HD2      PRO  21 -17.557  -0.991  -7.547
  202    HD3  PRO  21           HD1      PRO  21 -18.460  -0.191  -6.248
  203    H    SER  22           HN       SER  22 -15.612  -3.338  -6.169
  204    HA   SER  22           HA       SER  22 -15.640  -6.129  -6.877
  205    HB2  SER  22           HB2      SER  22 -15.237  -4.031  -9.029
  206    HB3  SER  22           HB1      SER  22 -15.028  -5.769  -9.238
  207    HG   SER  22           HG       SER  22 -17.439  -5.293  -8.165
  Start of MODEL    9
    1    H1   LEU   1           HT1      LEU   1  11.957  -8.097   3.793
    2    H2   LEU   1           HT2      LEU   1  10.456  -8.733   3.340
    3    H3   LEU   1           HT3      LEU   1  10.654  -7.063   3.498
    4    HA   LEU   1           HA       LEU   1  12.035  -8.764   1.524
    5    HB2  LEU   1           HB2      LEU   1   9.615  -8.546   1.091
    6    HB3  LEU   1           HB1      LEU   1   9.774  -6.801   1.138
    7    HG   LEU   1           HG       LEU   1  11.278  -6.915  -0.832
    8   HD11  LEU   1          HD11      LEU   1  12.143  -9.148  -0.576
    9   HD12  LEU   1          HD12      LEU   1  11.325  -9.013  -2.130
   10   HD13  LEU   1          HD13      LEU   1  10.534  -9.834  -0.787
   11   HD21  LEU   1          HD21      LEU   1   8.566  -8.180  -1.195
   12   HD22  LEU   1          HD22      LEU   1   9.523  -7.412  -2.461
   13   HD23  LEU   1          HD23      LEU   1   8.909  -6.452  -1.117
   14    H    ARG   2           HN       ARG   2  10.969  -5.378   1.909
   15    HA   ARG   2           HA       ARG   2  13.616  -4.324   2.007
   16    HB2  ARG   2           HB2      ARG   2  13.127  -5.053  -0.489
   17    HB3  ARG   2           HB1      ARG   2  12.177  -3.573  -0.505
   18    HG2  ARG   2           HG2      ARG   2  14.273  -2.998  -1.387
   19    HG3  ARG   2           HG1      ARG   2  14.260  -2.371   0.260
   20    HD2  ARG   2           HD2      ARG   2  15.497  -5.002  -0.535
   21    HD3  ARG   2           HD1      ARG   2  16.393  -3.491  -0.422
   22    HE   ARG   2           HE       ARG   2  15.425  -3.583   2.016
   23   HH11  ARG   2          HH11      ARG   2  16.745  -6.192   0.088
   24   HH12  ARG   2          HH12      ARG   2  17.266  -7.112   1.461
   25   HH21  ARG   2          HH21      ARG   2  16.117  -4.800   3.831
   26   HH22  ARG   2          HH22      ARG   2  16.901  -6.327   3.589
   27    H    LEU   3           HN       LEU   3  13.434  -1.793   1.654
   28    HA   LEU   3           HA       LEU   3  11.314  -0.960   3.358
   29    HB2  LEU   3           HB2      LEU   3  13.457   0.078   3.603
   30    HB3  LEU   3           HB1      LEU   3  13.455   0.589   1.926
   31    HG   LEU   3           HG       LEU   3  11.636   2.152   2.377
   32   HD11  LEU   3          HD11      LEU   3  11.841   1.193   5.226
   33   HD12  LEU   3          HD12      LEU   3  10.493   0.900   4.123
   34   HD13  LEU   3          HD13      LEU   3  10.859   2.544   4.656
   35   HD21  LEU   3          HD21      LEU   3  13.937   2.915   2.655
   36   HD22  LEU   3          HD22      LEU   3  13.905   2.414   4.346
   37   HD23  LEU   3          HD23      LEU   3  12.855   3.720   3.793
   38    H    ILE   4           HN       ILE   4  12.225   0.355   0.200
   39    HA   ILE   4           HA       ILE   4   9.935   1.885  -0.142
   40    HB   ILE   4           HB       ILE   4  11.930   0.799  -2.091
   41   HG12  ILE   4          HG12      ILE   4  12.586   2.558  -0.471
   42   HG13  ILE   4          HG11      ILE   4  12.699   3.092  -2.144
   43   HG21  ILE   4          HG21      ILE   4   9.866   0.995  -3.343
   44   HG22  ILE   4          HG22      ILE   4  10.986   2.276  -3.809
   45   HG23  ILE   4          HG23      ILE   4   9.630   2.636  -2.737
   46   HD11  ILE   4          HD11      ILE   4  10.525   3.772  -0.179
   47   HD12  ILE   4          HD12      ILE   4  10.531   4.243  -1.878
   48   HD13  ILE   4          HD13      ILE   4  11.780   4.848  -0.791
   49    H    HIS   5           HN       HIS   5  10.516  -1.457  -0.982
   50    HA   HIS   5           HA       HIS   5   8.219  -1.751  -2.649
   51    HB2  HIS   5           HB2      HIS   5   9.825  -3.880  -1.213
   52    HB3  HIS   5           HB1      HIS   5   8.679  -4.158  -2.521
   53    HD1  HIS   5           HD1      HIS   5   9.638  -4.153  -4.826
   54    HD2  HIS   5           HD2      HIS   5  12.098  -2.239  -2.077
   55    HE1  HIS   5           HE1      HIS   5  11.728  -3.553  -6.086
   56    HE2  HIS   5           HE2      HIS   5  13.129  -2.257  -4.451
   57    H    ALA   6           HN       ALA   6   8.786  -1.766   0.725
   58    HA   ALA   6           HA       ALA   6   6.249  -3.033   1.370
   59    HB1  ALA   6           HB1      ALA   6   8.264  -3.466   2.737
   60    HB2  ALA   6           HB2      ALA   6   6.950  -2.763   3.678
   61    HB3  ALA   6           HB3      ALA   6   8.311  -1.756   3.171
   62    H    VAL   7           HN       VAL   7   7.858   0.049   1.369
   63    HA   VAL   7           HA       VAL   7   5.993   1.693   2.579
   64    HB   VAL   7           HB       VAL   7   8.016   2.158   0.409
   65   HG11  VAL   7          HG11      VAL   7   6.144   4.194   1.597
   66   HG12  VAL   7          HG12      VAL   7   6.372   3.788  -0.113
   67   HG13  VAL   7          HG13      VAL   7   7.653   4.611   0.784
   68   HG21  VAL   7          HG21      VAL   7   9.151   3.412   2.183
   69   HG22  VAL   7          HG22      VAL   7   8.861   1.727   2.625
   70   HG23  VAL   7          HG23      VAL   7   7.837   3.003   3.289
   71    H    ARG   8           HN       ARG   8   6.372   1.002  -0.879
   72    HA   ARG   8           HA       ARG   8   4.175   2.582  -1.662
   73    HB2  ARG   8           HB2      ARG   8   5.607   0.343  -3.082
   74    HB3  ARG   8           HB1      ARG   8   4.452   1.434  -3.848
   75    HG2  ARG   8           HG2      ARG   8   5.886   3.334  -3.305
   76    HG3  ARG   8           HG1      ARG   8   7.040   2.245  -2.535
   77    HD2  ARG   8           HD2      ARG   8   7.797   2.774  -4.766
   78    HD3  ARG   8           HD1      ARG   8   7.323   1.079  -4.694
   79    HE   ARG   8           HE       ARG   8   5.377   1.598  -5.949
   80   HH11  ARG   8          HH11      ARG   8   7.578   4.294  -5.573
   81   HH12  ARG   8          HH12      ARG   8   6.949   5.170  -6.930
   82   HH21  ARG   8          HH21      ARG   8   4.528   2.752  -7.732
   83   HH22  ARG   8          HH22      ARG   8   5.200   4.292  -8.159
   84    H    GLY   9           HN       GLY   9   4.498  -0.852  -0.954
   85    HA2  GLY   9           HA2      GLY   9   1.781  -1.474  -1.607
   86    HA3  GLY   9           HA1      GLY   9   2.889  -2.489  -0.696
   87    H    TYR  10           HN       TYR  10   3.092   0.332   0.827
   88    HA   TYR  10           HA       TYR  10   1.061  -0.335   2.780
   89    HB2  TYR  10           HB2      TYR  10   3.020   0.136   3.909
   90    HB3  TYR  10           HB1      TYR  10   3.533   1.326   2.727
   91    HD1  TYR  10           HD1      TYR  10   3.628   3.463   3.413
   92    HD2  TYR  10           HD2      TYR  10   0.758   0.905   5.213
   93    HE1  TYR  10           HE1      TYR  10   2.930   5.303   4.883
   94    HE2  TYR  10           HE2      TYR  10   0.039   2.733   6.692
   95    HH   TYR  10           HH       TYR  10   1.076   5.999   6.216
   96    H    TRP  11           HN       TRP  11   2.105   2.653   1.048
   97    HA   TRP  11           HA       TRP  11  -0.305   3.929   1.960
   98    HB2  TRP  11           HB2      TRP  11   0.518   5.955   0.871
   99    HB3  TRP  11           HB1      TRP  11   1.715   5.245   1.939
  100    HD1  TRP  11           HD1      TRP  11   3.873   4.088   0.715
  101    HE1  TRP  11           HE1      TRP  11   4.991   4.664  -1.533
  102    HE3  TRP  11           HE3      TRP  11   0.050   6.687  -1.445
  103    HZ2  TRP  11           HZ2      TRP  11   4.337   6.040  -3.902
  104    HZ3  TRP  11           HZ3      TRP  11   0.381   7.618  -3.703
  105    HH2  TRP  11           HH2      TRP  11   2.480   7.296  -4.904
  106    H    LEU  12           HN       LEU  12   0.624   2.361  -1.002
  107    HA   LEU  12           HA       LEU  12  -1.432   3.625  -2.577
  108    HB2  LEU  12           HB2      LEU  12   0.175   1.101  -3.035
  109    HB3  LEU  12           HB1      LEU  12  -0.937   1.790  -4.202
  110    HG   LEU  12           HG       LEU  12   1.523   3.191  -3.159
  111   HD11  LEU  12          HD11      LEU  12   2.487   2.718  -5.354
  112   HD12  LEU  12          HD12      LEU  12   1.057   1.782  -5.788
  113   HD13  LEU  12          HD13      LEU  12   2.114   1.228  -4.490
  114   HD21  LEU  12          HD21      LEU  12   1.091   4.705  -5.054
  115   HD22  LEU  12          HD22      LEU  12  -0.200   4.720  -3.853
  116   HD23  LEU  12          HD23      LEU  12  -0.417   3.845  -5.370
  117    H    THR  13           HN       THR  13  -0.963   0.852  -0.623
  118    HA   THR  13           HA       THR  13  -3.453  -0.397  -1.234
  119    HB   THR  13           HB       THR  13  -1.230  -0.933   0.736
  120    HG1  THR  13           HG1      THR  13  -1.525  -1.325  -1.916
  121   HG21  THR  13          HG21      THR  13  -3.536  -2.667  -0.067
  122   HG22  THR  13          HG22      THR  13  -3.260  -1.944   1.517
  123   HG23  THR  13          HG23      THR  13  -2.156  -3.173   0.903
  124    H    ASN  14           HN       ASN  14  -2.505   2.170   0.709
  125    HA   ASN  14           HA       ASN  14  -4.706   1.735   2.600
  126    HB2  ASN  14           HB2      ASN  14  -2.297   3.479   2.619
  127    HB3  ASN  14           HB1      ASN  14  -3.716   4.001   3.512
  128   HD21  ASN  14          HD21      ASN  14  -2.811   0.648   3.108
  129   HD22  ASN  14          HD22      ASN  14  -2.392   0.363   4.757
  130    H    LYS  15           HN       LYS  15  -3.581   3.959   0.097
  131    HA   LYS  15           HA       LYS  15  -5.626   5.884   0.486
  132    HB2  LYS  15           HB2      LYS  15  -4.916   6.803  -1.676
  133    HB3  LYS  15           HB1      LYS  15  -3.561   6.502  -0.607
  134    HG2  LYS  15           HG2      LYS  15  -2.788   5.783  -2.662
  135    HG3  LYS  15           HG1      LYS  15  -3.314   4.288  -1.893
  136    HD2  LYS  15           HD2      LYS  15  -5.399   4.357  -3.132
  137    HD3  LYS  15           HD1      LYS  15  -4.948   5.901  -3.851
  138    HE2  LYS  15           HE2      LYS  15  -3.324   3.392  -4.195
  139    HE3  LYS  15           HE1      LYS  15  -4.611   3.860  -5.305
  140    HZ1  LYS  15           HZ1      LYS  15  -2.215   5.504  -4.686
  141    HZ2  LYS  15           HZ2      LYS  15  -3.421   5.881  -5.803
  142    HZ3  LYS  15           HZ3      LYS  15  -2.412   4.555  -6.072
  143    H    VAL  16           HN       VAL  16  -5.495   2.919  -1.164
  144    HA   VAL  16           HA       VAL  16  -7.520   3.081  -3.010
  145    HB   VAL  16           HB       VAL  16  -6.210   1.092  -2.886
  146   HG11  VAL  16          HG11      VAL  16  -6.246  -0.441  -1.008
  147   HG12  VAL  16          HG12      VAL  16  -7.391   0.593  -0.156
  148   HG13  VAL  16          HG13      VAL  16  -5.749   1.166  -0.465
  149   HG21  VAL  16          HG21      VAL  16  -8.440   0.734  -3.738
  150   HG22  VAL  16          HG22      VAL  16  -9.064   0.507  -2.104
  151   HG23  VAL  16          HG23      VAL  16  -7.948  -0.673  -2.794
  152    HA   PRO  17           HA       PRO  17 -10.975   4.019  -0.283
  153    HB2  PRO  17           HB2      PRO  17 -12.788   4.219  -2.326
  154    HB3  PRO  17           HB1      PRO  17 -11.731   5.540  -1.816
  155    HG2  PRO  17           HG2      PRO  17 -11.439   3.651  -4.111
  156    HG3  PRO  17           HG1      PRO  17 -11.090   5.387  -4.036
  157    HD2  PRO  17           HD2      PRO  17  -9.148   3.505  -3.898
  158    HD3  PRO  17           HD1      PRO  17  -9.029   5.055  -3.049
  159    H    ILE  18           HN       ILE  18 -11.701   2.324   0.795
  160    HA   ILE  18           HA       ILE  18 -13.355   0.370  -0.605
  161    HB   ILE  18           HB       ILE  18 -12.418  -1.430   0.947
  162   HG12  ILE  18          HG12      ILE  18 -10.129   0.544   1.104
  163   HG13  ILE  18          HG11      ILE  18 -11.174   0.074   2.439
  164   HG21  ILE  18          HG21      ILE  18 -10.547  -1.950  -0.581
  165   HG22  ILE  18          HG22      ILE  18 -10.707  -0.338  -1.278
  166   HG23  ILE  18          HG23      ILE  18 -12.027  -1.497  -1.426
  167   HD11  ILE  18          HD11      ILE  18  -9.047  -1.068   2.564
  168   HD12  ILE  18          HD12      ILE  18  -9.284  -1.729   0.946
  169   HD13  ILE  18          HD13      ILE  18 -10.347  -2.221   2.264
  170    H    LYS  19           HN       LYS  19 -14.073   2.606   0.881
  171    HA   LYS  19           HA       LYS  19 -15.117   1.487   3.383
  172    HB2  LYS  19           HB2      LYS  19 -15.071   4.331   2.359
  173    HB3  LYS  19           HB1      LYS  19 -15.823   3.835   3.867
  174    HG2  LYS  19           HG2      LYS  19 -12.899   3.618   3.179
  175    HG3  LYS  19           HG1      LYS  19 -13.637   4.781   4.283
  176    HD2  LYS  19           HD2      LYS  19 -14.381   2.915   5.711
  177    HD3  LYS  19           HD1      LYS  19 -13.582   1.782   4.621
  178    HE2  LYS  19           HE2      LYS  19 -12.160   2.197   6.520
  179    HE3  LYS  19           HE1      LYS  19 -11.433   2.906   5.080
  180    HZ1  LYS  19           HZ1      LYS  19 -12.930   4.358   7.192
  181    HZ2  LYS  19           HZ2      LYS  19 -12.327   5.062   5.779
  182    HZ3  LYS  19           HZ3      LYS  19 -11.261   4.419   6.917
  183    H    ARG  20           HN       ARG  20 -15.990   2.440   0.209
  184    HA   ARG  20           HA       ARG  20 -18.835   2.282   0.670
  185    HB2  ARG  20           HB2      ARG  20 -17.309   2.251  -1.944
  186    HB3  ARG  20           HB1      ARG  20 -19.013   2.588  -1.730
  187    HG2  ARG  20           HG2      ARG  20 -16.725   4.280  -0.795
  188    HG3  ARG  20           HG1      ARG  20 -17.832   4.639  -2.117
  189    HD2  ARG  20           HD2      ARG  20 -18.589   4.368   0.790
  190    HD3  ARG  20           HD1      ARG  20 -18.398   5.888  -0.079
  191    HE   ARG  20           HE       ARG  20 -20.244   4.766  -1.575
  192   HH11  ARG  20          HH11      ARG  20 -19.995   4.758   1.920
  193   HH12  ARG  20          HH12      ARG  20 -21.711   4.719   2.164
  194   HH21  ARG  20          HH21      ARG  20 -22.499   4.706  -1.254
  195   HH22  ARG  20          HH22      ARG  20 -23.136   4.679   0.363
  196    HA   PRO  21           HA       PRO  21 -19.166  -2.022   0.115
  197    HB2  PRO  21           HB2      PRO  21 -21.484  -2.388  -1.212
  198    HB3  PRO  21           HB1      PRO  21 -21.420  -1.718   0.421
  199    HG2  PRO  21           HG2      PRO  21 -21.909  -0.359  -2.165
  200    HG3  PRO  21           HG1      PRO  21 -22.498   0.050  -0.547
  201    HD2  PRO  21           HD2      PRO  21 -20.350   1.248  -1.921
  202    HD3  PRO  21           HD1      PRO  21 -20.768   1.477  -0.216
  203    H    SER  22           HN       SER  22 -17.574  -0.778  -1.986
  204    HA   SER  22           HA       SER  22 -16.517  -1.298  -3.923
  205    HB2  SER  22           HB2      SER  22 -17.463  -4.093  -3.254
  206    HB3  SER  22           HB1      SER  22 -16.104  -3.671  -4.294
  207    HG   SER  22           HG       SER  22 -16.296  -3.696  -1.534
  Start of MODEL   10
    1    H1   LEU   1           HT1      LEU   1  12.916  -9.141   3.345
    2    H2   LEU   1           HT2      LEU   1  13.704  -7.963   2.427
    3    H3   LEU   1           HT3      LEU   1  12.369  -8.775   1.790
    4    HA   LEU   1           HA       LEU   1  10.929  -7.804   3.439
    5    HB2  LEU   1           HB2      LEU   1  12.578  -7.566   5.216
    6    HB3  LEU   1           HB1      LEU   1  13.447  -6.367   4.282
    7    HG   LEU   1           HG       LEU   1  11.499  -4.849   4.454
    8   HD11  LEU   1          HD11      LEU   1   9.713  -5.372   6.052
    9   HD12  LEU   1          HD12      LEU   1  10.382  -6.990   6.260
   10   HD13  LEU   1          HD13      LEU   1   9.734  -6.499   4.696
   11   HD21  LEU   1          HD21      LEU   1  13.338  -4.691   6.055
   12   HD22  LEU   1          HD22      LEU   1  12.535  -5.864   7.098
   13   HD23  LEU   1          HD23      LEU   1  11.795  -4.290   6.811
   14    H    ARG   2           HN       ARG   2  13.554  -5.646   2.368
   15    HA   ARG   2           HA       ARG   2  13.644  -3.948   0.880
   16    HB2  ARG   2           HB2      ARG   2  11.348  -5.461  -0.180
   17    HB3  ARG   2           HB1      ARG   2  11.450  -3.775  -0.655
   18    HG2  ARG   2           HG2      ARG   2  12.501  -5.372  -2.248
   19    HG3  ARG   2           HG1      ARG   2  13.583  -4.110  -1.663
   20    HD2  ARG   2           HD2      ARG   2  14.498  -5.707  -0.021
   21    HD3  ARG   2           HD1      ARG   2  13.445  -6.957  -0.676
   22    HE   ARG   2           HE       ARG   2  15.224  -5.679  -2.576
   23   HH11  ARG   2          HH11      ARG   2  14.703  -8.367  -0.392
   24   HH12  ARG   2          HH12      ARG   2  15.862  -9.391  -1.177
   25   HH21  ARG   2          HH21      ARG   2  16.757  -7.037  -3.606
   26   HH22  ARG   2          HH22      ARG   2  17.030  -8.638  -2.994
   27    H    LEU   3           HN       LEU   3  13.331  -1.922   1.179
   28    HA   LEU   3           HA       LEU   3  11.430  -1.086   3.155
   29    HB2  LEU   3           HB2      LEU   3  13.644  -0.197   3.307
   30    HB3  LEU   3           HB1      LEU   3  13.595   0.342   1.639
   31    HG   LEU   3           HG       LEU   3  11.965   2.055   2.198
   32   HD11  LEU   3          HD11      LEU   3  12.179   1.016   5.015
   33   HD12  LEU   3          HD12      LEU   3  10.772   0.889   3.958
   34   HD13  LEU   3          HD13      LEU   3  11.320   2.472   4.513
   35   HD21  LEU   3          HD21      LEU   3  13.378   3.467   3.597
   36   HD22  LEU   3          HD22      LEU   3  14.336   2.592   2.403
   37   HD23  LEU   3          HD23      LEU   3  14.317   2.057   4.083
   38    H    ILE   4           HN       ILE   4  12.176  -0.077  -0.147
   39    HA   ILE   4           HA       ILE   4  10.102   1.816  -0.301
   40    HB   ILE   4           HB       ILE   4  11.767   0.459  -2.390
   41   HG12  ILE   4          HG12      ILE   4  12.840   2.037  -0.807
   42   HG13  ILE   4          HG11      ILE   4  12.907   2.592  -2.478
   43   HG21  ILE   4          HG21      ILE   4   9.729   0.985  -3.514
   44   HG22  ILE   4          HG22      ILE   4  10.930   2.195  -3.970
   45   HG23  ILE   4          HG23      ILE   4   9.682   2.592  -2.786
   46   HD11  ILE   4          HD11      ILE   4  11.032   3.567  -0.336
   47   HD12  ILE   4          HD12      ILE   4  11.008   4.091  -2.018
   48   HD13  ILE   4          HD13      ILE   4  12.413   4.434  -1.009
   49    H    HIS   5           HN       HIS   5  10.226  -1.588  -1.008
   50    HA   HIS   5           HA       HIS   5   7.764  -1.638  -2.496
   51    HB2  HIS   5           HB2      HIS   5   9.276  -3.918  -1.202
   52    HB3  HIS   5           HB1      HIS   5   7.974  -4.080  -2.377
   53    HD1  HIS   5           HD1      HIS   5   8.701  -4.243  -4.754
   54    HD2  HIS   5           HD2      HIS   5  11.581  -2.490  -2.333
   55    HE1  HIS   5           HE1      HIS   5  10.696  -3.857  -6.235
   56    HE2  HIS   5           HE2      HIS   5  12.350  -2.636  -4.797
   57    H    ALA   6           HN       ALA   6   8.712  -1.850   0.809
   58    HA   ALA   6           HA       ALA   6   6.176  -2.864   1.741
   59    HB1  ALA   6           HB1      ALA   6   8.269  -3.400   2.921
   60    HB2  ALA   6           HB2      ALA   6   7.125  -2.549   3.962
   61    HB3  ALA   6           HB3      ALA   6   8.497  -1.684   3.266
   62    H    VAL   7           HN       VAL   7   7.798   0.113   1.173
   63    HA   VAL   7           HA       VAL   7   6.055   1.803   2.620
   64    HB   VAL   7           HB       VAL   7   8.038   2.290   0.414
   65   HG11  VAL   7          HG11      VAL   7   6.390   3.941  -0.028
   66   HG12  VAL   7          HG12      VAL   7   7.687   4.743   0.869
   67   HG13  VAL   7          HG13      VAL   7   6.191   4.295   1.695
   68   HG21  VAL   7          HG21      VAL   7   9.213   3.517   2.191
   69   HG22  VAL   7          HG22      VAL   7   8.953   1.819   2.588
   70   HG23  VAL   7          HG23      VAL   7   7.934   3.060   3.321
   71    H    ARG   8           HN       ARG   8   6.415   1.194  -0.854
   72    HA   ARG   8           HA       ARG   8   4.142   2.697  -1.572
   73    HB2  ARG   8           HB2      ARG   8   5.655   0.562  -3.067
   74    HB3  ARG   8           HB1      ARG   8   4.433   1.607  -3.790
   75    HG2  ARG   8           HG2      ARG   8   5.785   3.567  -3.248
   76    HG3  ARG   8           HG1      ARG   8   7.000   2.529  -2.505
   77    HD2  ARG   8           HD2      ARG   8   7.699   3.130  -4.741
   78    HD3  ARG   8           HD1      ARG   8   7.341   1.408  -4.671
   79    HE   ARG   8           HE       ARG   8   5.213   3.160  -5.616
   80   HH11  ARG   8          HH11      ARG   8   7.823   0.973  -6.420
   81   HH12  ARG   8          HH12      ARG   8   7.219   0.622  -8.006
   82   HH21  ARG   8          HH21      ARG   8   4.405   2.705  -7.716
   83   HH22  ARG   8          HH22      ARG   8   5.270   1.606  -8.743
   84    H    GLY   9           HN       GLY   9   4.638  -0.742  -0.969
   85    HA2  GLY   9           HA2      GLY   9   1.948  -1.488  -1.575
   86    HA3  GLY   9           HA1      GLY   9   3.117  -2.454  -0.682
   87    H    TYR  10           HN       TYR  10   3.193   0.344   0.890
   88    HA   TYR  10           HA       TYR  10   1.192  -0.429   2.836
   89    HB2  TYR  10           HB2      TYR  10   3.126   0.143   3.966
   90    HB3  TYR  10           HB1      TYR  10   3.579   1.351   2.783
   91    HD1  TYR  10           HD1      TYR  10   0.748   0.852   5.198
   92    HD2  TYR  10           HD2      TYR  10   3.666   3.447   3.538
   93    HE1  TYR  10           HE1      TYR  10  -0.003   2.642   6.708
   94    HE2  TYR  10           HE2      TYR  10   2.929   5.251   5.028
   95    HH   TYR  10           HH       TYR  10   0.867   5.880   6.283
   96    H    TRP  11           HN       TRP  11   2.110   2.618   1.153
   97    HA   TRP  11           HA       TRP  11  -0.368   3.746   2.073
   98    HB2  TRP  11           HB2      TRP  11   0.399   5.857   1.160
   99    HB3  TRP  11           HB1      TRP  11   1.623   5.115   2.173
  100    HD1  TRP  11           HD1      TRP  11   3.834   4.168   0.884
  101    HE1  TRP  11           HE1      TRP  11   4.926   4.951  -1.318
  102    HE3  TRP  11           HE3      TRP  11  -0.113   6.706  -1.097
  103    HZ2  TRP  11           HZ2      TRP  11   4.195   6.466  -3.589
  104    HZ3  TRP  11           HZ3      TRP  11   0.158   7.818  -3.280
  105    HH2  TRP  11           HH2      TRP  11   2.271   7.695  -4.501
  106    H    LEU  12           HN       LEU  12   0.709   2.365  -0.934
  107    HA   LEU  12           HA       LEU  12  -1.319   3.663  -2.522
  108    HB2  LEU  12           HB2      LEU  12   0.415   1.243  -3.060
  109    HB3  LEU  12           HB1      LEU  12  -0.678   1.955  -4.233
  110    HG   LEU  12           HG       LEU  12   1.654   3.413  -2.991
  111   HD11  LEU  12          HD11      LEU  12   1.403   2.121  -5.708
  112   HD12  LEU  12          HD12      LEU  12   2.425   1.559  -4.387
  113   HD13  LEU  12          HD13      LEU  12   2.752   3.112  -5.155
  114   HD21  LEU  12          HD21      LEU  12  -0.136   4.867  -3.701
  115   HD22  LEU  12          HD22      LEU  12  -0.185   4.081  -5.279
  116   HD23  LEU  12          HD23      LEU  12   1.234   5.013  -4.803
  117    H    THR  13           HN       THR  13  -0.934   0.939  -0.555
  118    HA   THR  13           HA       THR  13  -3.252  -0.486  -1.408
  119    HB   THR  13           HB       THR  13  -1.335  -0.791   0.906
  120    HG1  THR  13           HG1      THR  13  -0.208  -2.119  -0.435
  121   HG21  THR  13          HG21      THR  13  -2.091  -3.090   0.978
  122   HG22  THR  13          HG22      THR  13  -3.295  -2.729  -0.258
  123   HG23  THR  13          HG23      THR  13  -3.393  -1.955   1.322
  124    H    ASN  14           HN       ASN  14  -2.622   2.163   0.591
  125    HA   ASN  14           HA       ASN  14  -4.921   1.629   2.326
  126    HB2  ASN  14           HB2      ASN  14  -2.438   3.164   2.629
  127    HB3  ASN  14           HB1      ASN  14  -3.872   3.894   3.329
  128   HD21  ASN  14          HD21      ASN  14  -1.653   1.238   3.475
  129   HD22  ASN  14          HD22      ASN  14  -2.191   0.616   4.999
  130    H    LYS  15           HN       LYS  15  -3.686   4.042   0.039
  131    HA   LYS  15           HA       LYS  15  -5.578   6.061   0.445
  132    HB2  LYS  15           HB2      LYS  15  -4.276   5.252  -2.161
  133    HB3  LYS  15           HB1      LYS  15  -5.064   6.793  -1.847
  134    HG2  LYS  15           HG2      LYS  15  -2.695   5.770  -0.324
  135    HG3  LYS  15           HG1      LYS  15  -2.583   6.849  -1.720
  136    HD2  LYS  15           HD2      LYS  15  -3.843   8.554  -0.564
  137    HD3  LYS  15           HD1      LYS  15  -4.134   7.470   0.795
  138    HE2  LYS  15           HE2      LYS  15  -1.397   8.368  -0.090
  139    HE3  LYS  15           HE1      LYS  15  -2.335   9.169   1.169
  140    HZ1  LYS  15           HZ1      LYS  15  -1.505   6.322   1.242
  141    HZ2  LYS  15           HZ2      LYS  15  -2.297   7.170   2.470
  142    HZ3  LYS  15           HZ3      LYS  15  -0.714   7.578   2.049
  143    H    VAL  16           HN       VAL  16  -5.655   3.283  -1.651
  144    HA   VAL  16           HA       VAL  16  -8.167   3.498  -2.772
  145    HB   VAL  16           HB       VAL  16  -6.773   1.792  -3.574
  146   HG11  VAL  16          HG11      VAL  16  -5.747   0.079  -2.181
  147   HG12  VAL  16          HG12      VAL  16  -6.554   0.729  -0.756
  148   HG13  VAL  16          HG13      VAL  16  -5.322   1.688  -1.580
  149   HG21  VAL  16          HG21      VAL  16  -9.124   1.080  -3.426
  150   HG22  VAL  16          HG22      VAL  16  -8.802   0.374  -1.841
  151   HG23  VAL  16          HG23      VAL  16  -8.014  -0.283  -3.277
  152    HA   PRO  17           HA       PRO  17 -10.540   3.186   1.061
  153    HB2  PRO  17           HB2      PRO  17 -12.934   3.772  -0.078
  154    HB3  PRO  17           HB1      PRO  17 -11.755   5.014   0.363
  155    HG2  PRO  17           HG2      PRO  17 -12.298   3.782  -2.312
  156    HG3  PRO  17           HG1      PRO  17 -12.009   5.484  -1.900
  157    HD2  PRO  17           HD2      PRO  17 -10.081   3.890  -2.940
  158    HD3  PRO  17           HD1      PRO  17  -9.724   5.198  -1.798
  159    H    ILE  18           HN       ILE  18 -10.909   1.188   1.731
  160    HA   ILE  18           HA       ILE  18 -11.939  -0.797  -0.136
  161    HB   ILE  18           HB       ILE  18 -11.401  -2.461   1.611
  162   HG12  ILE  18          HG12      ILE  18 -10.285  -0.100   3.145
  163   HG13  ILE  18          HG11      ILE  18 -11.771  -0.949   3.556
  164   HG21  ILE  18          HG21      ILE  18  -9.729  -1.920  -0.052
  165   HG22  ILE  18          HG22      ILE  18  -8.952  -2.217   1.504
  166   HG23  ILE  18          HG23      ILE  18  -9.162  -0.565   0.923
  167   HD11  ILE  18          HD11      ILE  18  -9.009  -2.140   3.528
  168   HD12  ILE  18          HD12      ILE  18 -10.498  -2.990   3.945
  169   HD13  ILE  18          HD13      ILE  18  -9.926  -1.665   4.957
  170    H    LYS  19           HN       LYS  19 -13.539   1.321   0.949
  171    HA   LYS  19           HA       LYS  19 -15.475  -0.147   2.602
  172    HB2  LYS  19           HB2      LYS  19 -15.121   2.833   2.250
  173    HB3  LYS  19           HB1      LYS  19 -16.299   2.059   3.298
  174    HG2  LYS  19           HG2      LYS  19 -14.523   1.129   4.659
  175    HG3  LYS  19           HG1      LYS  19 -13.310   1.806   3.573
  176    HD2  LYS  19           HD2      LYS  19 -13.509   3.214   5.524
  177    HD3  LYS  19           HD1      LYS  19 -14.149   4.073   4.122
  178    HE2  LYS  19           HE2      LYS  19 -16.422   3.448   4.794
  179    HE3  LYS  19           HE1      LYS  19 -15.771   2.615   6.203
  180    HZ1  LYS  19           HZ1      LYS  19 -15.545   5.522   5.646
  181    HZ2  LYS  19           HZ2      LYS  19 -14.892   4.731   6.990
  182    HZ3  LYS  19           HZ3      LYS  19 -16.568   4.805   6.787
  183    H    ARG  20           HN       ARG  20 -14.902   1.109  -0.465
  184    HA   ARG  20           HA       ARG  20 -17.729   1.358  -1.135
  185    HB2  ARG  20           HB2      ARG  20 -16.926   2.092  -3.349
  186    HB3  ARG  20           HB1      ARG  20 -16.251   3.061  -2.052
  187    HG2  ARG  20           HG2      ARG  20 -14.163   1.757  -2.207
  188    HG3  ARG  20           HG1      ARG  20 -14.852   0.872  -3.572
  189    HD2  ARG  20           HD2      ARG  20 -15.117   3.002  -4.783
  190    HD3  ARG  20           HD1      ARG  20 -14.365   3.846  -3.431
  191    HE   ARG  20           HE       ARG  20 -12.708   1.750  -4.419
  192   HH11  ARG  20          HH11      ARG  20 -13.717   5.049  -5.003
  193   HH12  ARG  20          HH12      ARG  20 -12.300   5.459  -5.914
  194   HH21  ARG  20          HH21      ARG  20 -10.822   2.289  -5.598
  195   HH22  ARG  20          HH22      ARG  20 -10.650   3.886  -6.251
  196    HA   PRO  21           HA       PRO  21 -18.013  -2.747  -2.647
  197    HB2  PRO  21           HB2      PRO  21 -20.015  -2.525  -4.438
  198    HB3  PRO  21           HB1      PRO  21 -20.282  -2.351  -2.699
  199    HG2  PRO  21           HG2      PRO  21 -19.975  -0.229  -4.790
  200    HG3  PRO  21           HG1      PRO  21 -21.140  -0.323  -3.455
  201    HD2  PRO  21           HD2      PRO  21 -18.882   1.191  -3.353
  202    HD3  PRO  21           HD1      PRO  21 -19.629   0.467  -1.916
  203    H    SER  22           HN       SER  22 -15.768  -1.879  -3.729
  204    HA   SER  22           HA       SER  22 -16.000  -2.743  -6.530
  205    HB2  SER  22           HB2      SER  22 -15.496  -0.246  -6.230
  206    HB3  SER  22           HB1      SER  22 -13.937  -0.746  -5.584
  207    HG   SER  22           HG       SER  22 -14.922  -1.532  -8.130
  Start of MODEL   11
    1    H1   LEU   1           HT1      LEU   1  10.137  -9.104   2.624
    2    H2   LEU   1           HT2      LEU   1  11.449  -8.746   1.623
    3    H3   LEU   1           HT3      LEU   1  10.176  -7.650   1.766
    4    HA   LEU   1           HA       LEU   1  10.680  -7.257   4.048
    5    HB2  LEU   1           HB2      LEU   1  13.057  -8.227   4.707
    6    HB3  LEU   1           HB1      LEU   1  11.572  -9.099   5.020
    7    HG   LEU   1           HG       LEU   1  11.985 -10.359   2.861
    8   HD11  LEU   1          HD11      LEU   1  14.722  -9.128   3.129
    9   HD12  LEU   1          HD12      LEU   1  13.567  -8.817   1.834
   10   HD13  LEU   1          HD13      LEU   1  14.272 -10.422   2.019
   11   HD21  LEU   1          HD21      LEU   1  13.613 -11.867   3.892
   12   HD22  LEU   1          HD22      LEU   1  12.393 -11.335   5.049
   13   HD23  LEU   1          HD23      LEU   1  14.007 -10.625   5.081
   14    H    ARG   2           HN       ARG   2  10.782  -5.589   2.177
   15    HA   ARG   2           HA       ARG   2  13.507  -4.465   2.188
   16    HB2  ARG   2           HB2      ARG   2  12.513  -5.404  -0.072
   17    HB3  ARG   2           HB1      ARG   2  11.599  -3.901  -0.053
   18    HG2  ARG   2           HG2      ARG   2  13.532  -3.558  -1.386
   19    HG3  ARG   2           HG1      ARG   2  13.763  -2.676   0.124
   20    HD2  ARG   2           HD2      ARG   2  15.807  -3.811  -0.469
   21    HD3  ARG   2           HD1      ARG   2  15.118  -4.551   0.975
   22    HE   ARG   2           HE       ARG   2  14.375  -5.830  -1.504
   23   HH11  ARG   2          HH11      ARG   2  16.684  -5.717   1.121
   24   HH12  ARG   2          HH12      ARG   2  17.244  -7.338   0.871
   25   HH21  ARG   2          HH21      ARG   2  15.126  -7.945  -1.866
   26   HH22  ARG   2          HH22      ARG   2  16.367  -8.608  -0.850
   27    H    LEU   3           HN       LEU   3  13.263  -1.957   1.568
   28    HA   LEU   3           HA       LEU   3  11.319  -0.936   3.448
   29    HB2  LEU   3           HB2      LEU   3  13.532  -0.039   3.629
   30    HB3  LEU   3           HB1      LEU   3  13.541   0.405   1.932
   31    HG   LEU   3           HG       LEU   3  11.852   2.109   2.327
   32   HD11  LEU   3          HD11      LEU   3  10.617   0.978   4.103
   33   HD12  LEU   3          HD12      LEU   3  11.065   2.621   4.571
   34   HD13  LEU   3          HD13      LEU   3  11.964   1.247   5.213
   35   HD21  LEU   3          HD21      LEU   3  14.190   2.730   2.603
   36   HD22  LEU   3          HD22      LEU   3  14.125   2.265   4.303
   37   HD23  LEU   3          HD23      LEU   3  13.166   3.627   3.725
   38    H    ILE   4           HN       ILE   4  12.276   0.186   0.229
   39    HA   ILE   4           HA       ILE   4  10.062   1.848  -0.111
   40    HB   ILE   4           HB       ILE   4  11.942   0.645  -2.113
   41   HG12  ILE   4          HG12      ILE   4  12.948   2.156  -0.494
   42   HG13  ILE   4          HG11      ILE   4  12.915   2.908  -2.085
   43   HG21  ILE   4          HG21      ILE   4   9.849   2.760  -2.566
   44   HG22  ILE   4          HG22      ILE   4   9.919   1.160  -3.308
   45   HG23  ILE   4          HG23      ILE   4  11.148   2.365  -3.693
   46   HD11  ILE   4          HD11      ILE   4  12.338   4.530  -0.422
   47   HD12  ILE   4          HD12      ILE   4  11.079   3.482   0.225
   48   HD13  ILE   4          HD13      ILE   4  10.907   4.173  -1.389
   49    H    HIS   5           HN       HIS   5  10.481  -1.527  -0.905
   50    HA   HIS   5           HA       HIS   5   8.160  -1.664  -2.594
   51    HB2  HIS   5           HB2      HIS   5   9.745  -3.901  -1.308
   52    HB3  HIS   5           HB1      HIS   5   8.540  -4.094  -2.580
   53    HD1  HIS   5           HD1      HIS   5   9.404  -3.993  -4.922
   54    HD2  HIS   5           HD2      HIS   5  12.018  -2.280  -2.186
   55    HE1  HIS   5           HE1      HIS   5  11.450  -3.375  -6.241
   56    HE2  HIS   5           HE2      HIS   5  12.971  -2.232  -4.593
   57    H    ALA   6           HN       ALA   6   8.776  -1.722   0.729
   58    HA   ALA   6           HA       ALA   6   6.259  -2.983   1.453
   59    HB1  ALA   6           HB1      ALA   6   7.015  -2.572   3.751
   60    HB2  ALA   6           HB2      ALA   6   8.399  -1.663   3.134
   61    HB3  ALA   6           HB3      ALA   6   8.262  -3.394   2.811
   62    H    VAL   7           HN       VAL   7   7.883   0.112   1.437
   63    HA   VAL   7           HA       VAL   7   5.975   1.746   2.593
   64    HB   VAL   7           HB       VAL   7   8.054   2.251   0.482
   65   HG11  VAL   7          HG11      VAL   7   7.648   4.700   0.891
   66   HG12  VAL   7          HG12      VAL   7   6.116   4.244   1.643
   67   HG13  VAL   7          HG13      VAL   7   6.411   3.872  -0.063
   68   HG21  VAL   7          HG21      VAL   7   7.793   3.013   3.380
   69   HG22  VAL   7          HG22      VAL   7   9.112   3.515   2.319
   70   HG23  VAL   7          HG23      VAL   7   8.878   1.806   2.690
   71    H    ARG   8           HN       ARG   8   6.465   1.111  -0.865
   72    HA   ARG   8           HA       ARG   8   4.296   2.703  -1.671
   73    HB2  ARG   8           HB2      ARG   8   5.751   0.489  -3.100
   74    HB3  ARG   8           HB1      ARG   8   4.613   1.590  -3.873
   75    HG2  ARG   8           HG2      ARG   8   6.031   3.481  -3.306
   76    HG3  ARG   8           HG1      ARG   8   7.151   2.408  -2.470
   77    HD2  ARG   8           HD2      ARG   8   8.007   2.929  -4.671
   78    HD3  ARG   8           HD1      ARG   8   7.569   1.225  -4.589
   79    HE   ARG   8           HE       ARG   8   5.391   2.685  -5.605
   80   HH11  ARG   8          HH11      ARG   8   8.606   1.655  -6.511
   81   HH12  ARG   8          HH12      ARG   8   8.274   1.673  -8.212
   82   HH21  ARG   8          HH21      ARG   8   4.948   2.695  -7.856
   83   HH22  ARG   8          HH22      ARG   8   6.201   2.262  -8.973
   84    H    GLY   9           HN       GLY   9   4.571  -0.780  -1.142
   85    HA2  GLY   9           HA2      GLY   9   1.890  -1.383  -1.857
   86    HA3  GLY   9           HA1      GLY   9   2.942  -2.389  -0.867
   87    H    TYR  10           HN       TYR  10   3.193   0.232   0.808
   88    HA   TYR  10           HA       TYR  10   1.088  -0.443   2.649
   89    HB2  TYR  10           HB2      TYR  10   3.031   0.010   3.816
   90    HB3  TYR  10           HB1      TYR  10   3.544   1.243   2.680
   91    HD1  TYR  10           HD1      TYR  10   3.352   3.448   3.205
   92    HD2  TYR  10           HD2      TYR  10   1.012   0.630   5.356
   93    HE1  TYR  10           HE1      TYR  10   2.630   5.230   4.725
   94    HE2  TYR  10           HE2      TYR  10   0.266   2.408   6.888
   95    HH   TYR  10           HH       TYR  10   0.819   5.730   6.238
   96    H    TRP  11           HN       TRP  11   2.097   2.617   1.003
   97    HA   TRP  11           HA       TRP  11  -0.330   3.842   1.906
   98    HB2  TRP  11           HB2      TRP  11   0.376   5.845   0.658
   99    HB3  TRP  11           HB1      TRP  11   1.583   5.264   1.791
  100    HD1  TRP  11           HD1      TRP  11   3.803   4.136   0.698
  101    HE1  TRP  11           HE1      TRP  11   4.951   4.600  -1.556
  102    HE3  TRP  11           HE3      TRP  11  -0.066   6.436  -1.725
  103    HZ2  TRP  11           HZ2      TRP  11   4.308   5.777  -4.024
  104    HZ3  TRP  11           HZ3      TRP  11   0.287   7.211  -4.033
  105    HH2  TRP  11           HH2      TRP  11   2.431   6.888  -5.159
  106    H    LEU  12           HN       LEU  12   0.718   2.445  -1.147
  107    HA   LEU  12           HA       LEU  12  -1.416   3.410  -2.716
  108    HB2  LEU  12           HB2      LEU  12   0.171   0.852  -2.937
  109    HB3  LEU  12           HB1      LEU  12  -0.955   1.417  -4.155
  110    HG   LEU  12           HG       LEU  12   1.476   2.970  -3.275
  111   HD11  LEU  12          HD11      LEU  12   1.096   1.211  -5.700
  112   HD12  LEU  12          HD12      LEU  12   2.141   0.862  -4.323
  113   HD13  LEU  12          HD13      LEU  12   2.495   2.234  -5.372
  114   HD21  LEU  12          HD21      LEU  12   1.054   4.226  -5.343
  115   HD22  LEU  12          HD22      LEU  12  -0.290   4.340  -4.208
  116   HD23  LEU  12          HD23      LEU  12  -0.409   3.276  -5.609
  117    H    THR  13           HN       THR  13  -1.162   0.792  -0.438
  118    HA   THR  13           HA       THR  13  -3.768  -0.284  -1.169
  119    HB   THR  13           HB       THR  13  -1.533  -1.519  -0.355
  120    HG1  THR  13           HG1      THR  13  -3.513  -2.477  -1.130
  121   HG21  THR  13          HG21      THR  13  -3.150  -1.165   2.164
  122   HG22  THR  13          HG22      THR  13  -1.508  -0.587   1.872
  123   HG23  THR  13          HG23      THR  13  -1.829  -2.318   1.958
  124    H    ASN  14           HN       ASN  14  -2.668   2.194   0.646
  125    HA   ASN  14           HA       ASN  14  -4.542   1.836   2.865
  126    HB2  ASN  14           HB2      ASN  14  -1.970   3.090   2.523
  127    HB3  ASN  14           HB1      ASN  14  -3.130   4.201   3.244
  128   HD21  ASN  14          HD21      ASN  14  -3.151   0.718   3.636
  129   HD22  ASN  14          HD22      ASN  14  -2.758   0.717   5.317
  130    H    LYS  15           HN       LYS  15  -3.591   4.328   0.499
  131    HA   LYS  15           HA       LYS  15  -5.509   6.248   1.233
  132    HB2  LYS  15           HB2      LYS  15  -4.415   5.835  -1.549
  133    HB3  LYS  15           HB1      LYS  15  -5.007   7.335  -0.849
  134    HG2  LYS  15           HG2      LYS  15  -2.572   5.834   0.064
  135    HG3  LYS  15           HG1      LYS  15  -2.559   7.248  -0.994
  136    HD2  LYS  15           HD2      LYS  15  -3.730   8.511   0.836
  137    HD3  LYS  15           HD1      LYS  15  -3.465   7.112   1.880
  138    HE2  LYS  15           HE2      LYS  15  -1.731   8.729   2.284
  139    HE3  LYS  15           HE1      LYS  15  -1.031   7.329   1.475
  140    HZ1  LYS  15           HZ1      LYS  15  -1.146   8.562  -0.622
  141    HZ2  LYS  15           HZ2      LYS  15  -0.185   9.355   0.521
  142    HZ3  LYS  15           HZ3      LYS  15  -1.748   9.911   0.199
  143    H    VAL  16           HN       VAL  16  -5.560   3.695  -1.128
  144    HA   VAL  16           HA       VAL  16  -8.015   4.073  -2.312
  145    HB   VAL  16           HB       VAL  16  -6.532   2.452  -3.208
  146   HG11  VAL  16          HG11      VAL  16  -6.736   0.952  -0.597
  147   HG12  VAL  16          HG12      VAL  16  -5.361   1.940  -1.097
  148   HG13  VAL  16          HG13      VAL  16  -5.783   0.481  -2.004
  149   HG21  VAL  16          HG21      VAL  16  -8.918   1.071  -1.980
  150   HG22  VAL  16          HG22      VAL  16  -7.924   0.396  -3.273
  151   HG23  VAL  16          HG23      VAL  16  -8.848   1.873  -3.550
  152    HA   PRO  17           HA       PRO  17 -10.669   3.387   1.262
  153    HB2  PRO  17           HB2      PRO  17 -12.983   3.700  -0.207
  154    HB3  PRO  17           HB1      PRO  17 -12.097   5.018   0.558
  155    HG2  PRO  17           HG2      PRO  17 -12.108   4.137  -2.284
  156    HG3  PRO  17           HG1      PRO  17 -11.986   5.772  -1.613
  157    HD2  PRO  17           HD2      PRO  17  -9.850   4.411  -2.594
  158    HD3  PRO  17           HD1      PRO  17  -9.712   5.600  -1.290
  159    H    ILE  18           HN       ILE  18 -10.860   1.348   1.877
  160    HA   ILE  18           HA       ILE  18 -12.232  -0.537   0.096
  161    HB   ILE  18           HB       ILE  18 -10.795  -2.370   1.048
  162   HG12  ILE  18          HG12      ILE  18  -9.046  -0.055   1.910
  163   HG13  ILE  18          HG11      ILE  18  -9.951  -1.100   2.999
  164   HG21  ILE  18          HG21      ILE  18 -10.460  -1.537  -1.207
  165   HG22  ILE  18          HG22      ILE  18  -8.914  -1.951  -0.464
  166   HG23  ILE  18          HG23      ILE  18  -9.407  -0.262  -0.594
  167   HD11  ILE  18          HD11      ILE  18  -7.729  -1.976   1.168
  168   HD12  ILE  18          HD12      ILE  18  -8.623  -3.007   2.286
  169   HD13  ILE  18          HD13      ILE  18  -7.601  -1.712   2.908
  170    H    LYS  19           HN       LYS  19 -13.384   1.014   2.094
  171    HA   LYS  19           HA       LYS  19 -13.883  -0.878   4.279
  172    HB2  LYS  19           HB2      LYS  19 -14.636   2.040   3.982
  173    HB3  LYS  19           HB1      LYS  19 -15.034   1.042   5.373
  174    HG2  LYS  19           HG2      LYS  19 -12.730   0.798   5.950
  175    HG3  LYS  19           HG1      LYS  19 -12.218   1.568   4.449
  176    HD2  LYS  19           HD2      LYS  19 -12.009   3.141   6.263
  177    HD3  LYS  19           HD1      LYS  19 -13.315   3.658   5.198
  178    HE2  LYS  19           HE2      LYS  19 -14.960   2.771   6.739
  179    HE3  LYS  19           HE1      LYS  19 -13.683   2.144   7.780
  180    HZ1  LYS  19           HZ1      LYS  19 -14.155   5.011   7.175
  181    HZ2  LYS  19           HZ2      LYS  19 -12.948   4.402   8.190
  182    HZ3  LYS  19           HZ3      LYS  19 -14.574   4.230   8.614
  183    H    ARG  20           HN       ARG  20 -15.950   1.485   2.617
  184    HA   ARG  20           HA       ARG  20 -17.944  -0.638   2.243
  185    HB2  ARG  20           HB2      ARG  20 -19.548   1.201   1.810
  186    HB3  ARG  20           HB1      ARG  20 -18.837   1.280   3.417
  187    HG2  ARG  20           HG2      ARG  20 -17.303   3.013   2.653
  188    HG3  ARG  20           HG1      ARG  20 -18.010   2.935   1.041
  189    HD2  ARG  20           HD2      ARG  20 -18.913   4.808   2.306
  190    HD3  ARG  20           HD1      ARG  20 -20.165   3.620   1.952
  191    HE   ARG  20           HE       ARG  20 -18.910   3.292   4.527
  192   HH11  ARG  20          HH11      ARG  20 -21.447   4.899   2.748
  193   HH12  ARG  20          HH12      ARG  20 -22.470   5.106   4.132
  194   HH21  ARG  20          HH21      ARG  20 -20.249   3.563   6.366
  195   HH22  ARG  20          HH22      ARG  20 -21.789   4.338   6.193
  196    HA   PRO  21           HA       PRO  21 -16.846  -0.494  -2.073
  197    HB2  PRO  21           HB2      PRO  21 -18.685  -2.231  -2.998
  198    HB3  PRO  21           HB1      PRO  21 -17.296  -2.757  -2.041
  199    HG2  PRO  21           HG2      PRO  21 -20.134  -2.370  -1.208
  200    HG3  PRO  21           HG1      PRO  21 -18.983  -3.624  -0.723
  201    HD2  PRO  21           HD2      PRO  21 -19.613  -1.393   0.779
  202    HD3  PRO  21           HD1      PRO  21 -18.125  -2.338   0.952
  203    H    SER  22           HN       SER  22 -18.144   1.750  -1.306
  204    HA   SER  22           HA       SER  22 -20.411   2.024  -3.162
  205    HB2  SER  22           HB2      SER  22 -19.791   3.756  -0.760
  206    HB3  SER  22           HB1      SER  22 -21.265   3.761  -1.729
  207    HG   SER  22           HG       SER  22 -21.005   1.299  -0.948
  Start of MODEL   12
    1    H1   LEU   1           HT1      LEU   1   8.268  -8.152   2.757
    2    H2   LEU   1           HT2      LEU   1   8.560  -6.555   3.219
    3    H3   LEU   1           HT3      LEU   1   9.841  -7.544   2.738
    4    HA   LEU   1           HA       LEU   1   8.945  -7.686   0.513
    5    HB2  LEU   1           HB2      LEU   1   6.898  -5.742   1.590
    6    HB3  LEU   1           HB1      LEU   1   7.142  -6.072  -0.111
    7    HG   LEU   1           HG       LEU   1   6.626  -8.542   0.565
    8   HD11  LEU   1          HD11      LEU   1   5.033  -8.719   2.411
    9   HD12  LEU   1          HD12      LEU   1   5.318  -7.027   2.817
   10   HD13  LEU   1          HD13      LEU   1   6.621  -8.202   2.972
   11   HD21  LEU   1          HD21      LEU   1   4.508  -6.404   0.447
   12   HD22  LEU   1          HD22      LEU   1   4.238  -8.126   0.186
   13   HD23  LEU   1          HD23      LEU   1   5.257  -7.214  -0.927
   14    H    ARG   2           HN       ARG   2  11.154  -6.630   1.569
   15    HA   ARG   2           HA       ARG   2  12.777  -5.071   1.271
   16    HB2  ARG   2           HB2      ARG   2  11.698  -5.378  -1.129
   17    HB3  ARG   2           HB1      ARG   2  11.191  -3.718  -0.866
   18    HG2  ARG   2           HG2      ARG   2  13.248  -3.813  -2.138
   19    HG3  ARG   2           HG1      ARG   2  13.516  -3.045  -0.576
   20    HD2  ARG   2           HD2      ARG   2  15.332  -4.566  -1.110
   21    HD3  ARG   2           HD1      ARG   2  14.443  -5.132   0.297
   22    HE   ARG   2           HE       ARG   2  13.280  -6.459  -1.770
   23   HH11  ARG   2          HH11      ARG   2  16.590  -6.075  -0.696
   24   HH12  ARG   2          HH12      ARG   2  17.091  -7.642  -1.249
   25   HH21  ARG   2          HH21      ARG   2  13.925  -8.539  -2.481
   26   HH22  ARG   2          HH22      ARG   2  15.567  -9.050  -2.250
   27    H    LEU   3           HN       LEU   3  12.830  -2.367   0.730
   28    HA   LEU   3           HA       LEU   3  11.347  -1.311   2.990
   29    HB2  LEU   3           HB2      LEU   3  13.677  -0.721   2.881
   30    HB3  LEU   3           HB1      LEU   3  13.490  -0.111   1.247
   31    HG   LEU   3           HG       LEU   3  12.115   1.733   2.060
   32   HD11  LEU   3          HD11      LEU   3  12.607   0.581   4.800
   33   HD12  LEU   3          HD12      LEU   3  11.064   0.603   3.946
   34   HD13  LEU   3          HD13      LEU   3  11.820   2.117   4.447
   35   HD21  LEU   3          HD21      LEU   3  13.843   2.944   3.296
   36   HD22  LEU   3          HD22      LEU   3  14.528   2.040   1.945
   37   HD23  LEU   3          HD23      LEU   3  14.695   1.428   3.589
   38    H    ILE   4           HN       ILE   4  12.013  -0.070  -0.252
   39    HA   ILE   4           HA       ILE   4   9.939   1.812  -0.236
   40    HB   ILE   4           HB       ILE   4  11.519   0.589  -2.468
   41   HG12  ILE   4          HG12      ILE   4  12.711   2.034  -0.875
   42   HG13  ILE   4          HG11      ILE   4  12.638   2.754  -2.479
   43   HG21  ILE   4          HG21      ILE   4  10.658   2.394  -3.919
   44   HG22  ILE   4          HG22      ILE   4   9.489   2.803  -2.660
   45   HG23  ILE   4          HG23      ILE   4   9.423   1.225  -3.450
   46   HD11  ILE   4          HD11      ILE   4  10.961   3.499  -0.096
   47   HD12  ILE   4          HD12      ILE   4  10.767   4.174  -1.712
   48   HD13  ILE   4          HD13      ILE   4  12.262   4.444  -0.817
   49    H    HIS   5           HN       HIS   5  10.011  -1.540  -1.169
   50    HA   HIS   5           HA       HIS   5   7.486  -1.480  -2.538
   51    HB2  HIS   5           HB2      HIS   5   9.034  -3.854  -1.478
   52    HB3  HIS   5           HB1      HIS   5   7.689  -3.919  -2.612
   53    HD1  HIS   5           HD1      HIS   5   8.314  -3.896  -5.020
   54    HD2  HIS   5           HD2      HIS   5  11.324  -2.385  -2.589
   55    HE1  HIS   5           HE1      HIS   5  10.246  -3.406  -6.557
   56    HE2  HIS   5           HE2      HIS   5  12.126  -2.717  -5.028
   57    H    ALA   6           HN       ALA   6   8.544  -1.717   0.690
   58    HA   ALA   6           HA       ALA   6   6.050  -2.787   1.710
   59    HB1  ALA   6           HB1      ALA   6   7.086  -2.492   3.893
   60    HB2  ALA   6           HB2      ALA   6   8.423  -1.605   3.157
   61    HB3  ALA   6           HB3      ALA   6   8.200  -3.319   2.802
   62    H    VAL   7           HN       VAL   7   7.823   0.194   1.408
   63    HA   VAL   7           HA       VAL   7   6.084   1.916   2.751
   64    HB   VAL   7           HB       VAL   7   8.042   2.345   0.505
   65   HG11  VAL   7          HG11      VAL   7   7.797   4.801   1.026
   66   HG12  VAL   7          HG12      VAL   7   6.298   4.392   1.863
   67   HG13  VAL   7          HG13      VAL   7   6.464   4.068   0.132
   68   HG21  VAL   7          HG21      VAL   7   8.051   3.069   3.425
   69   HG22  VAL   7          HG22      VAL   7   9.313   3.495   2.267
   70   HG23  VAL   7          HG23      VAL   7   8.998   1.802   2.646
   71    H    ARG   8           HN       ARG   8   6.377   1.279  -0.736
   72    HA   ARG   8           HA       ARG   8   4.032   2.757  -1.347
   73    HB2  ARG   8           HB2      ARG   8   5.621   0.774  -2.968
   74    HB3  ARG   8           HB1      ARG   8   4.299   1.742  -3.613
   75    HG2  ARG   8           HG2      ARG   8   5.539   3.783  -2.940
   76    HG3  ARG   8           HG1      ARG   8   6.896   2.755  -2.469
   77    HD2  ARG   8           HD2      ARG   8   7.255   3.647  -4.698
   78    HD3  ARG   8           HD1      ARG   8   7.009   1.903  -4.781
   79    HE   ARG   8           HE       ARG   8   4.946   2.248  -5.816
   80   HH11  ARG   8          HH11      ARG   8   6.472   5.290  -4.983
   81   HH12  ARG   8          HH12      ARG   8   5.437   6.233  -6.005
   82   HH21  ARG   8          HH21      ARG   8   3.574   3.506  -7.165
   83   HH22  ARG   8          HH22      ARG   8   3.804   5.226  -7.250
   84    H    GLY   9           HN       GLY   9   4.694  -0.622  -0.700
   85    HA2  GLY   9           HA2      GLY   9   2.040  -1.507  -1.277
   86    HA3  GLY   9           HA1      GLY   9   3.240  -2.381  -0.328
   87    H    TYR  10           HN       TYR  10   3.246   0.482   1.087
   88    HA   TYR  10           HA       TYR  10   1.222  -0.191   3.050
   89    HB2  TYR  10           HB2      TYR  10   3.131   0.428   4.183
   90    HB3  TYR  10           HB1      TYR  10   3.628   1.554   2.935
   91    HD1  TYR  10           HD1      TYR  10   0.791   1.247   5.379
   92    HD2  TYR  10           HD2      TYR  10   3.709   3.716   3.530
   93    HE1  TYR  10           HE1      TYR  10   0.057   3.138   6.768
   94    HE2  TYR  10           HE2      TYR  10   2.989   5.620   4.907
   95    HH   TYR  10           HH       TYR  10   1.013   6.350   6.150
   96    H    TRP  11           HN       TRP  11   2.161   2.784   1.238
   97    HA   TRP  11           HA       TRP  11  -0.369   3.919   1.999
   98    HB2  TRP  11           HB2      TRP  11   0.377   5.978   0.934
   99    HB3  TRP  11           HB1      TRP  11   1.559   5.360   2.073
  100    HD1  TRP  11           HD1      TRP  11   3.847   4.318   0.966
  101    HE1  TRP  11           HE1      TRP  11   5.049   4.970  -1.221
  102    HE3  TRP  11           HE3      TRP  11  -0.000   6.697  -1.379
  103    HZ2  TRP  11           HZ2      TRP  11   4.437   6.322  -3.621
  104    HZ3  TRP  11           HZ3      TRP  11   0.384   7.659  -3.614
  105    HH2  TRP  11           HH2      TRP  11   2.558   7.471  -4.712
  106    H    LEU  12           HN       LEU  12   0.833   2.391  -0.908
  107    HA   LEU  12           HA       LEU  12  -1.202   3.556  -2.594
  108    HB2  LEU  12           HB2      LEU  12   0.603   1.170  -3.006
  109    HB3  LEU  12           HB1      LEU  12  -0.518   1.774  -4.211
  110    HG   LEU  12           HG       LEU  12   1.801   3.337  -3.077
  111   HD11  LEU  12          HD11      LEU  12   1.470   2.003  -5.764
  112   HD12  LEU  12          HD12      LEU  12   2.500   1.421  -4.458
  113   HD13  LEU  12          HD13      LEU  12   2.851   2.965  -5.236
  114   HD21  LEU  12          HD21      LEU  12   1.299   4.870  -4.933
  115   HD22  LEU  12          HD22      LEU  12  -0.022   4.755  -3.770
  116   HD23  LEU  12          HD23      LEU  12  -0.131   3.911  -5.316
  117    H    THR  13           HN       THR  13  -0.635   0.675  -0.786
  118    HA   THR  13           HA       THR  13  -2.987  -0.707  -1.515
  119    HB   THR  13           HB       THR  13  -0.860  -0.984   0.593
  120    HG1  THR  13           HG1      THR  13  -0.753  -3.051  -0.845
  121   HG21  THR  13          HG21      THR  13  -2.906  -1.864   1.525
  122   HG22  THR  13          HG22      THR  13  -1.756  -3.148   1.168
  123   HG23  THR  13          HG23      THR  13  -3.135  -2.876   0.103
  124    H    ASN  14           HN       ASN  14  -2.390   1.959   0.458
  125    HA   ASN  14           HA       ASN  14  -4.719   1.443   2.155
  126    HB2  ASN  14           HB2      ASN  14  -2.355   3.202   2.357
  127    HB3  ASN  14           HB1      ASN  14  -3.858   3.822   3.015
  128   HD21  ASN  14          HD21      ASN  14  -1.416   3.071   4.387
  129   HD22  ASN  14          HD22      ASN  14  -1.853   1.842   5.521
  130    H    LYS  15           HN       LYS  15  -3.425   4.001   0.021
  131    HA   LYS  15           HA       LYS  15  -5.660   5.683   0.187
  132    HB2  LYS  15           HB2      LYS  15  -4.770   6.782  -1.828
  133    HB3  LYS  15           HB1      LYS  15  -3.540   6.511  -0.610
  134    HG2  LYS  15           HG2      LYS  15  -2.433   5.939  -2.531
  135    HG3  LYS  15           HG1      LYS  15  -3.022   4.370  -1.983
  136    HD2  LYS  15           HD2      LYS  15  -4.961   4.621  -3.500
  137    HD3  LYS  15           HD1      LYS  15  -4.255   6.123  -4.103
  138    HE2  LYS  15           HE2      LYS  15  -2.246   4.859  -4.793
  139    HE3  LYS  15           HE1      LYS  15  -3.030   3.371  -4.268
  140    HZ1  LYS  15           HZ1      LYS  15  -4.780   3.794  -5.899
  141    HZ2  LYS  15           HZ2      LYS  15  -3.265   3.658  -6.631
  142    HZ3  LYS  15           HZ3      LYS  15  -3.967   5.180  -6.424
  143    H    VAL  16           HN       VAL  16  -5.094   2.866  -1.670
  144    HA   VAL  16           HA       VAL  16  -7.101   3.125  -3.602
  145    HB   VAL  16           HB       VAL  16  -5.438   1.409  -3.841
  146   HG11  VAL  16          HG11      VAL  16  -5.218  -0.469  -2.346
  147   HG12  VAL  16          HG12      VAL  16  -6.575   0.098  -1.375
  148   HG13  VAL  16          HG13      VAL  16  -5.072   1.026  -1.413
  149   HG21  VAL  16          HG21      VAL  16  -7.605   0.934  -4.839
  150   HG22  VAL  16          HG22      VAL  16  -8.147   0.178  -3.342
  151   HG23  VAL  16          HG23      VAL  16  -6.844  -0.555  -4.278
  152    HA   PRO  17           HA       PRO  17 -10.596   2.707  -0.796
  153    HB2  PRO  17           HB2      PRO  17 -12.476   3.219  -2.697
  154    HB3  PRO  17           HB1      PRO  17 -11.580   4.492  -1.860
  155    HG2  PRO  17           HG2      PRO  17 -11.142   3.338  -4.580
  156    HG3  PRO  17           HG1      PRO  17 -11.025   5.024  -4.043
  157    HD2  PRO  17           HD2      PRO  17  -8.848   3.424  -4.417
  158    HD3  PRO  17           HD1      PRO  17  -8.889   4.747  -3.242
  159    H    ILE  18           HN       ILE  18 -11.077   0.697  -0.286
  160    HA   ILE  18           HA       ILE  18 -11.435  -1.308  -2.377
  161    HB   ILE  18           HB       ILE  18 -11.464  -2.939  -0.466
  162   HG12  ILE  18          HG12      ILE  18 -10.628  -0.517   1.148
  163   HG13  ILE  18          HG11      ILE  18 -12.185  -1.327   1.278
  164   HG21  ILE  18          HG21      ILE  18  -9.049  -2.810  -0.065
  165   HG22  ILE  18          HG22      ILE  18  -9.035  -1.170  -0.713
  166   HG23  ILE  18          HG23      ILE  18  -9.448  -2.529  -1.760
  167   HD11  ILE  18          HD11      ILE  18 -10.713  -1.983   3.080
  168   HD12  ILE  18          HD12      ILE  18  -9.500  -2.523   1.919
  169   HD13  ILE  18          HD13      ILE  18 -11.050  -3.358   2.031
  170    H    LYS  19           HN       LYS  19 -13.367   0.670  -2.065
  171    HA   LYS  19           HA       LYS  19 -15.665  -0.818  -0.988
  172    HB2  LYS  19           HB2      LYS  19 -15.487   2.137  -1.605
  173    HB3  LYS  19           HB1      LYS  19 -16.806   1.307  -0.793
  174    HG2  LYS  19           HG2      LYS  19 -15.267   0.738   1.052
  175    HG3  LYS  19           HG1      LYS  19 -14.004   1.666   0.246
  176    HD2  LYS  19           HD2      LYS  19 -14.965   3.058   1.931
  177    HD3  LYS  19           HD1      LYS  19 -15.514   3.660   0.368
  178    HE2  LYS  19           HE2      LYS  19 -17.351   3.631   1.954
  179    HE3  LYS  19           HE1      LYS  19 -17.638   2.465   0.666
  180    HZ1  LYS  19           HZ1      LYS  19 -18.195   1.461   2.733
  181    HZ2  LYS  19           HZ2      LYS  19 -16.715   1.887   3.425
  182    HZ3  LYS  19           HZ3      LYS  19 -16.768   0.733   2.193
  183    H    ARG  20           HN       ARG  20 -14.142   0.294  -3.787
  184    HA   ARG  20           HA       ARG  20 -16.570   0.196  -5.403
  185    HB2  ARG  20           HB2      ARG  20 -15.051   1.017  -7.230
  186    HB3  ARG  20           HB1      ARG  20 -15.236   2.111  -5.869
  187    HG2  ARG  20           HG2      ARG  20 -13.075   1.315  -4.977
  188    HG3  ARG  20           HG1      ARG  20 -12.888   0.305  -6.413
  189    HD2  ARG  20           HD2      ARG  20 -11.654   2.406  -6.624
  190    HD3  ARG  20           HD1      ARG  20 -12.938   2.285  -7.827
  191    HE   ARG  20           HE       ARG  20 -13.993   3.628  -5.636
  192   HH11  ARG  20          HH11      ARG  20 -11.444   4.127  -7.975
  193   HH12  ARG  20          HH12      ARG  20 -11.608   5.855  -7.970
  194   HH21  ARG  20          HH21      ARG  20 -14.223   5.891  -5.633
  195   HH22  ARG  20          HH22      ARG  20 -13.193   6.859  -6.636
  196    HA   PRO  21           HA       PRO  21 -15.167  -3.935  -6.557
  197    HB2  PRO  21           HB2      PRO  21 -17.690  -4.578  -7.612
  198    HB3  PRO  21           HB1      PRO  21 -17.103  -4.963  -5.998
  199    HG2  PRO  21           HG2      PRO  21 -19.181  -3.174  -6.682
  200    HG3  PRO  21           HG1      PRO  21 -18.471  -3.428  -5.083
  201    HD2  PRO  21           HD2      PRO  21 -18.006  -1.260  -7.029
  202    HD3  PRO  21           HD1      PRO  21 -17.802  -1.270  -5.267
  203    H    SER  22           HN       SER  22 -14.428  -1.856  -8.198
  204    HA   SER  22           HA       SER  22 -13.951  -1.238 -10.321
  205    HB2  SER  22           HB2      SER  22 -14.710  -4.098 -10.962
  206    HB3  SER  22           HB1      SER  22 -13.785  -3.019 -12.006
  207    HG   SER  22           HG       SER  22 -12.218  -4.061 -10.973
  Start of MODEL   13
    1    H1   LEU   1           HT1      LEU   1   9.124  -8.071   4.226
    2    H2   LEU   1           HT2      LEU   1   9.108  -6.906   3.009
    3    H3   LEU   1           HT3      LEU   1  10.038  -6.661   4.397
    4    HA   LEU   1           HA       LEU   1  11.425  -8.524   3.843
    5    HB2  LEU   1           HB2      LEU   1  11.204  -9.427   1.480
    6    HB3  LEU   1           HB1      LEU   1  10.031  -9.971   2.659
    7    HG   LEU   1           HG       LEU   1   8.501  -8.131   1.686
    8   HD11  LEU   1          HD11      LEU   1   8.913  -7.594  -0.657
    9   HD12  LEU   1          HD12      LEU   1  10.472  -8.413  -0.574
   10   HD13  LEU   1          HD13      LEU   1  10.187  -6.960   0.385
   11   HD21  LEU   1          HD21      LEU   1   7.731  -9.652  -0.075
   12   HD22  LEU   1          HD22      LEU   1   8.092 -10.506   1.424
   13   HD23  LEU   1          HD23      LEU   1   9.226 -10.573   0.076
   14    H    ARG   2           HN       ARG   2  10.342  -5.617   2.401
   15    HA   ARG   2           HA       ARG   2  13.103  -4.883   1.907
   16    HB2  ARG   2           HB2      ARG   2  11.944  -5.845  -0.271
   17    HB3  ARG   2           HB1      ARG   2  11.173  -4.263  -0.293
   18    HG2  ARG   2           HG2      ARG   2  13.111  -4.239  -1.718
   19    HG3  ARG   2           HG1      ARG   2  13.390  -3.204  -0.317
   20    HD2  ARG   2           HD2      ARG   2  14.631  -5.078   0.750
   21    HD3  ARG   2           HD1      ARG   2  14.447  -5.996  -0.743
   22    HE   ARG   2           HE       ARG   2  15.600  -3.698  -1.579
   23   HH11  ARG   2          HH11      ARG   2  16.431  -6.017   0.917
   24   HH12  ARG   2          HH12      ARG   2  18.129  -5.675   0.837
   25   HH21  ARG   2          HH21      ARG   2  17.834  -3.261  -1.684
   26   HH22  ARG   2          HH22      ARG   2  18.929  -4.115  -0.642
   27    H    LEU   3           HN       LEU   3  13.138  -2.413   1.305
   28    HA   LEU   3           HA       LEU   3  11.394  -1.197   3.245
   29    HB2  LEU   3           HB2      LEU   3  13.712  -0.542   3.253
   30    HB3  LEU   3           HB1      LEU   3  13.615  -0.044   1.575
   31    HG   LEU   3           HG       LEU   3  12.123   1.788   2.172
   32   HD11  LEU   3          HD11      LEU   3  12.450   0.814   5.005
   33   HD12  LEU   3          HD12      LEU   3  10.972   0.739   4.040
   34   HD13  LEU   3          HD13      LEU   3  11.645   2.302   4.509
   35   HD21  LEU   3          HD21      LEU   3  13.707   3.151   3.419
   36   HD22  LEU   3          HD22      LEU   3  14.539   2.163   2.218
   37   HD23  LEU   3          HD23      LEU   3  14.577   1.701   3.919
   38    H    ILE   4           HN       ILE   4  12.248  -0.171  -0.035
   39    HA   ILE   4           HA       ILE   4  10.208   1.722  -0.222
   40    HB   ILE   4           HB       ILE   4  11.829   0.350  -2.336
   41   HG12  ILE   4          HG12      ILE   4  13.025   1.786  -0.738
   42   HG13  ILE   4          HG11      ILE   4  13.050   2.463  -2.363
   43   HG21  ILE   4          HG21      ILE   4   9.777   1.065  -3.392
   44   HG22  ILE   4          HG22      ILE   4  11.102   2.122  -3.880
   45   HG23  ILE   4          HG23      ILE   4   9.937   2.668  -2.673
   46   HD11  ILE   4          HD11      ILE   4  11.221   3.988  -1.709
   47   HD12  ILE   4          HD12      ILE   4  12.689   4.210  -0.761
   48   HD13  ILE   4          HD13      ILE   4  11.319   3.347  -0.068
   49    H    HIS   5           HN       HIS   5  10.210  -1.678  -1.012
   50    HA   HIS   5           HA       HIS   5   7.759  -1.559  -2.511
   51    HB2  HIS   5           HB2      HIS   5   9.194  -3.968  -1.370
   52    HB3  HIS   5           HB1      HIS   5   7.884  -4.010  -2.547
   53    HD1  HIS   5           HD1      HIS   5   8.586  -3.992  -4.946
   54    HD2  HIS   5           HD2      HIS   5  11.551  -2.575  -2.407
   55    HE1  HIS   5           HE1      HIS   5  10.586  -3.574  -6.411
   56    HE2  HIS   5           HE2      HIS   5  12.323  -2.592  -4.879
   57    H    ALA   6           HN       ALA   6   8.651  -1.766   0.762
   58    HA   ALA   6           HA       ALA   6   6.097  -2.784   1.676
   59    HB1  ALA   6           HB1      ALA   6   8.204  -3.288   2.885
   60    HB2  ALA   6           HB2      ALA   6   7.014  -2.471   3.901
   61    HB3  ALA   6           HB3      ALA   6   8.380  -1.567   3.238
   62    H    VAL   7           HN       VAL   7   7.915   0.167   1.396
   63    HA   VAL   7           HA       VAL   7   6.164   1.955   2.619
   64    HB   VAL   7           HB       VAL   7   8.195   2.280   0.423
   65   HG11  VAL   7          HG11      VAL   7   6.464   4.414   1.657
   66   HG12  VAL   7          HG12      VAL   7   6.653   4.018  -0.058
   67   HG13  VAL   7          HG13      VAL   7   7.987   4.755   0.834
   68   HG21  VAL   7          HG21      VAL   7   8.121   3.052   3.328
   69   HG22  VAL   7          HG22      VAL   7   9.415   3.488   2.209
   70   HG23  VAL   7          HG23      VAL   7   9.102   1.791   2.581
   71    H    ARG   8           HN       ARG   8   6.577   1.325  -0.852
   72    HA   ARG   8           HA       ARG   8   4.360   2.880  -1.605
   73    HB2  ARG   8           HB2      ARG   8   5.819   0.681  -3.061
   74    HB3  ARG   8           HB1      ARG   8   4.621   1.739  -3.807
   75    HG2  ARG   8           HG2      ARG   8   6.016   3.681  -3.259
   76    HG3  ARG   8           HG1      ARG   8   7.219   2.605  -2.549
   77    HD2  ARG   8           HD2      ARG   8   7.883   3.214  -4.795
   78    HD3  ARG   8           HD1      ARG   8   7.491   1.500  -4.729
   79    HE   ARG   8           HE       ARG   8   5.192   2.851  -5.527
   80   HH11  ARG   8          HH11      ARG   8   8.429   2.284  -6.718
   81   HH12  ARG   8          HH12      ARG   8   7.966   2.351  -8.387
   82   HH21  ARG   8          HH21      ARG   8   4.580   2.974  -7.738
   83   HH22  ARG   8          HH22      ARG   8   5.785   2.762  -8.968
   84    H    GLY   9           HN       GLY   9   4.720  -0.565  -0.967
   85    HA2  GLY   9           HA2      GLY   9   2.044  -1.250  -1.654
   86    HA3  GLY   9           HA1      GLY   9   3.145  -2.221  -0.685
   87    H    TYR  10           HN       TYR  10   3.327   0.471   0.939
   88    HA   TYR  10           HA       TYR  10   1.336  -0.282   2.878
   89    HB2  TYR  10           HB2      TYR  10   3.223   0.358   4.012
   90    HB3  TYR  10           HB1      TYR  10   3.709   1.491   2.768
   91    HD1  TYR  10           HD1      TYR  10   3.702   3.692   3.270
   92    HD2  TYR  10           HD2      TYR  10   1.031   1.144   5.378
   93    HE1  TYR  10           HE1      TYR  10   3.013   5.589   4.669
   94    HE2  TYR  10           HE2      TYR  10   0.329   3.038   6.784
   95    HH   TYR  10           HH       TYR  10   1.162   5.188   7.513
   96    H    TRP  11           HN       TRP  11   2.077   2.750   1.086
   97    HA   TRP  11           HA       TRP  11  -0.439   3.805   2.002
   98    HB2  TRP  11           HB2      TRP  11   0.155   5.859   0.759
   99    HB3  TRP  11           HB1      TRP  11   1.361   5.365   1.933
  100    HD1  TRP  11           HD1      TRP  11   3.637   4.200   0.848
  101    HE1  TRP  11           HE1      TRP  11   4.847   4.789  -1.348
  102    HE3  TRP  11           HE3      TRP  11  -0.165   6.638  -1.545
  103    HZ2  TRP  11           HZ2      TRP  11   4.264   6.100  -3.766
  104    HZ3  TRP  11           HZ3      TRP  11   0.245   7.536  -3.798
  105    HH2  TRP  11           HH2      TRP  11   2.416   7.273  -4.884
  106    H    LEU  12           HN       LEU  12   0.770   2.539  -1.068
  107    HA   LEU  12           HA       LEU  12  -1.384   3.421  -2.655
  108    HB2  LEU  12           HB2      LEU  12   0.393   1.005  -2.952
  109    HB3  LEU  12           HB1      LEU  12  -0.754   1.531  -4.168
  110    HG   LEU  12           HG       LEU  12   1.547   3.201  -3.169
  111   HD11  LEU  12          HD11      LEU  12   2.368   1.243  -4.363
  112   HD12  LEU  12          HD12      LEU  12   2.596   2.701  -5.328
  113   HD13  LEU  12          HD13      LEU  12   1.281   1.590  -5.706
  114   HD21  LEU  12          HD21      LEU  12  -0.355   3.557  -5.483
  115   HD22  LEU  12          HD22      LEU  12   1.039   4.579  -5.137
  116   HD23  LEU  12          HD23      LEU  12  -0.310   4.518  -4.006
  117    H    THR  13           HN       THR  13  -1.064   0.742  -0.468
  118    HA   THR  13           HA       THR  13  -3.504  -0.532  -1.388
  119    HB   THR  13           HB       THR  13  -1.314  -1.602  -0.319
  120    HG1  THR  13           HG1      THR  13  -2.673  -3.138  -0.905
  121   HG21  THR  13          HG21      THR  13  -3.111  -1.148   2.056
  122   HG22  THR  13          HG22      THR  13  -1.468  -0.541   1.840
  123   HG23  THR  13          HG23      THR  13  -1.752  -2.272   2.022
  124    H    ASN  14           HN       ASN  14  -2.723   2.006   0.613
  125    HA   ASN  14           HA       ASN  14  -4.968   1.539   2.432
  126    HB2  ASN  14           HB2      ASN  14  -2.391   2.898   2.652
  127    HB3  ASN  14           HB1      ASN  14  -3.740   3.765   3.387
  128   HD21  ASN  14          HD21      ASN  14  -1.664   1.032   3.549
  129   HD22  ASN  14          HD22      ASN  14  -2.234   0.409   5.062
  130    H    LYS  15           HN       LYS  15  -3.673   4.012   0.230
  131    HA   LYS  15           HA       LYS  15  -5.591   6.007   0.711
  132    HB2  LYS  15           HB2      LYS  15  -4.256   5.444  -1.940
  133    HB3  LYS  15           HB1      LYS  15  -4.919   6.977  -1.396
  134    HG2  LYS  15           HG2      LYS  15  -2.566   5.556  -0.187
  135    HG3  LYS  15           HG1      LYS  15  -2.480   6.935  -1.290
  136    HD2  LYS  15           HD2      LYS  15  -3.737   8.289   0.348
  137    HD3  LYS  15           HD1      LYS  15  -3.742   6.915   1.455
  138    HE2  LYS  15           HE2      LYS  15  -1.285   6.954   1.484
  139    HE3  LYS  15           HE1      LYS  15  -1.304   8.354   0.413
  140    HZ1  LYS  15           HZ1      LYS  15  -1.014   8.971   2.744
  141    HZ2  LYS  15           HZ2      LYS  15  -2.502   8.265   3.130
  142    HZ3  LYS  15           HZ3      LYS  15  -2.442   9.611   2.112
  143    H    VAL  16           HN       VAL  16  -5.561   3.290  -1.439
  144    HA   VAL  16           HA       VAL  16  -7.866   3.696  -2.903
  145    HB   VAL  16           HB       VAL  16  -6.458   1.942  -3.573
  146   HG11  VAL  16          HG11      VAL  16  -5.773   0.095  -2.153
  147   HG12  VAL  16          HG12      VAL  16  -6.766   0.714  -0.833
  148   HG13  VAL  16          HG13      VAL  16  -5.362   1.634  -1.382
  149   HG21  VAL  16          HG21      VAL  16  -8.800   1.374  -3.889
  150   HG22  VAL  16          HG22      VAL  16  -8.869   0.665  -2.275
  151   HG23  VAL  16          HG23      VAL  16  -7.866  -0.078  -3.524
  152    HA   PRO  17           HA       PRO  17 -10.855   3.436   0.467
  153    HB2  PRO  17           HB2      PRO  17 -12.999   4.034  -1.114
  154    HB3  PRO  17           HB1      PRO  17 -11.924   5.257  -0.425
  155    HG2  PRO  17           HG2      PRO  17 -11.959   4.096  -3.178
  156    HG3  PRO  17           HG1      PRO  17 -11.704   5.775  -2.670
  157    HD2  PRO  17           HD2      PRO  17  -9.664   4.146  -3.375
  158    HD3  PRO  17           HD1      PRO  17  -9.487   5.416  -2.152
  159    H    ILE  18           HN       ILE  18 -11.404   1.493   1.102
  160    HA   ILE  18           HA       ILE  18 -12.110  -0.561  -0.823
  161    HB   ILE  18           HB       ILE  18 -12.136  -2.081   1.163
  162   HG12  ILE  18          HG12      ILE  18 -11.112   0.369   2.620
  163   HG13  ILE  18          HG11      ILE  18 -12.690  -0.371   2.865
  164   HG21  ILE  18          HG21      ILE  18  -9.702  -2.068   1.468
  165   HG22  ILE  18          HG22      ILE  18  -9.626  -0.465   0.736
  166   HG23  ILE  18          HG23      ILE  18 -10.155  -1.848  -0.222
  167   HD11  ILE  18          HD11      ILE  18 -11.598  -2.410   3.657
  168   HD12  ILE  18          HD12      ILE  18 -11.150  -1.002   4.621
  169   HD13  ILE  18          HD13      ILE  18 -10.025  -1.648   3.427
  170    H    LYS  19           HN       LYS  19 -13.965   1.396  -0.820
  171    HA   LYS  19           HA       LYS  19 -16.202   0.417   0.813
  172    HB2  LYS  19           HB2      LYS  19 -15.818   3.020  -0.661
  173    HB3  LYS  19           HB1      LYS  19 -17.282   2.565   0.192
  174    HG2  LYS  19           HG2      LYS  19 -15.959   2.396   2.279
  175    HG3  LYS  19           HG1      LYS  19 -14.556   2.987   1.390
  176    HD2  LYS  19           HD2      LYS  19 -15.607   4.808   2.597
  177    HD3  LYS  19           HD1      LYS  19 -15.787   5.048   0.858
  178    HE2  LYS  19           HE2      LYS  19 -17.851   5.557   2.099
  179    HE3  LYS  19           HE1      LYS  19 -18.068   4.243   0.945
  180    HZ1  LYS  19           HZ1      LYS  19 -19.107   3.826   3.122
  181    HZ2  LYS  19           HZ2      LYS  19 -17.581   3.863   3.850
  182    HZ3  LYS  19           HZ3      LYS  19 -17.951   2.657   2.722
  183    H    ARG  20           HN       ARG  20 -14.934  -0.062  -2.109
  184    HA   ARG  20           HA       ARG  20 -17.408  -0.094  -3.633
  185    HB2  ARG  20           HB2      ARG  20 -14.648  -1.003  -4.459
  186    HB3  ARG  20           HB1      ARG  20 -16.002  -0.670  -5.511
  187    HG2  ARG  20           HG2      ARG  20 -14.504   1.349  -3.868
  188    HG3  ARG  20           HG1      ARG  20 -14.393   1.127  -5.614
  189    HD2  ARG  20           HD2      ARG  20 -16.775   1.706  -5.817
  190    HD3  ARG  20           HD1      ARG  20 -16.848   1.969  -4.076
  191    HE   ARG  20           HE       ARG  20 -14.815   3.531  -5.340
  192   HH11  ARG  20          HH11      ARG  20 -18.238   3.402  -4.623
  193   HH12  ARG  20          HH12      ARG  20 -18.449   5.121  -4.736
  194   HH21  ARG  20          HH21      ARG  20 -15.091   5.785  -5.484
  195   HH22  ARG  20          HH22      ARG  20 -16.662   6.476  -5.217
  196    HA   PRO  21           HA       PRO  21 -17.944  -4.457  -3.027
  197    HB2  PRO  21           HB2      PRO  21 -19.122  -5.259  -5.311
  198    HB3  PRO  21           HB1      PRO  21 -19.915  -4.161  -4.180
  199    HG2  PRO  21           HG2      PRO  21 -18.697  -3.596  -6.813
  200    HG3  PRO  21           HG1      PRO  21 -20.009  -2.755  -5.974
  201    HD2  PRO  21           HD2      PRO  21 -17.279  -1.988  -6.119
  202    HD3  PRO  21           HD1      PRO  21 -18.552  -1.230  -5.150
  203    H    SER  22           HN       SER  22 -15.301  -3.775  -3.948
  204    HA   SER  22           HA       SER  22 -14.538  -6.329  -5.114
  205    HB2  SER  22           HB2      SER  22 -12.978  -5.130  -6.700
  206    HB3  SER  22           HB1      SER  22 -14.690  -4.944  -7.082
  207    HG   SER  22           HG       SER  22 -13.199  -3.073  -5.555
  Start of MODEL   14
    1    H1   LEU   1           HT1      LEU   1  13.190  -8.223   3.406
    2    H2   LEU   1           HT2      LEU   1  11.885  -8.662   4.384
    3    H3   LEU   1           HT3      LEU   1  12.768  -7.261   4.729
    4    HA   LEU   1           HA       LEU   1  11.194  -7.699   2.270
    5    HB2  LEU   1           HB2      LEU   1   9.580  -6.118   3.168
    6    HB3  LEU   1           HB1      LEU   1   9.722  -7.512   4.218
    7    HG   LEU   1           HG       LEU   1  11.297  -5.044   4.854
    8   HD11  LEU   1          HD11      LEU   1   8.379  -5.476   5.482
    9   HD12  LEU   1          HD12      LEU   1   9.053  -4.210   4.454
   10   HD13  LEU   1          HD13      LEU   1   9.400  -4.220   6.183
   11   HD21  LEU   1          HD21      LEU   1   9.950  -7.139   6.556
   12   HD22  LEU   1          HD22      LEU   1  10.975  -5.826   7.134
   13   HD23  LEU   1          HD23      LEU   1  11.662  -7.106   6.136
   14    H    ARG   2           HN       ARG   2  11.285  -6.034   0.795
   15    HA   ARG   2           HA       ARG   2  13.541  -4.244   1.098
   16    HB2  ARG   2           HB2      ARG   2  12.833  -5.505  -1.035
   17    HB3  ARG   2           HB1      ARG   2  11.622  -4.245  -1.199
   18    HG2  ARG   2           HG2      ARG   2  13.629  -3.825  -2.548
   19    HG3  ARG   2           HG1      ARG   2  13.335  -2.561  -1.359
   20    HD2  ARG   2           HD2      ARG   2  15.707  -3.160  -1.477
   21    HD3  ARG   2           HD1      ARG   2  15.028  -3.536   0.105
   22    HE   ARG   2           HE       ARG   2  15.278  -5.634  -1.946
   23   HH11  ARG   2          HH11      ARG   2  16.088  -4.377   1.225
   24   HH12  ARG   2          HH12      ARG   2  16.838  -5.847   1.751
   25   HH21  ARG   2          HH21      ARG   2  16.271  -7.558  -1.253
   26   HH22  ARG   2          HH22      ARG   2  16.955  -7.656   0.339
   27    H    LEU   3           HN       LEU   3  13.394  -2.285   1.814
   28    HA   LEU   3           HA       LEU   3  11.252  -1.359   3.200
   29    HB2  LEU   3           HB2      LEU   3  13.408  -0.464   3.615
   30    HB3  LEU   3           HB1      LEU   3  13.542   0.136   1.973
   31    HG   LEU   3           HG       LEU   3  11.822   1.818   2.435
   32   HD11  LEU   3          HD11      LEU   3  10.533   0.597   4.088
   33   HD12  LEU   3          HD12      LEU   3  11.027   2.170   4.714
   34   HD13  LEU   3          HD13      LEU   3  11.869   0.710   5.234
   35   HD21  LEU   3          HD21      LEU   3  14.175   2.362   2.807
   36   HD22  LEU   3          HD22      LEU   3  14.041   1.803   4.474
   37   HD23  LEU   3          HD23      LEU   3  13.128   3.213   3.941
   38    H    ILE   4           HN       ILE   4  12.261  -0.025   0.094
   39    HA   ILE   4           HA       ILE   4  10.206   1.842  -0.128
   40    HB   ILE   4           HB       ILE   4  11.958   0.538  -2.172
   41   HG12  ILE   4          HG12      ILE   4  12.980   1.998  -0.458
   42   HG13  ILE   4          HG11      ILE   4  13.157   2.642  -2.088
   43   HG21  ILE   4          HG21      ILE   4   9.967   2.752  -2.599
   44   HG22  ILE   4          HG22      ILE   4  10.008   1.176  -3.395
   45   HG23  ILE   4          HG23      ILE   4  11.272   2.363  -3.719
   46   HD11  ILE   4          HD11      ILE   4  11.225   3.555   0.025
   47   HD12  ILE   4          HD12      ILE   4  11.243   4.147  -1.634
   48   HD13  ILE   4          HD13      ILE   4  12.632   4.425  -0.586
   49    H    HIS   5           HN       HIS   5  10.255  -1.541  -0.929
   50    HA   HIS   5           HA       HIS   5   7.920  -1.392  -2.634
   51    HB2  HIS   5           HB2      HIS   5   9.326  -3.828  -1.507
   52    HB3  HIS   5           HB1      HIS   5   8.113  -3.829  -2.785
   53    HD1  HIS   5           HD1      HIS   5   9.213  -4.156  -4.995
   54    HD2  HIS   5           HD2      HIS   5  11.533  -1.893  -2.402
   55    HE1  HIS   5           HE1      HIS   5  11.267  -3.508  -6.296
   56    HE2  HIS   5           HE2      HIS   5  12.557  -1.995  -4.773
   57    H    ALA   6           HN       ALA   6   8.619  -1.723   0.669
   58    HA   ALA   6           HA       ALA   6   6.010  -2.799   1.341
   59    HB1  ALA   6           HB1      ALA   6   6.797  -2.712   3.639
   60    HB2  ALA   6           HB2      ALA   6   8.221  -1.800   3.135
   61    HB3  ALA   6           HB3      ALA   6   8.022  -3.476   2.622
   62    H    VAL   7           HN       VAL   7   7.882   0.145   1.480
   63    HA   VAL   7           HA       VAL   7   6.081   1.882   2.657
   64    HB   VAL   7           HB       VAL   7   8.121   2.253   0.477
   65   HG11  VAL   7          HG11      VAL   7   6.284   4.355   1.605
   66   HG12  VAL   7          HG12      VAL   7   6.541   3.926  -0.094
   67   HG13  VAL   7          HG13      VAL   7   7.819   4.733   0.822
   68   HG21  VAL   7          HG21      VAL   7   9.283   3.522   2.232
   69   HG22  VAL   7          HG22      VAL   7   8.968   1.847   2.685
   70   HG23  VAL   7          HG23      VAL   7   7.967   3.141   3.345
   71    H    ARG   8           HN       ARG   8   6.507   1.156  -0.762
   72    HA   ARG   8           HA       ARG   8   4.322   2.674  -1.646
   73    HB2  ARG   8           HB2      ARG   8   5.887   0.426  -2.876
   74    HB3  ARG   8           HB1      ARG   8   4.662   1.343  -3.763
   75    HG2  ARG   8           HG2      ARG   8   5.936   3.418  -3.264
   76    HG3  ARG   8           HG1      ARG   8   7.188   2.426  -2.518
   77    HD2  ARG   8           HD2      ARG   8   7.440   1.231  -4.693
   78    HD3  ARG   8           HD1      ARG   8   6.304   2.378  -5.402
   79    HE   ARG   8           HE       ARG   8   8.453   3.725  -4.125
   80   HH11  ARG   8          HH11      ARG   8   7.599   1.980  -7.044
   81   HH12  ARG   8          HH12      ARG   8   8.850   2.709  -7.998
   82   HH21  ARG   8          HH21      ARG   8  10.106   4.679  -5.384
   83   HH22  ARG   8          HH22      ARG   8  10.281   4.235  -7.051
   84    H    GLY   9           HN       GLY   9   4.651  -0.744  -0.822
   85    HA2  GLY   9           HA2      GLY   9   1.938  -1.383  -1.480
   86    HA3  GLY   9           HA1      GLY   9   3.041  -2.382  -0.541
   87    H    TYR  10           HN       TYR  10   3.208   0.473   0.939
   88    HA   TYR  10           HA       TYR  10   1.222  -0.226   2.926
   89    HB2  TYR  10           HB2      TYR  10   3.134   0.377   4.049
   90    HB3  TYR  10           HB1      TYR  10   3.636   1.503   2.802
   91    HD1  TYR  10           HD1      TYR  10   0.994   1.163   5.443
   92    HD2  TYR  10           HD2      TYR  10   3.583   3.720   3.248
   93    HE1  TYR  10           HE1      TYR  10   0.287   3.066   6.837
   94    HE2  TYR  10           HE2      TYR  10   2.894   5.627   4.627
   95    HH   TYR  10           HH       TYR  10   1.185   5.278   7.528
   96    H    TRP  11           HN       TRP  11   2.083   2.729   1.057
   97    HA   TRP  11           HA       TRP  11  -0.408   3.901   1.896
   98    HB2  TRP  11           HB2      TRP  11   0.265   5.895   0.624
   99    HB3  TRP  11           HB1      TRP  11   1.478   5.378   1.780
  100    HD1  TRP  11           HD1      TRP  11   3.687   4.127   0.675
  101    HE1  TRP  11           HE1      TRP  11   4.865   4.619  -1.559
  102    HE3  TRP  11           HE3      TRP  11  -0.084   6.626  -1.697
  103    HZ2  TRP  11           HZ2      TRP  11   4.279   5.895  -3.991
  104    HZ3  TRP  11           HZ3      TRP  11   0.310   7.460  -3.979
  105    HH2  TRP  11           HH2      TRP  11   2.447   7.103  -5.103
  106    H    LEU  12           HN       LEU  12   0.822   2.529  -1.134
  107    HA   LEU  12           HA       LEU  12  -1.329   3.379  -2.754
  108    HB2  LEU  12           HB2      LEU  12   0.441   0.946  -2.985
  109    HB3  LEU  12           HB1      LEU  12  -0.702   1.448  -4.217
  110    HG   LEU  12           HG       LEU  12   1.611   3.129  -3.263
  111   HD11  LEU  12          HD11      LEU  12   2.661   2.544  -5.397
  112   HD12  LEU  12          HD12      LEU  12   1.331   1.440  -5.748
  113   HD13  LEU  12          HD13      LEU  12   2.408   1.119  -4.390
  114   HD21  LEU  12          HD21      LEU  12   1.117   4.431  -5.294
  115   HD22  LEU  12          HD22      LEU  12  -0.214   4.445  -4.139
  116   HD23  LEU  12          HD23      LEU  12  -0.303   3.423  -5.574
  117    H    THR  13           HN       THR  13  -0.997   0.844  -0.446
  118    HA   THR  13           HA       THR  13  -3.428  -0.486  -1.308
  119    HB   THR  13           HB       THR  13  -1.080  -1.354  -0.108
  120    HG1  THR  13           HG1      THR  13  -3.296  -3.035   0.060
  121   HG21  THR  13          HG21      THR  13  -1.836  -2.481   1.964
  122   HG22  THR  13          HG22      THR  13  -3.329  -1.546   1.895
  123   HG23  THR  13          HG23      THR  13  -1.783  -0.725   2.110
  124    H    ASN  14           HN       ASN  14  -2.629   2.092   0.670
  125    HA   ASN  14           HA       ASN  14  -4.847   1.609   2.521
  126    HB2  ASN  14           HB2      ASN  14  -2.321   3.065   2.695
  127    HB3  ASN  14           HB1      ASN  14  -3.701   3.890   3.405
  128   HD21  ASN  14          HD21      ASN  14  -1.568   1.180   3.612
  129   HD22  ASN  14          HD22      ASN  14  -2.096   0.615   5.162
  130    H    LYS  15           HN       LYS  15  -3.640   4.076   0.258
  131    HA   LYS  15           HA       LYS  15  -5.550   6.061   0.699
  132    HB2  LYS  15           HB2      LYS  15  -4.402   5.297  -1.994
  133    HB3  LYS  15           HB1      LYS  15  -5.067   6.860  -1.542
  134    HG2  LYS  15           HG2      LYS  15  -2.595   5.606  -0.377
  135    HG3  LYS  15           HG1      LYS  15  -2.627   6.877  -1.604
  136    HD2  LYS  15           HD2      LYS  15  -3.768   8.367  -0.029
  137    HD3  LYS  15           HD1      LYS  15  -3.738   7.096   1.193
  138    HE2  LYS  15           HE2      LYS  15  -1.308   7.114   1.181
  139    HE3  LYS  15           HE1      LYS  15  -1.309   8.344  -0.081
  140    HZ1  LYS  15           HZ1      LYS  15  -2.423   9.850   1.454
  141    HZ2  LYS  15           HZ2      LYS  15  -0.944   9.326   2.080
  142    HZ3  LYS  15           HZ3      LYS  15  -2.386   8.669   2.667
  143    H    VAL  16           HN       VAL  16  -5.622   3.261  -1.339
  144    HA   VAL  16           HA       VAL  16  -8.227   3.502  -2.348
  145    HB   VAL  16           HB       VAL  16  -6.718   2.031  -3.447
  146   HG11  VAL  16          HG11      VAL  16  -6.430   0.529  -0.842
  147   HG12  VAL  16          HG12      VAL  16  -5.245   1.665  -1.487
  148   HG13  VAL  16          HG13      VAL  16  -5.605   0.167  -2.360
  149   HG21  VAL  16          HG21      VAL  16  -7.890  -0.132  -3.404
  150   HG22  VAL  16          HG22      VAL  16  -9.019   1.224  -3.433
  151   HG23  VAL  16          HG23      VAL  16  -8.721   0.355  -1.927
  152    HA   PRO  17           HA       PRO  17 -10.285   2.415   1.529
  153    HB2  PRO  17           HB2      PRO  17 -12.806   2.641   0.468
  154    HB3  PRO  17           HB1      PRO  17 -11.894   3.996   1.139
  155    HG2  PRO  17           HG2      PRO  17 -12.306   3.209  -1.705
  156    HG3  PRO  17           HG1      PRO  17 -12.205   4.827  -0.990
  157    HD2  PRO  17           HD2      PRO  17 -10.151   3.662  -2.351
  158    HD3  PRO  17           HD1      PRO  17  -9.906   4.842  -1.054
  159    H    ILE  18           HN       ILE  18 -10.319   0.333   2.020
  160    HA   ILE  18           HA       ILE  18 -10.669  -1.615  -0.085
  161    HB   ILE  18           HB       ILE  18 -10.059  -3.295   1.660
  162   HG12  ILE  18          HG12      ILE  18  -9.600  -0.835   3.366
  163   HG13  ILE  18          HG11      ILE  18 -10.859  -2.038   3.628
  164   HG21  ILE  18          HG21      ILE  18  -7.702  -2.591   1.791
  165   HG22  ILE  18          HG22      ILE  18  -8.173  -0.982   1.241
  166   HG23  ILE  18          HG23      ILE  18  -8.387  -2.373   0.181
  167   HD11  ILE  18          HD11      ILE  18  -8.970  -2.351   5.135
  168   HD12  ILE  18          HD12      ILE  18  -7.896  -2.549   3.751
  169   HD13  ILE  18          HD13      ILE  18  -9.170  -3.730   4.054
  170    H    LYS  19           HN       LYS  19 -12.937  -0.154   0.632
  171    HA   LYS  19           HA       LYS  19 -14.689  -2.315   1.582
  172    HB2  LYS  19           HB2      LYS  19 -15.169   0.666   1.444
  173    HB3  LYS  19           HB1      LYS  19 -16.396  -0.513   1.882
  174    HG2  LYS  19           HG2      LYS  19 -14.978  -1.212   3.790
  175    HG3  LYS  19           HG1      LYS  19 -13.850   0.077   3.375
  176    HD2  LYS  19           HD2      LYS  19 -16.753   0.474   4.095
  177    HD3  LYS  19           HD1      LYS  19 -15.395   0.704   5.195
  178    HE2  LYS  19           HE2      LYS  19 -14.509   2.451   3.710
  179    HE3  LYS  19           HE1      LYS  19 -15.896   2.232   2.644
  180    HZ1  LYS  19           HZ1      LYS  19 -16.225   4.103   4.111
  181    HZ2  LYS  19           HZ2      LYS  19 -16.000   3.126   5.471
  182    HZ3  LYS  19           HZ3      LYS  19 -17.344   2.886   4.474
  183    H    ARG  20           HN       ARG  20 -13.551  -0.711  -1.094
  184    HA   ARG  20           HA       ARG  20 -15.939  -1.173  -2.719
  185    HB2  ARG  20           HB2      ARG  20 -13.316   0.061  -3.566
  186    HB3  ARG  20           HB1      ARG  20 -14.839   0.112  -4.428
  187    HG2  ARG  20           HG2      ARG  20 -15.800   1.489  -2.665
  188    HG3  ARG  20           HG1      ARG  20 -14.255   1.435  -1.822
  189    HD2  ARG  20           HD2      ARG  20 -13.162   2.554  -3.667
  190    HD3  ARG  20           HD1      ARG  20 -14.665   2.538  -4.588
  191    HE   ARG  20           HE       ARG  20 -14.991   3.844  -2.083
  192   HH11  ARG  20          HH11      ARG  20 -13.707   4.290  -5.308
  193   HH12  ARG  20          HH12      ARG  20 -13.918   6.010  -5.294
  194   HH21  ARG  20          HH21      ARG  20 -15.266   6.110  -2.051
  195   HH22  ARG  20          HH22      ARG  20 -14.793   7.051  -3.429
  196    HA   PRO  21           HA       PRO  21 -13.946  -4.805  -4.515
  197    HB2  PRO  21           HB2      PRO  21 -15.672  -4.467  -6.843
  198    HB3  PRO  21           HB1      PRO  21 -15.673  -5.758  -5.639
  199    HG2  PRO  21           HG2      PRO  21 -17.667  -3.934  -5.834
  200    HG3  PRO  21           HG1      PRO  21 -17.200  -4.687  -4.300
  201    HD2  PRO  21           HD2      PRO  21 -16.511  -1.977  -5.373
  202    HD3  PRO  21           HD1      PRO  21 -16.964  -2.461  -3.723
  203    H    SER  22           HN       SER  22 -12.471  -2.549  -4.761
  204    HA   SER  22           HA       SER  22 -11.952  -2.004  -7.562
  205    HB2  SER  22           HB2      SER  22 -11.816  -0.260  -5.716
  206    HB3  SER  22           HB1      SER  22 -10.364  -1.082  -5.154
  207    HG   SER  22           HG       SER  22 -10.081  -0.675  -7.753
  Start of MODEL   15
    1    H1   LEU   1           HT1      LEU   1   8.767  -7.807   2.568
    2    H2   LEU   1           HT2      LEU   1   9.294  -6.580   1.535
    3    H3   LEU   1           HT3      LEU   1   9.244  -6.319   3.205
    4    HA   LEU   1           HA       LEU   1  10.935  -7.976   3.564
    5    HB2  LEU   1           HB2      LEU   1  11.113  -8.071   0.548
    6    HB3  LEU   1           HB1      LEU   1  12.157  -8.914   1.671
    7    HG   LEU   1           HG       LEU   1   9.899 -10.021   2.461
    8   HD11  LEU   1          HD11      LEU   1   8.346 -10.363   0.607
    9   HD12  LEU   1          HD12      LEU   1   9.277  -9.242  -0.384
   10   HD13  LEU   1          HD13      LEU   1   8.444  -8.660   1.057
   11   HD21  LEU   1          HD21      LEU   1  11.814 -11.207   1.534
   12   HD22  LEU   1          HD22      LEU   1  11.305 -10.774  -0.097
   13   HD23  LEU   1          HD23      LEU   1  10.303 -11.842   0.886
   14    H    ARG   2           HN       ARG   2  10.865  -5.655   0.874
   15    HA   ARG   2           HA       ARG   2  13.358  -4.475   1.897
   16    HB2  ARG   2           HB2      ARG   2  12.872  -5.264  -0.614
   17    HB3  ARG   2           HB1      ARG   2  12.179  -3.648  -0.695
   18    HG2  ARG   2           HG2      ARG   2  14.477  -3.653  -1.473
   19    HG3  ARG   2           HG1      ARG   2  14.299  -2.683  -0.011
   20    HD2  ARG   2           HD2      ARG   2  16.328  -4.173  -0.068
   21    HD3  ARG   2           HD1      ARG   2  15.290  -4.357   1.342
   22    HE   ARG   2           HE       ARG   2  14.952  -6.199  -0.914
   23   HH11  ARG   2          HH11      ARG   2  16.023  -5.634   2.372
   24   HH12  ARG   2          HH12      ARG   2  16.040  -7.317   2.792
   25   HH21  ARG   2          HH21      ARG   2  14.967  -8.418  -0.363
   26   HH22  ARG   2          HH22      ARG   2  15.451  -8.906   1.232
   27    H    LEU   3           HN       LEU   3  13.453  -2.031   1.729
   28    HA   LEU   3           HA       LEU   3  11.373  -1.048   3.326
   29    HB2  LEU   3           HB2      LEU   3  13.579  -0.162   3.572
   30    HB3  LEU   3           HB1      LEU   3  13.606   0.366   1.899
   31    HG   LEU   3           HG       LEU   3  11.953   2.071   2.356
   32   HD11  LEU   3          HD11      LEU   3  10.644   0.881   4.030
   33   HD12  LEU   3          HD12      LEU   3  11.125   2.475   4.612
   34   HD13  LEU   3          HD13      LEU   3  11.967   1.037   5.185
   35   HD21  LEU   3          HD21      LEU   3  14.172   2.072   4.398
   36   HD22  LEU   3          HD22      LEU   3  13.250   3.481   3.880
   37   HD23  LEU   3          HD23      LEU   3  14.288   2.637   2.733
   38    H    ILE   4           HN       ILE   4  12.286   0.048   0.073
   39    HA   ILE   4           HA       ILE   4  10.135   1.849  -0.149
   40    HB   ILE   4           HB       ILE   4  11.914   0.622  -2.223
   41   HG12  ILE   4          HG12      ILE   4  12.930   2.136  -0.554
   42   HG13  ILE   4          HG11      ILE   4  13.008   2.783  -2.189
   43   HG21  ILE   4          HG21      ILE   4  11.109   2.417  -3.743
   44   HG22  ILE   4          HG22      ILE   4   9.813   2.739  -2.593
   45   HG23  ILE   4          HG23      ILE   4   9.915   1.169  -3.394
   46   HD11  ILE   4          HD11      ILE   4  12.450   4.539  -0.664
   47   HD12  ILE   4          HD12      ILE   4  11.107   3.603  -0.012
   48   HD13  ILE   4          HD13      ILE   4  11.045   4.193  -1.672
   49    H    HIS   5           HN       HIS   5  10.428  -1.521  -0.905
   50    HA   HIS   5           HA       HIS   5   8.093  -1.623  -2.580
   51    HB2  HIS   5           HB2      HIS   5   9.596  -3.904  -1.273
   52    HB3  HIS   5           HB1      HIS   5   8.459  -4.034  -2.612
   53    HD1  HIS   5           HD1      HIS   5   9.517  -4.055  -4.873
   54    HD2  HIS   5           HD2      HIS   5  11.923  -2.215  -2.033
   55    HE1  HIS   5           HE1      HIS   5  11.652  -3.464  -6.060
   56    HE2  HIS   5           HE2      HIS   5  13.086  -2.347  -4.334
   57    H    ALA   6           HN       ALA   6   8.777  -1.777   0.769
   58    HA   ALA   6           HA       ALA   6   6.212  -2.924   1.482
   59    HB1  ALA   6           HB1      ALA   6   6.947  -2.584   3.784
   60    HB2  ALA   6           HB2      ALA   6   8.349  -1.672   3.217
   61    HB3  ALA   6           HB3      ALA   6   8.211  -3.394   2.855
   62    H    VAL   7           HN       VAL   7   7.921   0.123   1.446
   63    HA   VAL   7           HA       VAL   7   6.057   1.807   2.593
   64    HB   VAL   7           HB       VAL   7   8.105   2.245   0.440
   65   HG11  VAL   7          HG11      VAL   7   6.169   4.275   1.545
   66   HG12  VAL   7          HG12      VAL   7   6.472   3.858  -0.153
   67   HG13  VAL   7          HG13      VAL   7   7.701   4.714   0.787
   68   HG21  VAL   7          HG21      VAL   7   7.868   3.121   3.307
   69   HG22  VAL   7          HG22      VAL   7   9.181   3.571   2.215
   70   HG23  VAL   7          HG23      VAL   7   8.943   1.880   2.658
   71    H    ARG   8           HN       ARG   8   6.502   1.125  -0.851
   72    HA   ARG   8           HA       ARG   8   4.315   2.661  -1.691
   73    HB2  ARG   8           HB2      ARG   8   5.806   0.402  -3.001
   74    HB3  ARG   8           HB1      ARG   8   4.597   1.381  -3.834
   75    HG2  ARG   8           HG2      ARG   8   5.937   3.389  -3.377
   76    HG3  ARG   8           HG1      ARG   8   7.153   2.384  -2.589
   77    HD2  ARG   8           HD2      ARG   8   7.792   2.913  -4.889
   78    HD3  ARG   8           HD1      ARG   8   7.533   1.181  -4.678
   79    HE   ARG   8           HE       ARG   8   5.181   2.512  -5.605
   80   HH11  ARG   8          HH11      ARG   8   8.277   1.275  -6.666
   81   HH12  ARG   8          HH12      ARG   8   7.743   0.960  -8.283
   82   HH21  ARG   8          HH21      ARG   8   4.473   2.103  -7.731
   83   HH22  ARG   8          HH22      ARG   8   5.573   1.427  -8.891
   84    H    GLY   9           HN       GLY   9   4.619  -0.810  -1.085
   85    HA2  GLY   9           HA2      GLY   9   1.910  -1.415  -1.706
   86    HA3  GLY   9           HA1      GLY   9   3.009  -2.432  -0.783
   87    H    TYR  10           HN       TYR  10   3.184   0.352   0.803
   88    HA   TYR  10           HA       TYR  10   1.194  -0.417   2.765
   89    HB2  TYR  10           HB2      TYR  10   3.147   0.083   3.884
   90    HB3  TYR  10           HB1      TYR  10   3.625   1.299   2.713
   91    HD1  TYR  10           HD1      TYR  10   3.546   3.490   3.302
   92    HD2  TYR  10           HD2      TYR  10   1.041   0.748   5.366
   93    HE1  TYR  10           HE1      TYR  10   2.846   5.290   4.820
   94    HE2  TYR  10           HE2      TYR  10   0.325   2.540   6.890
   95    HH   TYR  10           HH       TYR  10   1.017   5.845   6.312
   96    H    TRP  11           HN       TRP  11   2.105   2.602   1.026
   97    HA   TRP  11           HA       TRP  11  -0.312   3.825   1.996
   98    HB2  TRP  11           HB2      TRP  11   0.387   5.835   0.756
   99    HB3  TRP  11           HB1      TRP  11   1.618   5.242   1.856
  100    HD1  TRP  11           HD1      TRP  11   3.785   4.045   0.674
  101    HE1  TRP  11           HE1      TRP  11   4.887   4.540  -1.599
  102    HE3  TRP  11           HE3      TRP  11  -0.072   6.523  -1.579
  103    HZ2  TRP  11           HZ2      TRP  11   4.217   5.811  -4.015
  104    HZ3  TRP  11           HZ3      TRP  11   0.243   7.360  -3.871
  105    HH2  TRP  11           HH2      TRP  11   2.346   7.009  -5.063
  106    H    LEU  12           HN       LEU  12   0.733   2.424  -1.055
  107    HA   LEU  12           HA       LEU  12  -1.339   3.464  -2.651
  108    HB2  LEU  12           HB2      LEU  12   0.190   0.877  -2.883
  109    HB3  LEU  12           HB1      LEU  12  -0.888   1.496  -4.120
  110    HG   LEU  12           HG       LEU  12   1.561   2.958  -3.135
  111   HD11  LEU  12          HD11      LEU  12   2.158   0.848  -4.248
  112   HD12  LEU  12          HD12      LEU  12   2.613   2.248  -5.215
  113   HD13  LEU  12          HD13      LEU  12   1.181   1.312  -5.641
  114   HD21  LEU  12          HD21      LEU  12   1.222   4.307  -5.142
  115   HD22  LEU  12          HD22      LEU  12  -0.169   4.396  -4.062
  116   HD23  LEU  12          HD23      LEU  12  -0.240   3.396  -5.512
  117    H    THR  13           HN       THR  13  -1.213   0.759  -0.462
  118    HA   THR  13           HA       THR  13  -3.780  -0.272  -1.337
  119    HB   THR  13           HB       THR  13  -1.657  -1.566  -0.439
  120    HG1  THR  13           HG1      THR  13  -4.192  -2.454   0.475
  121   HG21  THR  13          HG21      THR  13  -3.231  -1.046   2.075
  122   HG22  THR  13          HG22      THR  13  -1.574  -0.534   1.747
  123   HG23  THR  13          HG23      THR  13  -1.952  -2.249   1.911
  124    H    ASN  14           HN       ASN  14  -2.758   2.168   0.607
  125    HA   ASN  14           HA       ASN  14  -4.827   1.811   2.650
  126    HB2  ASN  14           HB2      ASN  14  -2.177   2.944   2.595
  127    HB3  ASN  14           HB1      ASN  14  -3.345   4.093   3.241
  128   HD21  ASN  14          HD21      ASN  14  -1.717   1.081   3.713
  129   HD22  ASN  14          HD22      ASN  14  -2.236   0.814   5.345
  130    H    LYS  15           HN       LYS  15  -3.665   4.229   0.308
  131    HA   LYS  15           HA       LYS  15  -5.542   6.234   1.019
  132    HB2  LYS  15           HB2      LYS  15  -4.277   5.934  -1.701
  133    HB3  LYS  15           HB1      LYS  15  -4.811   7.414  -0.916
  134    HG2  LYS  15           HG2      LYS  15  -2.497   5.688  -0.084
  135    HG3  LYS  15           HG1      LYS  15  -2.398   7.253  -0.900
  136    HD2  LYS  15           HD2      LYS  15  -3.453   8.327   1.034
  137    HD3  LYS  15           HD1      LYS  15  -3.565   6.765   1.846
  138    HE2  LYS  15           HE2      LYS  15  -1.117   6.579   1.786
  139    HE3  LYS  15           HE1      LYS  15  -1.025   8.160   1.012
  140    HZ1  LYS  15           HZ1      LYS  15  -2.072   7.588   3.732
  141    HZ2  LYS  15           HZ2      LYS  15  -2.099   9.106   2.989
  142    HZ3  LYS  15           HZ3      LYS  15  -0.622   8.371   3.354
  143    H    VAL  16           HN       VAL  16  -5.555   3.650  -1.293
  144    HA   VAL  16           HA       VAL  16  -7.894   4.143  -2.676
  145    HB   VAL  16           HB       VAL  16  -6.517   2.380  -3.432
  146   HG11  VAL  16          HG11      VAL  16  -6.872   1.033  -0.756
  147   HG12  VAL  16          HG12      VAL  16  -5.437   1.935  -1.254
  148   HG13  VAL  16          HG13      VAL  16  -5.895   0.452  -2.105
  149   HG21  VAL  16          HG21      VAL  16  -8.005   0.429  -3.492
  150   HG22  VAL  16          HG22      VAL  16  -8.894   1.931  -3.747
  151   HG23  VAL  16          HG23      VAL  16  -8.961   1.121  -2.180
  152    HA   PRO  17           HA       PRO  17 -10.797   3.794   0.751
  153    HB2  PRO  17           HB2      PRO  17 -12.984   4.400  -0.767
  154    HB3  PRO  17           HB1      PRO  17 -11.910   5.620  -0.079
  155    HG2  PRO  17           HG2      PRO  17 -11.993   4.514  -2.854
  156    HG3  PRO  17           HG1      PRO  17 -11.742   6.185  -2.320
  157    HD2  PRO  17           HD2      PRO  17  -9.701   4.589  -3.101
  158    HD3  PRO  17           HD1      PRO  17  -9.508   5.833  -1.857
  159    H    ILE  18           HN       ILE  18 -11.308   1.830   1.365
  160    HA   ILE  18           HA       ILE  18 -12.355  -0.079  -0.616
  161    HB   ILE  18           HB       ILE  18 -11.614  -1.859   0.949
  162   HG12  ILE  18          HG12      ILE  18 -10.268   0.414   2.428
  163   HG13  ILE  18          HG11      ILE  18 -11.680  -0.463   3.004
  164   HG21  ILE  18          HG21      ILE  18 -10.203  -1.187  -0.924
  165   HG22  ILE  18          HG22      ILE  18  -9.228  -1.664   0.466
  166   HG23  ILE  18          HG23      ILE  18  -9.442   0.045   0.083
  167   HD11  ILE  18          HD11      ILE  18  -9.648  -1.244   4.075
  168   HD12  ILE  18          HD12      ILE  18  -8.960  -1.642   2.502
  169   HD13  ILE  18          HD13      ILE  18 -10.374  -2.515   3.093
  170    H    LYS  19           HN       LYS  19 -13.984   1.829   0.575
  171    HA   LYS  19           HA       LYS  19 -15.349   0.633   2.834
  172    HB2  LYS  19           HB2      LYS  19 -16.120   3.080   1.239
  173    HB3  LYS  19           HB1      LYS  19 -16.690   2.640   2.843
  174    HG2  LYS  19           HG2      LYS  19 -14.455   2.963   3.744
  175    HG3  LYS  19           HG1      LYS  19 -13.852   3.360   2.134
  176    HD2  LYS  19           HD2      LYS  19 -15.413   5.271   2.063
  177    HD3  LYS  19           HD1      LYS  19 -15.919   4.894   3.710
  178    HE2  LYS  19           HE2      LYS  19 -13.620   5.241   4.483
  179    HE3  LYS  19           HE1      LYS  19 -13.131   5.634   2.834
  180    HZ1  LYS  19           HZ1      LYS  19 -15.070   7.145   4.495
  181    HZ2  LYS  19           HZ2      LYS  19 -14.703   7.494   2.884
  182    HZ3  LYS  19           HZ3      LYS  19 -13.509   7.641   4.072
  183    H    ARG  20           HN       ARG  20 -16.194   1.623  -0.456
  184    HA   ARG  20           HA       ARG  20 -18.726   0.322  -0.467
  185    HB2  ARG  20           HB2      ARG  20 -17.001   1.373  -2.715
  186    HB3  ARG  20           HB1      ARG  20 -18.650   0.798  -2.916
  187    HG2  ARG  20           HG2      ARG  20 -19.497   2.567  -1.567
  188    HG3  ARG  20           HG1      ARG  20 -17.877   3.079  -1.112
  189    HD2  ARG  20           HD2      ARG  20 -18.838   4.534  -2.819
  190    HD3  ARG  20           HD1      ARG  20 -17.426   3.675  -3.414
  191    HE   ARG  20           HE       ARG  20 -19.686   2.184  -4.084
  192   HH11  ARG  20          HH11      ARG  20 -18.208   5.250  -4.897
  193   HH12  ARG  20          HH12      ARG  20 -18.879   5.297  -6.494
  194   HH21  ARG  20          HH21      ARG  20 -20.567   2.230  -6.187
  195   HH22  ARG  20          HH22      ARG  20 -20.237   3.580  -7.226
  196    HA   PRO  21           HA       PRO  21 -16.929  -3.714  -1.475
  197    HB2  PRO  21           HB2      PRO  21 -19.605  -4.781  -1.185
  198    HB3  PRO  21           HB1      PRO  21 -18.195  -5.051  -0.160
  199    HG2  PRO  21           HG2      PRO  21 -20.397  -3.650   0.640
  200    HG3  PRO  21           HG1      PRO  21 -18.771  -3.382   1.291
  201    HD2  PRO  21           HD2      PRO  21 -20.271  -1.817  -0.773
  202    HD3  PRO  21           HD1      PRO  21 -19.225  -1.246   0.546
  203    H    SER  22           HN       SER  22 -17.596  -1.889  -3.528
  204    HA   SER  22           HA       SER  22 -19.421  -3.180  -5.343
  205    HB2  SER  22           HB2      SER  22 -18.413  -1.339  -6.904
  206    HB3  SER  22           HB1      SER  22 -19.462  -0.861  -5.569
  207    HG   SER  22           HG       SER  22 -17.127   0.076  -5.996
  Start of MODEL   16
    1    H1   LEU   1           HT1      LEU   1  12.091  -8.579  -0.853
    2    H2   LEU   1           HT2      LEU   1  10.754  -7.552  -0.826
    3    H3   LEU   1           HT3      LEU   1  10.630  -9.113  -0.193
    4    HA   LEU   1           HA       LEU   1  10.790  -7.483   1.559
    5    HB2  LEU   1           HB2      LEU   1  13.201  -9.261   1.209
    6    HB3  LEU   1           HB1      LEU   1  12.825  -8.420   2.698
    7    HG   LEU   1           HG       LEU   1  11.098 -10.525   1.392
    8   HD11  LEU   1          HD11      LEU   1  11.743 -11.915   3.282
    9   HD12  LEU   1          HD12      LEU   1  12.792 -10.631   3.885
   10   HD13  LEU   1          HD13      LEU   1  13.160 -11.426   2.354
   11   HD21  LEU   1          HD21      LEU   1  10.789  -9.043   4.003
   12   HD22  LEU   1          HD22      LEU   1   9.802 -10.407   3.481
   13   HD23  LEU   1          HD23      LEU   1   9.754  -8.891   2.584
   14    H    ARG   2           HN       ARG   2  11.010  -5.359   1.076
   15    HA   ARG   2           HA       ARG   2  13.702  -4.294   1.267
   16    HB2  ARG   2           HB2      ARG   2  13.060  -4.638  -1.223
   17    HB3  ARG   2           HB1      ARG   2  11.932  -3.316  -0.956
   18    HG2  ARG   2           HG2      ARG   2  13.932  -2.464  -1.959
   19    HG3  ARG   2           HG1      ARG   2  13.815  -1.878  -0.301
   20    HD2  ARG   2           HD2      ARG   2  15.408  -3.552   0.429
   21    HD3  ARG   2           HD1      ARG   2  15.476  -4.224  -1.198
   22    HE   ARG   2           HE       ARG   2  16.148  -1.523  -1.361
   23   HH11  ARG   2          HH11      ARG   2  17.408  -4.467   0.034
   24   HH12  ARG   2          HH12      ARG   2  19.063  -3.966  -0.073
   25   HH21  ARG   2          HH21      ARG   2  18.316  -0.852  -1.519
   26   HH22  ARG   2          HH22      ARG   2  19.585  -1.896  -0.964
   27    H    LEU   3           HN       LEU   3  13.486  -1.767   1.352
   28    HA   LEU   3           HA       LEU   3  11.433  -1.164   3.238
   29    HB2  LEU   3           HB2      LEU   3  13.578  -0.140   3.528
   30    HB3  LEU   3           HB1      LEU   3  13.529   0.536   1.911
   31    HG   LEU   3           HG       LEU   3  11.722   2.043   2.567
   32   HD11  LEU   3          HD11      LEU   3  11.029   2.216   4.898
   33   HD12  LEU   3          HD12      LEU   3  12.025   0.818   5.302
   34   HD13  LEU   3          HD13      LEU   3  10.640   0.634   4.224
   35   HD21  LEU   3          HD21      LEU   3  12.992   3.465   4.096
   36   HD22  LEU   3          HD22      LEU   3  14.021   2.793   2.832
   37   HD23  LEU   3          HD23      LEU   3  14.068   2.116   4.460
   38    H    ILE   4           HN       ILE   4  12.249   0.376   0.154
   39    HA   ILE   4           HA       ILE   4   9.965   1.964   0.027
   40    HB   ILE   4           HB       ILE   4  11.888   1.051  -2.073
   41   HG12  ILE   4          HG12      ILE   4  12.668   2.584  -0.304
   42   HG13  ILE   4          HG11      ILE   4  12.704   3.335  -1.897
   43   HG21  ILE   4          HG21      ILE   4   9.850   1.426  -3.280
   44   HG22  ILE   4          HG22      ILE   4  10.926   2.799  -3.551
   45   HG23  ILE   4          HG23      ILE   4   9.576   2.947  -2.426
   46   HD11  ILE   4          HD11      ILE   4  11.896   4.917  -0.295
   47   HD12  ILE   4          HD12      ILE   4  10.677   3.782   0.278
   48   HD13  ILE   4          HD13      ILE   4  10.560   4.454  -1.348
   49    H    HIS   5           HN       HIS   5  10.451  -1.327  -1.069
   50    HA   HIS   5           HA       HIS   5   8.082  -1.383  -2.687
   51    HB2  HIS   5           HB2      HIS   5   9.716  -3.678  -1.582
   52    HB3  HIS   5           HB1      HIS   5   8.462  -3.817  -2.810
   53    HD1  HIS   5           HD1      HIS   5   9.255  -3.648  -5.179
   54    HD2  HIS   5           HD2      HIS   5  11.923  -1.973  -2.469
   55    HE1  HIS   5           HE1      HIS   5  11.240  -2.918  -6.543
   56    HE2  HIS   5           HE2      HIS   5  12.927  -2.118  -4.853
   57    H    ALA   6           HN       ALA   6   8.800  -1.744   0.624
   58    HA   ALA   6           HA       ALA   6   6.299  -3.047   1.301
   59    HB1  ALA   6           HB1      ALA   6   8.355  -3.527   2.571
   60    HB2  ALA   6           HB2      ALA   6   7.100  -2.831   3.600
   61    HB3  ALA   6           HB3      ALA   6   8.444  -1.830   3.045
   62    H    VAL   7           HN       VAL   7   7.884   0.053   1.417
   63    HA   VAL   7           HA       VAL   7   5.973   1.601   2.695
   64    HB   VAL   7           HB       VAL   7   8.032   2.214   0.597
   65   HG11  VAL   7          HG11      VAL   7   7.594   4.644   1.063
   66   HG12  VAL   7          HG12      VAL   7   6.071   4.153   1.808
   67   HG13  VAL   7          HG13      VAL   7   6.365   3.826   0.094
   68   HG21  VAL   7          HG21      VAL   7   7.746   2.893   3.512
   69   HG22  VAL   7          HG22      VAL   7   9.064   3.440   2.472
   70   HG23  VAL   7          HG23      VAL   7   8.850   1.719   2.795
   71    H    ARG   8           HN       ARG   8   6.440   1.116  -0.792
   72    HA   ARG   8           HA       ARG   8   4.128   2.563  -1.523
   73    HB2  ARG   8           HB2      ARG   8   5.737   0.506  -3.028
   74    HB3  ARG   8           HB1      ARG   8   4.500   1.532  -3.755
   75    HG2  ARG   8           HG2      ARG   8   5.785   3.517  -3.113
   76    HG3  ARG   8           HG1      ARG   8   7.027   2.481  -2.409
   77    HD2  ARG   8           HD2      ARG   8   7.742   3.166  -4.598
   78    HD3  ARG   8           HD1      ARG   8   7.351   1.448  -4.646
   79    HE   ARG   8           HE       ARG   8   5.129   3.068  -5.411
   80   HH11  ARG   8          HH11      ARG   8   8.134   1.699  -6.571
   81   HH12  ARG   8          HH12      ARG   8   7.653   1.729  -8.238
   82   HH21  ARG   8          HH21      ARG   8   4.494   3.110  -7.609
   83   HH22  ARG   8          HH22      ARG   8   5.581   2.521  -8.827
   84    H    GLY   9           HN       GLY   9   4.736  -0.822  -0.853
   85    HA2  GLY   9           HA2      GLY   9   2.093  -1.685  -1.544
   86    HA3  GLY   9           HA1      GLY   9   3.283  -2.604  -0.627
   87    H    TYR  10           HN       TYR  10   3.230   0.214   0.918
   88    HA   TYR  10           HA       TYR  10   1.123  -0.547   2.762
   89    HB2  TYR  10           HB2      TYR  10   2.934   0.032   4.050
   90    HB3  TYR  10           HB1      TYR  10   3.535   1.181   2.868
   91    HD1  TYR  10           HD1      TYR  10   3.629   3.298   3.579
   92    HD2  TYR  10           HD2      TYR  10   0.442   0.864   4.980
   93    HE1  TYR  10           HE1      TYR  10   2.776   5.197   4.878
   94    HE2  TYR  10           HE2      TYR  10  -0.430   2.758   6.299
   95    HH   TYR  10           HH       TYR  10   0.536   5.928   5.808
   96    H    TRP  11           HN       TRP  11   2.114   2.456   1.012
   97    HA   TRP  11           HA       TRP  11  -0.333   3.668   1.910
   98    HB2  TRP  11           HB2      TRP  11   0.445   5.724   0.839
   99    HB3  TRP  11           HB1      TRP  11   1.627   5.049   1.947
  100    HD1  TRP  11           HD1      TRP  11   3.878   4.031   0.818
  101    HE1  TRP  11           HE1      TRP  11   5.042   4.620  -1.400
  102    HE3  TRP  11           HE3      TRP  11   0.005   6.390  -1.515
  103    HZ2  TRP  11           HZ2      TRP  11   4.402   5.928  -3.817
  104    HZ3  TRP  11           HZ3      TRP  11   0.359   7.298  -3.776
  105    HH2  TRP  11           HH2      TRP  11   2.513   7.069  -4.902
  106    H    LEU  12           HN       LEU  12   0.643   2.123  -1.044
  107    HA   LEU  12           HA       LEU  12  -1.365   3.390  -2.653
  108    HB2  LEU  12           HB2      LEU  12   0.135   0.791  -3.015
  109    HB3  LEU  12           HB1      LEU  12  -0.927   1.501  -4.219
  110    HG   LEU  12           HG       LEU  12   1.549   2.852  -3.144
  111   HD11  LEU  12          HD11      LEU  12   1.138   1.366  -5.743
  112   HD12  LEU  12          HD12      LEU  12   2.130   0.824  -4.389
  113   HD13  LEU  12          HD13      LEU  12   2.578   2.275  -5.286
  114   HD21  LEU  12          HD21      LEU  12  -0.128   4.390  -3.962
  115   HD22  LEU  12          HD22      LEU  12  -0.264   3.482  -5.468
  116   HD23  LEU  12          HD23      LEU  12   1.235   4.326  -5.078
  117    H    THR  13           HN       THR  13  -1.145   0.803  -0.461
  118    HA   THR  13           HA       THR  13  -3.644  -0.462  -1.008
  119    HB   THR  13           HB       THR  13  -2.433  -0.822   1.626
  120    HG1  THR  13           HG1      THR  13  -0.454  -1.602   0.799
  121   HG21  THR  13          HG21      THR  13  -2.788  -2.631  -0.742
  122   HG22  THR  13          HG22      THR  13  -3.955  -2.413   0.563
  123   HG23  THR  13          HG23      THR  13  -2.379  -3.133   0.895
  124    H    ASN  14           HN       ASN  14  -2.662   2.327   0.620
  125    HA   ASN  14           HA       ASN  14  -4.983   2.322   2.402
  126    HB2  ASN  14           HB2      ASN  14  -2.359   3.699   2.429
  127    HB3  ASN  14           HB1      ASN  14  -3.726   4.524   3.155
  128   HD21  ASN  14          HD21      ASN  14  -1.677   1.706   3.307
  129   HD22  ASN  14          HD22      ASN  14  -2.094   1.263   4.927
  130    H    LYS  15           HN       LYS  15  -3.380   4.410  -0.001
  131    HA   LYS  15           HA       LYS  15  -5.292   6.475   0.085
  132    HB2  LYS  15           HB2      LYS  15  -4.300   7.244  -2.022
  133    HB3  LYS  15           HB1      LYS  15  -3.076   6.835  -0.838
  134    HG2  LYS  15           HG2      LYS  15  -2.195   5.945  -2.762
  135    HG3  LYS  15           HG1      LYS  15  -3.020   4.548  -2.068
  136    HD2  LYS  15           HD2      LYS  15  -4.955   4.998  -3.513
  137    HD3  LYS  15           HD1      LYS  15  -4.095   6.363  -4.227
  138    HE2  LYS  15           HE2      LYS  15  -2.345   4.822  -5.013
  139    HE3  LYS  15           HE1      LYS  15  -3.247   3.469  -4.334
  140    HZ1  LYS  15           HZ1      LYS  15  -3.684   3.649  -6.678
  141    HZ2  LYS  15           HZ2      LYS  15  -4.149   5.266  -6.518
  142    HZ3  LYS  15           HZ3      LYS  15  -5.094   4.047  -5.830
  143    H    VAL  16           HN       VAL  16  -5.280   3.453  -1.485
  144    HA   VAL  16           HA       VAL  16  -7.185   3.837  -3.472
  145    HB   VAL  16           HB       VAL  16  -5.901   1.821  -3.457
  146   HG11  VAL  16          HG11      VAL  16  -7.236   1.104  -0.850
  147   HG12  VAL  16          HG12      VAL  16  -5.582   1.698  -1.005
  148   HG13  VAL  16          HG13      VAL  16  -6.037   0.146  -1.720
  149   HG21  VAL  16          HG21      VAL  16  -8.108   1.603  -4.431
  150   HG22  VAL  16          HG22      VAL  16  -8.797   1.218  -2.853
  151   HG23  VAL  16          HG23      VAL  16  -7.665   0.101  -3.619
  152    HA   PRO  17           HA       PRO  17 -10.770   4.542  -0.855
  153    HB2  PRO  17           HB2      PRO  17 -12.488   4.816  -2.974
  154    HB3  PRO  17           HB1      PRO  17 -11.494   6.130  -2.339
  155    HG2  PRO  17           HG2      PRO  17 -11.042   4.389  -4.721
  156    HG3  PRO  17           HG1      PRO  17 -10.730   6.122  -4.521
  157    HD2  PRO  17           HD2      PRO  17  -8.770   4.257  -4.401
  158    HD3  PRO  17           HD1      PRO  17  -8.710   5.761  -3.468
  159    H    ILE  18           HN       ILE  18 -11.548   2.798   0.087
  160    HA   ILE  18           HA       ILE  18 -12.669   0.666  -1.590
  161    HB   ILE  18           HB       ILE  18 -12.087  -0.952   0.221
  162   HG12  ILE  18          HG12      ILE  18 -10.431   1.353   1.279
  163   HG13  ILE  18          HG11      ILE  18 -11.862   0.684   2.055
  164   HG21  ILE  18          HG21      ILE  18 -10.710  -0.787  -1.774
  165   HG22  ILE  18          HG22      ILE  18  -9.710  -1.123  -0.362
  166   HG23  ILE  18          HG23      ILE  18  -9.765   0.506  -1.036
  167   HD11  ILE  18          HD11      ILE  18  -9.834  -0.112   3.115
  168   HD12  ILE  18          HD12      ILE  18  -9.268  -0.764   1.577
  169   HD13  ILE  18          HD13      ILE  18 -10.700  -1.444   2.350
  170    H    LYS  19           HN       LYS  19 -13.880   3.000  -0.422
  171    HA   LYS  19           HA       LYS  19 -15.815   1.723   1.401
  172    HB2  LYS  19           HB2      LYS  19 -15.534   4.693   0.938
  173    HB3  LYS  19           HB1      LYS  19 -16.387   3.881   2.239
  174    HG2  LYS  19           HG2      LYS  19 -13.404   3.827   1.862
  175    HG3  LYS  19           HG1      LYS  19 -14.262   4.928   2.936
  176    HD2  LYS  19           HD2      LYS  19 -15.104   3.046   4.223
  177    HD3  LYS  19           HD1      LYS  19 -14.323   1.915   3.118
  178    HE2  LYS  19           HE2      LYS  19 -13.035   2.239   5.188
  179    HE3  LYS  19           HE1      LYS  19 -12.142   2.745   3.756
  180    HZ1  LYS  19           HZ1      LYS  19 -12.730   5.043   4.256
  181    HZ2  LYS  19           HZ2      LYS  19 -11.893   4.338   5.544
  182    HZ3  LYS  19           HZ3      LYS  19 -13.568   4.547   5.638
  183    H    ARG  20           HN       ARG  20 -15.786   4.352  -0.998
  184    HA   ARG  20           HA       ARG  20 -18.216   3.218  -2.184
  185    HB2  ARG  20           HB2      ARG  20 -16.911   5.923  -2.552
  186    HB3  ARG  20           HB1      ARG  20 -18.321   5.372  -3.450
  187    HG2  ARG  20           HG2      ARG  20 -19.545   5.137  -1.333
  188    HG3  ARG  20           HG1      ARG  20 -18.144   5.774  -0.473
  189    HD2  ARG  20           HD2      ARG  20 -18.325   7.860  -1.741
  190    HD3  ARG  20           HD1      ARG  20 -19.729   7.223  -2.594
  191    HE   ARG  20           HE       ARG  20 -20.219   7.073   0.159
  192   HH11  ARG  20          HH11      ARG  20 -19.828   9.490  -2.337
  193   HH12  ARG  20          HH12      ARG  20 -20.846  10.654  -1.550
  194   HH21  ARG  20          HH21      ARG  20 -21.562   8.602   1.205
  195   HH22  ARG  20          HH22      ARG  20 -21.824  10.151   0.468
  196    HA   PRO  21           HA       PRO  21 -15.528   1.678  -5.365
  197    HB2  PRO  21           HB2      PRO  21 -17.357   0.335  -6.787
  198    HB3  PRO  21           HB1      PRO  21 -16.859  -0.202  -5.178
  199    HG2  PRO  21           HG2      PRO  21 -19.333   1.235  -6.015
  200    HG3  PRO  21           HG1      PRO  21 -19.128  -0.030  -4.794
  201    HD2  PRO  21           HD2      PRO  21 -19.302   2.701  -4.281
  202    HD3  PRO  21           HD1      PRO  21 -18.656   1.486  -3.166
  203    H    SER  22           HN       SER  22 -16.635   4.403  -5.600
  204    HA   SER  22           HA       SER  22 -16.931   4.530  -8.521
  205    HB2  SER  22           HB2      SER  22 -17.842   6.919  -7.850
  206    HB3  SER  22           HB1      SER  22 -18.888   5.503  -7.766
  207    HG   SER  22           HG       SER  22 -17.754   7.019  -5.717
  Start of MODEL   17
    1    H1   LEU   1           HT1      LEU   1   9.447  -6.477   2.535
    2    H2   LEU   1           HT2      LEU   1  10.505  -6.686   3.832
    3    H3   LEU   1           HT3      LEU   1   9.460  -7.934   3.395
    4    HA   LEU   1           HA       LEU   1  11.617  -8.488   2.620
    5    HB2  LEU   1           HB2      LEU   1   9.826  -7.498   0.395
    6    HB3  LEU   1           HB1      LEU   1  11.259  -8.461   0.122
    7    HG   LEU   1           HG       LEU   1  10.165 -10.249   1.572
    8   HD11  LEU   1          HD11      LEU   1   7.687 -10.170   1.616
    9   HD12  LEU   1          HD12      LEU   1   7.769  -8.483   1.108
   10   HD13  LEU   1          HD13      LEU   1   8.450  -8.972   2.657
   11   HD21  LEU   1          HD21      LEU   1   8.877  -9.484  -1.041
   12   HD22  LEU   1          HD22      LEU   1   8.823 -11.080  -0.291
   13   HD23  LEU   1          HD23      LEU   1  10.360 -10.418  -0.845
   14    H    ARG   2           HN       ARG   2  10.585  -5.397   1.182
   15    HA   ARG   2           HA       ARG   2  13.319  -4.414   1.527
   16    HB2  ARG   2           HB2      ARG   2  12.658  -5.234  -0.914
   17    HB3  ARG   2           HB1      ARG   2  11.862  -3.664  -0.948
   18    HG2  ARG   2           HG2      ARG   2  13.886  -3.132  -1.844
   19    HG3  ARG   2           HG1      ARG   2  14.181  -2.790  -0.141
   20    HD2  ARG   2           HD2      ARG   2  14.954  -5.305  -1.615
   21    HD3  ARG   2           HD1      ARG   2  16.042  -4.005  -1.145
   22    HE   ARG   2           HE       ARG   2  14.572  -5.407   0.965
   23   HH11  ARG   2          HH11      ARG   2  17.579  -4.840  -0.729
   24   HH12  ARG   2          HH12      ARG   2  18.562  -5.538   0.519
   25   HH21  ARG   2          HH21      ARG   2  15.858  -6.319   2.617
   26   HH22  ARG   2          HH22      ARG   2  17.581  -6.383   2.420
   27    H    LEU   3           HN       LEU   3  13.415  -2.096   1.661
   28    HA   LEU   3           HA       LEU   3  11.367  -1.076   3.214
   29    HB2  LEU   3           HB2      LEU   3  13.601  -0.222   3.409
   30    HB3  LEU   3           HB1      LEU   3  13.571   0.344   1.751
   31    HG   LEU   3           HG       LEU   3  11.949   2.053   2.309
   32   HD11  LEU   3          HD11      LEU   3  11.248   2.415   4.626
   33   HD12  LEU   3          HD12      LEU   3  12.060   0.923   5.100
   34   HD13  LEU   3          HD13      LEU   3  10.684   0.869   3.997
   35   HD21  LEU   3          HD21      LEU   3  13.319   3.409   3.833
   36   HD22  LEU   3          HD22      LEU   3  14.288   2.613   2.592
   37   HD23  LEU   3          HD23      LEU   3  14.264   1.976   4.238
   38    H    ILE   4           HN       ILE   4  12.248   0.086  -0.011
   39    HA   ILE   4           HA       ILE   4  10.098   1.839  -0.264
   40    HB   ILE   4           HB       ILE   4  11.878   0.539  -2.280
   41   HG12  ILE   4          HG12      ILE   4  12.822   2.185  -0.698
   42   HG13  ILE   4          HG11      ILE   4  12.898   2.741  -2.369
   43   HG21  ILE   4          HG21      ILE   4   9.848   0.945  -3.484
   44   HG22  ILE   4          HG22      ILE   4  11.018   2.188  -3.930
   45   HG23  ILE   4          HG23      ILE   4   9.715   2.568  -2.801
   46   HD11  ILE   4          HD11      ILE   4  12.266   4.560  -0.945
   47   HD12  ILE   4          HD12      ILE   4  10.944   3.618  -0.257
   48   HD13  ILE   4          HD13      ILE   4  10.885   4.115  -1.948
   49    H    HIS   5           HN       HIS   5  10.293  -1.572  -0.949
   50    HA   HIS   5           HA       HIS   5   7.896  -1.645  -2.536
   51    HB2  HIS   5           HB2      HIS   5   9.432  -3.911  -1.241
   52    HB3  HIS   5           HB1      HIS   5   8.145  -4.095  -2.431
   53    HD1  HIS   5           HD1      HIS   5   8.973  -4.376  -4.759
   54    HD2  HIS   5           HD2      HIS   5  11.633  -2.244  -2.385
   55    HE1  HIS   5           HE1      HIS   5  10.930  -3.836  -6.248
   56    HE2  HIS   5           HE2      HIS   5  12.483  -2.464  -4.825
   57    H    ALA   6           HN       ALA   6   8.710  -1.807   0.788
   58    HA   ALA   6           HA       ALA   6   6.152  -2.876   1.615
   59    HB1  ALA   6           HB1      ALA   6   8.228  -3.362   2.872
   60    HB2  ALA   6           HB2      ALA   6   7.010  -2.564   3.871
   61    HB3  ALA   6           HB3      ALA   6   8.379  -1.643   3.242
   62    H    VAL   7           HN       VAL   7   7.840   0.131   1.289
   63    HA   VAL   7           HA       VAL   7   6.045   1.852   2.551
   64    HB   VAL   7           HB       VAL   7   8.038   2.224   0.334
   65   HG11  VAL   7          HG11      VAL   7   7.691   4.699   0.642
   66   HG12  VAL   7          HG12      VAL   7   6.178   4.306   1.466
   67   HG13  VAL   7          HG13      VAL   7   6.411   3.848  -0.229
   68   HG21  VAL   7          HG21      VAL   7   7.904   3.135   3.197
   69   HG22  VAL   7          HG22      VAL   7   9.183   3.564   2.058
   70   HG23  VAL   7          HG23      VAL   7   8.946   1.880   2.523
   71    H    ARG   8           HN       ARG   8   6.398   1.095  -0.890
   72    HA   ARG   8           HA       ARG   8   4.172   2.605  -1.696
   73    HB2  ARG   8           HB2      ARG   8   5.676   0.359  -3.013
   74    HB3  ARG   8           HB1      ARG   8   4.419   1.293  -3.830
   75    HG2  ARG   8           HG2      ARG   8   5.724   3.347  -3.400
   76    HG3  ARG   8           HG1      ARG   8   6.999   2.357  -2.689
   77    HD2  ARG   8           HD2      ARG   8   7.309   1.199  -4.800
   78    HD3  ARG   8           HD1      ARG   8   5.976   2.098  -5.518
   79    HE   ARG   8           HE       ARG   8   8.057   3.785  -4.487
   80   HH11  ARG   8          HH11      ARG   8   7.054   1.863  -7.239
   81   HH12  ARG   8          HH12      ARG   8   7.973   2.787  -8.379
   82   HH21  ARG   8          HH21      ARG   8   9.285   4.989  -5.975
   83   HH22  ARG   8          HH22      ARG   8   9.257   4.568  -7.659
   84    H    GLY   9           HN       GLY   9   4.538  -0.820  -0.928
   85    HA2  GLY   9           HA2      GLY   9   1.805  -1.444  -1.512
   86    HA3  GLY   9           HA1      GLY   9   2.938  -2.468  -0.634
   87    H    TYR  10           HN       TYR  10   3.140   0.375   0.886
   88    HA   TYR  10           HA       TYR  10   1.177  -0.337   2.899
   89    HB2  TYR  10           HB2      TYR  10   3.112   0.250   4.007
   90    HB3  TYR  10           HB1      TYR  10   3.594   1.392   2.768
   91    HD1  TYR  10           HD1      TYR  10   0.948   1.022   5.406
   92    HD2  TYR  10           HD2      TYR  10   3.558   3.593   3.250
   93    HE1  TYR  10           HE1      TYR  10   0.232   2.916   6.807
   94    HE2  TYR  10           HE2      TYR  10   2.855   5.488   4.636
   95    HH   TYR  10           HH       TYR  10   1.040   5.102   7.505
   96    H    TRP  11           HN       TRP  11   2.074   2.695   1.166
   97    HA   TRP  11           HA       TRP  11  -0.412   3.822   2.073
   98    HB2  TRP  11           HB2      TRP  11   0.335   5.922   1.111
   99    HB3  TRP  11           HB1      TRP  11   1.574   5.210   2.129
  100    HD1  TRP  11           HD1      TRP  11   3.743   4.143   0.790
  101    HE1  TRP  11           HE1      TRP  11   4.813   4.900  -1.428
  102    HE3  TRP  11           HE3      TRP  11  -0.148   6.829  -1.098
  103    HZ2  TRP  11           HZ2      TRP  11   4.095   6.446  -3.676
  104    HZ3  TRP  11           HZ3      TRP  11   0.115   7.934  -3.283
  105    HH2  TRP  11           HH2      TRP  11   2.197   7.742  -4.547
  106    H    LEU  12           HN       LEU  12   0.761   2.513  -0.960
  107    HA   LEU  12           HA       LEU  12  -1.340   3.680  -2.536
  108    HB2  LEU  12           HB2      LEU  12   0.536   1.374  -3.067
  109    HB3  LEU  12           HB1      LEU  12  -0.628   1.967  -4.236
  110    HG   LEU  12           HG       LEU  12   1.630   3.595  -3.073
  111   HD11  LEU  12          HD11      LEU  12   2.441   1.804  -4.532
  112   HD12  LEU  12          HD12      LEU  12   2.657   3.390  -5.269
  113   HD13  LEU  12          HD13      LEU  12   1.342   2.341  -5.801
  114   HD21  LEU  12          HD21      LEU  12   1.022   5.164  -4.887
  115   HD22  LEU  12          HD22      LEU  12  -0.234   4.975  -3.665
  116   HD23  LEU  12          HD23      LEU  12  -0.396   4.169  -5.225
  117    H    THR  13           HN       THR  13  -0.905   0.996  -0.529
  118    HA   THR  13           HA       THR  13  -3.209  -0.460  -1.447
  119    HB   THR  13           HB       THR  13  -0.954  -0.835   0.437
  120    HG1  THR  13           HG1      THR  13  -0.754  -2.729  -0.691
  121   HG21  THR  13          HG21      THR  13  -3.523  -2.356   0.756
  122   HG22  THR  13          HG22      THR  13  -2.784  -1.257   1.922
  123   HG23  THR  13          HG23      THR  13  -1.979  -2.768   1.503
  124    H    ASN  14           HN       ASN  14  -2.513   2.086   0.701
  125    HA   ASN  14           HA       ASN  14  -4.853   1.542   2.378
  126    HB2  ASN  14           HB2      ASN  14  -2.343   3.036   2.752
  127    HB3  ASN  14           HB1      ASN  14  -3.774   3.773   3.462
  128   HD21  ASN  14          HD21      ASN  14  -1.642   1.028   3.502
  129   HD22  ASN  14          HD22      ASN  14  -2.177   0.391   5.022
  130    H    LYS  15           HN       LYS  15  -3.406   4.331   0.662
  131    HA   LYS  15           HA       LYS  15  -5.618   6.017   1.159
  132    HB2  LYS  15           HB2      LYS  15  -4.572   7.595  -0.309
  133    HB3  LYS  15           HB1      LYS  15  -3.352   6.862   0.710
  134    HG2  LYS  15           HG2      LYS  15  -2.274   6.855  -1.295
  135    HG3  LYS  15           HG1      LYS  15  -3.054   5.279  -1.369
  136    HD2  LYS  15           HD2      LYS  15  -3.553   6.148  -3.443
  137    HD3  LYS  15           HD1      LYS  15  -4.987   6.580  -2.509
  138    HE2  LYS  15           HE2      LYS  15  -2.642   8.421  -2.970
  139    HE3  LYS  15           HE1      LYS  15  -4.096   8.404  -3.959
  140    HZ1  LYS  15           HZ1      LYS  15  -3.977   9.015  -1.056
  141    HZ2  LYS  15           HZ2      LYS  15  -5.389   8.974  -1.986
  142    HZ3  LYS  15           HZ3      LYS  15  -4.203  10.137  -2.298
  143    H    VAL  16           HN       VAL  16  -5.029   3.684  -1.217
  144    HA   VAL  16           HA       VAL  16  -6.490   4.377  -3.389
  145    HB   VAL  16           HB       VAL  16  -5.369   2.290  -3.417
  146   HG11  VAL  16          HG11      VAL  16  -7.209   1.376  -1.208
  147   HG12  VAL  16          HG12      VAL  16  -5.500   1.784  -1.028
  148   HG13  VAL  16          HG13      VAL  16  -5.980   0.395  -2.008
  149   HG21  VAL  16          HG21      VAL  16  -7.326   2.333  -4.831
  150   HG22  VAL  16          HG22      VAL  16  -8.352   1.827  -3.487
  151   HG23  VAL  16          HG23      VAL  16  -7.143   0.717  -4.142
  152    HA   PRO  17           HA       PRO  17 -10.586   5.055  -1.628
  153    HB2  PRO  17           HB2      PRO  17 -11.648   5.879  -4.022
  154    HB3  PRO  17           HB1      PRO  17 -10.815   6.945  -2.887
  155    HG2  PRO  17           HG2      PRO  17  -9.795   5.655  -5.375
  156    HG3  PRO  17           HG1      PRO  17  -9.477   7.277  -4.740
  157    HD2  PRO  17           HD2      PRO  17  -7.700   5.255  -4.500
  158    HD3  PRO  17           HD1      PRO  17  -7.862   6.524  -3.276
  159    H    ILE  18           HN       ILE  18 -11.795   3.352  -1.304
  160    HA   ILE  18           HA       ILE  18 -11.978   1.256  -3.313
  161    HB   ILE  18           HB       ILE  18 -13.125  -0.032  -1.491
  162   HG12  ILE  18          HG12      ILE  18 -12.310   2.354   0.185
  163   HG13  ILE  18          HG11      ILE  18 -13.963   1.897  -0.208
  164   HG21  ILE  18          HG21      ILE  18 -10.375   1.060  -0.903
  165   HG22  ILE  18          HG22      ILE  18 -10.760  -0.317  -1.936
  166   HG23  ILE  18          HG23      ILE  18 -11.060  -0.406  -0.201
  167   HD11  ILE  18          HD11      ILE  18 -13.383   1.227   2.043
  168   HD12  ILE  18          HD12      ILE  18 -12.024   0.286   1.431
  169   HD13  ILE  18          HD13      ILE  18 -13.676  -0.185   1.030
  170    H    LYS  19           HN       LYS  19 -13.297   3.475  -4.135
  171    HA   LYS  19           HA       LYS  19 -16.140   2.929  -3.649
  172    HB2  LYS  19           HB2      LYS  19 -14.757   5.289  -4.930
  173    HB3  LYS  19           HB1      LYS  19 -16.500   5.092  -4.852
  174    HG2  LYS  19           HG2      LYS  19 -14.627   5.336  -2.506
  175    HG3  LYS  19           HG1      LYS  19 -15.735   6.577  -3.098
  176    HD2  LYS  19           HD2      LYS  19 -17.634   5.097  -2.596
  177    HD3  LYS  19           HD1      LYS  19 -16.514   3.885  -1.976
  178    HE2  LYS  19           HE2      LYS  19 -15.750   5.506  -0.278
  179    HE3  LYS  19           HE1      LYS  19 -16.948   6.656  -0.870
  180    HZ1  LYS  19           HZ1      LYS  19 -18.697   5.145  -0.253
  181    HZ2  LYS  19           HZ2      LYS  19 -17.707   5.420   1.089
  182    HZ3  LYS  19           HZ3      LYS  19 -17.580   3.969   0.230
  183    H    ARG  20           HN       ARG  20 -13.772   2.005  -5.597
  184    HA   ARG  20           HA       ARG  20 -14.799   1.993  -8.199
  185    HB2  ARG  20           HB2      ARG  20 -13.084  -0.065  -6.791
  186    HB3  ARG  20           HB1      ARG  20 -13.301   0.057  -8.527
  187    HG2  ARG  20           HG2      ARG  20 -12.167   2.300  -6.897
  188    HG3  ARG  20           HG1      ARG  20 -11.177   0.998  -7.549
  189    HD2  ARG  20           HD2      ARG  20 -11.131   2.916  -9.037
  190    HD3  ARG  20           HD1      ARG  20 -11.938   1.556  -9.808
  191    HE   ARG  20           HE       ARG  20 -13.624   3.543  -8.498
  192   HH11  ARG  20          HH11      ARG  20 -12.288   2.260 -11.469
  193   HH12  ARG  20          HH12      ARG  20 -13.471   3.024 -12.481
  194   HH21  ARG  20          HH21      ARG  20 -15.203   4.530  -9.824
  195   HH22  ARG  20          HH22      ARG  20 -15.130   4.311 -11.545
  196    HA   PRO  21           HA       PRO  21 -17.951  -1.174  -8.049
  197    HB2  PRO  21           HB2      PRO  21 -16.985  -2.367 -10.537
  198    HB3  PRO  21           HB1      PRO  21 -18.480  -1.480 -10.234
  199    HG2  PRO  21           HG2      PRO  21 -16.473  -0.470 -11.732
  200    HG3  PRO  21           HG1      PRO  21 -17.536   0.551 -10.747
  201    HD2  PRO  21           HD2      PRO  21 -14.757  -0.409 -10.169
  202    HD3  PRO  21           HD1      PRO  21 -15.478   1.192  -9.896
  203    H    SER  22           HN       SER  22 -15.578  -1.790  -6.621
  204    HA   SER  22           HA       SER  22 -14.767  -3.531  -5.435
  205    HB2  SER  22           HB2      SER  22 -17.083  -4.518  -5.765
  206    HB3  SER  22           HB1      SER  22 -16.415  -5.415  -7.128
  207    HG   SER  22           HG       SER  22 -15.961  -6.814  -5.615
  Start of MODEL   18
    1    H1   LEU   1           HT1      LEU   1  14.907  -7.889   3.655
    2    H2   LEU   1           HT2      LEU   1  14.488  -8.594   2.181
    3    H3   LEU   1           HT3      LEU   1  13.969  -9.295   3.628
    4    HA   LEU   1           HA       LEU   1  12.175  -8.111   2.550
    5    HB2  LEU   1           HB2      LEU   1  13.215  -6.847   5.087
    6    HB3  LEU   1           HB1      LEU   1  11.604  -6.586   4.451
    7    HG   LEU   1           HG       LEU   1  12.709  -9.251   5.348
    8   HD11  LEU   1          HD11      LEU   1  12.352  -7.708   7.208
    9   HD12  LEU   1          HD12      LEU   1  11.178  -9.023   7.227
   10   HD13  LEU   1          HD13      LEU   1  10.700  -7.423   6.658
   11   HD21  LEU   1          HD21      LEU   1  10.377 -10.008   5.128
   12   HD22  LEU   1          HD22      LEU   1  11.067  -9.512   3.583
   13   HD23  LEU   1          HD23      LEU   1   9.949  -8.444   4.433
   14    H    ARG   2           HN       ARG   2  11.330  -6.202   1.699
   15    HA   ARG   2           HA       ARG   2  13.375  -4.262   0.871
   16    HB2  ARG   2           HB2      ARG   2  10.921  -5.346  -0.363
   17    HB3  ARG   2           HB1      ARG   2  11.210  -3.635  -0.629
   18    HG2  ARG   2           HG2      ARG   2  12.077  -5.058  -2.432
   19    HG3  ARG   2           HG1      ARG   2  13.335  -4.103  -1.655
   20    HD2  ARG   2           HD2      ARG   2  14.014  -6.059  -0.357
   21    HD3  ARG   2           HD1      ARG   2  12.721  -7.004  -1.091
   22    HE   ARG   2           HE       ARG   2  14.467  -5.855  -3.040
   23   HH11  ARG   2          HH11      ARG   2  14.122  -8.517  -0.798
   24   HH12  ARG   2          HH12      ARG   2  15.137  -9.587  -1.711
   25   HH21  ARG   2          HH21      ARG   2  15.811  -7.258  -4.240
   26   HH22  ARG   2          HH22      ARG   2  16.094  -8.871  -3.666
   27    H    LEU   3           HN       LEU   3  13.081  -2.092   1.138
   28    HA   LEU   3           HA       LEU   3  11.248  -1.329   3.253
   29    HB2  LEU   3           HB2      LEU   3  13.512  -0.575   3.500
   30    HB3  LEU   3           HB1      LEU   3  13.514   0.107   1.886
   31    HG   LEU   3           HG       LEU   3  11.903   1.812   2.588
   32   HD11  LEU   3          HD11      LEU   3  11.301   2.061   4.928
   33   HD12  LEU   3          HD12      LEU   3  12.170   0.579   5.323
   34   HD13  LEU   3          HD13      LEU   3  10.740   0.516   4.291
   35   HD21  LEU   3          HD21      LEU   3  14.304   1.616   4.398
   36   HD22  LEU   3          HD22      LEU   3  13.385   3.081   4.060
   37   HD23  LEU   3          HD23      LEU   3  14.284   2.286   2.768
   38    H    ILE   4           HN       ILE   4  12.169  -0.058   0.084
   39    HA   ILE   4           HA       ILE   4  10.113   1.875   0.023
   40    HB   ILE   4           HB       ILE   4  11.915   0.762  -2.086
   41   HG12  ILE   4          HG12      ILE   4  12.866   2.189  -0.303
   42   HG13  ILE   4          HG11      ILE   4  13.004   2.919  -1.900
   43   HG21  ILE   4          HG21      ILE   4   9.848   2.926  -2.415
   44   HG22  ILE   4          HG22      ILE   4   9.915   1.379  -3.265
   45   HG23  ILE   4          HG23      ILE   4  11.153   2.602  -3.557
   46   HD11  ILE   4          HD11      ILE   4  11.019   4.307  -1.379
   47   HD12  ILE   4          HD12      ILE   4  12.389   4.599  -0.309
   48   HD13  ILE   4          HD13      ILE   4  11.025   3.632   0.250
   49    H    HIS   5           HN       HIS   5  10.286  -1.426  -1.079
   50    HA   HIS   5           HA       HIS   5   7.885  -1.276  -2.654
   51    HB2  HIS   5           HB2      HIS   5   9.319  -3.728  -1.604
   52    HB3  HIS   5           HB1      HIS   5   8.098  -3.700  -2.871
   53    HD1  HIS   5           HD1      HIS   5   8.972  -3.517  -5.208
   54    HD2  HIS   5           HD2      HIS   5  11.720  -2.227  -2.374
   55    HE1  HIS   5           HE1      HIS   5  11.090  -3.032  -6.478
   56    HE2  HIS   5           HE2      HIS   5  12.772  -2.369  -4.734
   57    H    ALA   6           HN       ALA   6   8.686  -1.750   0.636
   58    HA   ALA   6           HA       ALA   6   6.132  -2.880   1.395
   59    HB1  ALA   6           HB1      ALA   6   8.197  -3.421   2.647
   60    HB2  ALA   6           HB2      ALA   6   6.968  -2.673   3.670
   61    HB3  ALA   6           HB3      ALA   6   8.341  -1.721   3.101
   62    H    VAL   7           HN       VAL   7   7.864   0.144   1.385
   63    HA   VAL   7           HA       VAL   7   6.031   1.814   2.611
   64    HB   VAL   7           HB       VAL   7   8.075   2.258   0.457
   65   HG11  VAL   7          HG11      VAL   7   7.703   4.716   0.748
   66   HG12  VAL   7          HG12      VAL   7   6.194   4.331   1.578
   67   HG13  VAL   7          HG13      VAL   7   6.415   3.872  -0.115
   68   HG21  VAL   7          HG21      VAL   7   9.172   3.559   2.229
   69   HG22  VAL   7          HG22      VAL   7   8.890   1.881   2.690
   70   HG23  VAL   7          HG23      VAL   7   7.845   3.154   3.319
   71    H    ARG   8           HN       ARG   8   6.397   1.096  -0.847
   72    HA   ARG   8           HA       ARG   8   4.134   2.602  -1.602
   73    HB2  ARG   8           HB2      ARG   8   5.633   0.428  -3.046
   74    HB3  ARG   8           HB1      ARG   8   4.401   1.446  -3.788
   75    HG2  ARG   8           HG2      ARG   8   5.743   3.427  -3.286
   76    HG3  ARG   8           HG1      ARG   8   6.981   2.403  -2.557
   77    HD2  ARG   8           HD2      ARG   8   7.245   1.250  -4.730
   78    HD3  ARG   8           HD1      ARG   8   6.078   2.366  -5.437
   79    HE   ARG   8           HE       ARG   8   7.837   4.094  -4.506
   80   HH11  ARG   8          HH11      ARG   8   8.396   1.058  -6.158
   81   HH12  ARG   8          HH12      ARG   8   9.891   1.570  -6.868
   82   HH21  ARG   8          HH21      ARG   8   9.819   4.771  -5.429
   83   HH22  ARG   8          HH22      ARG   8  10.710   3.679  -6.443
   84    H    GLY   9           HN       GLY   9   4.613  -0.818  -0.895
   85    HA2  GLY   9           HA2      GLY   9   1.913  -1.576  -1.452
   86    HA3  GLY   9           HA1      GLY   9   3.084  -2.506  -0.523
   87    H    TYR  10           HN       TYR  10   3.173   0.370   0.902
   88    HA   TYR  10           HA       TYR  10   1.165  -0.295   2.886
   89    HB2  TYR  10           HB2      TYR  10   3.076   0.296   4.010
   90    HB3  TYR  10           HB1      TYR  10   3.591   1.414   2.761
   91    HD1  TYR  10           HD1      TYR  10   0.939   1.092   5.388
   92    HD2  TYR  10           HD2      TYR  10   3.529   3.637   3.184
   93    HE1  TYR  10           HE1      TYR  10   0.249   2.996   6.790
   94    HE2  TYR  10           HE2      TYR  10   2.850   5.545   4.567
   95    HH   TYR  10           HH       TYR  10   1.252   5.228   7.481
   96    H    TRP  11           HN       TRP  11   2.094   2.667   1.041
   97    HA   TRP  11           HA       TRP  11  -0.395   3.855   1.866
   98    HB2  TRP  11           HB2      TRP  11   0.360   5.892   0.756
   99    HB3  TRP  11           HB1      TRP  11   1.561   5.260   1.868
  100    HD1  TRP  11           HD1      TRP  11   3.791   4.158   0.713
  101    HE1  TRP  11           HE1      TRP  11   4.938   4.739  -1.517
  102    HE3  TRP  11           HE3      TRP  11  -0.067   6.593  -1.555
  103    HZ2  TRP  11           HZ2      TRP  11   4.288   6.065  -3.920
  104    HZ3  TRP  11           HZ3      TRP  11   0.271   7.507  -3.817
  105    HH2  TRP  11           HH2      TRP  11   2.406   7.245  -4.977
  106    H    LEU  12           HN       LEU  12   0.710   2.288  -1.048
  107    HA   LEU  12           HA       LEU  12  -1.364   3.408  -2.710
  108    HB2  LEU  12           HB2      LEU  12   0.441   1.012  -3.084
  109    HB3  LEU  12           HB1      LEU  12  -0.701   1.574  -4.289
  110    HG   LEU  12           HG       LEU  12   1.623   3.186  -3.237
  111   HD11  LEU  12          HD11      LEU  12   2.638   2.779  -5.420
  112   HD12  LEU  12          HD12      LEU  12   1.283   1.743  -5.867
  113   HD13  LEU  12          HD13      LEU  12   2.367   1.263  -4.561
  114   HD21  LEU  12          HD21      LEU  12   1.088   4.654  -5.136
  115   HD22  LEU  12          HD22      LEU  12  -0.209   4.573  -3.943
  116   HD23  LEU  12          HD23      LEU  12  -0.349   3.681  -5.459
  117    H    THR  13           HN       THR  13  -0.956   0.938  -0.472
  118    HA   THR  13           HA       THR  13  -3.289  -0.582  -1.183
  119    HB   THR  13           HB       THR  13  -1.274  -0.749   1.064
  120    HG1  THR  13           HG1      THR  13  -0.206  -2.153  -0.222
  121   HG21  THR  13          HG21      THR  13  -3.299  -2.742   0.129
  122   HG22  THR  13          HG22      THR  13  -3.338  -1.837   1.638
  123   HG23  THR  13          HG23      THR  13  -2.060  -3.012   1.351
  124    H    ASN  14           HN       ASN  14  -2.589   2.212   0.552
  125    HA   ASN  14           HA       ASN  14  -4.639   1.746   2.595
  126    HB2  ASN  14           HB2      ASN  14  -2.146   3.222   2.516
  127    HB3  ASN  14           HB1      ASN  14  -3.478   4.193   3.125
  128   HD21  ASN  14          HD21      ASN  14  -1.529   1.363   3.629
  129   HD22  ASN  14          HD22      ASN  14  -1.982   1.098   5.281
  130    H    LYS  15           HN       LYS  15  -3.641   4.257   0.265
  131    HA   LYS  15           HA       LYS  15  -5.694   6.085   0.795
  132    HB2  LYS  15           HB2      LYS  15  -4.420   5.615  -1.900
  133    HB3  LYS  15           HB1      LYS  15  -5.160   7.099  -1.320
  134    HG2  LYS  15           HG2      LYS  15  -2.651   5.831  -0.264
  135    HG3  LYS  15           HG1      LYS  15  -2.743   7.265  -1.291
  136    HD2  LYS  15           HD2      LYS  15  -4.187   8.280   0.562
  137    HD3  LYS  15           HD1      LYS  15  -3.617   6.948   1.569
  138    HE2  LYS  15           HE2      LYS  15  -2.198   8.823   1.978
  139    HE3  LYS  15           HE1      LYS  15  -1.280   7.653   1.033
  140    HZ1  LYS  15           HZ1      LYS  15  -1.814   8.957  -0.965
  141    HZ2  LYS  15           HZ2      LYS  15  -0.931   9.850   0.167
  142    HZ3  LYS  15           HZ3      LYS  15  -2.593  10.107   0.001
  143    H    VAL  16           HN       VAL  16  -5.508   3.453  -1.460
  144    HA   VAL  16           HA       VAL  16  -7.946   3.652  -2.734
  145    HB   VAL  16           HB       VAL  16  -6.316   2.147  -3.571
  146   HG11  VAL  16          HG11      VAL  16  -6.467   0.648  -0.957
  147   HG12  VAL  16          HG12      VAL  16  -5.179   1.771  -1.404
  148   HG13  VAL  16          HG13      VAL  16  -5.416   0.277  -2.327
  149   HG21  VAL  16          HG21      VAL  16  -7.523  -0.019  -3.656
  150   HG22  VAL  16          HG22      VAL  16  -8.568   1.368  -3.961
  151   HG23  VAL  16          HG23      VAL  16  -8.604   0.569  -2.390
  152    HA   PRO  17           HA       PRO  17 -10.714   2.638   0.695
  153    HB2  PRO  17           HB2      PRO  17 -12.928   2.648  -0.988
  154    HB3  PRO  17           HB1      PRO  17 -12.347   4.026  -0.053
  155    HG2  PRO  17           HG2      PRO  17 -12.028   3.425  -2.929
  156    HG3  PRO  17           HG1      PRO  17 -12.089   4.989  -2.105
  157    HD2  PRO  17           HD2      PRO  17  -9.793   3.849  -3.072
  158    HD3  PRO  17           HD1      PRO  17  -9.826   5.016  -1.743
  159    H    ILE  18           HN       ILE  18 -10.780   0.621   1.292
  160    HA   ILE  18           HA       ILE  18 -11.298  -1.491  -0.693
  161    HB   ILE  18           HB       ILE  18  -9.834  -2.939   0.836
  162   HG12  ILE  18          HG12      ILE  18  -8.831  -0.213   1.683
  163   HG13  ILE  18          HG11      ILE  18  -9.784  -1.288   2.700
  164   HG21  ILE  18          HG21      ILE  18  -8.547  -0.728  -0.756
  165   HG22  ILE  18          HG22      ILE  18  -9.160  -2.250  -1.401
  166   HG23  ILE  18          HG23      ILE  18  -7.782  -2.250  -0.301
  167   HD11  ILE  18          HD11      ILE  18  -7.986  -2.949   2.595
  168   HD12  ILE  18          HD12      ILE  18  -7.438  -1.413   3.267
  169   HD13  ILE  18          HD13      ILE  18  -7.037  -1.841   1.603
  170    H    LYS  19           HN       LYS  19 -13.350  -0.361   0.681
  171    HA   LYS  19           HA       LYS  19 -13.925  -1.858   3.076
  172    HB2  LYS  19           HB2      LYS  19 -15.602   0.002   1.389
  173    HB3  LYS  19           HB1      LYS  19 -16.184  -0.767   2.858
  174    HG2  LYS  19           HG2      LYS  19 -13.798   1.064   2.723
  175    HG3  LYS  19           HG1      LYS  19 -15.426   1.566   3.187
  176    HD2  LYS  19           HD2      LYS  19 -15.305  -0.224   4.985
  177    HD3  LYS  19           HD1      LYS  19 -13.586  -0.343   4.611
  178    HE2  LYS  19           HE2      LYS  19 -15.029   2.153   5.497
  179    HE3  LYS  19           HE1      LYS  19 -14.014   1.140   6.518
  180    HZ1  LYS  19           HZ1      LYS  19 -12.825   3.083   5.724
  181    HZ2  LYS  19           HZ2      LYS  19 -13.098   2.632   4.119
  182    HZ3  LYS  19           HZ3      LYS  19 -12.126   1.672   5.113
  183    H    ARG  20           HN       ARG  20 -14.632  -2.044  -0.323
  184    HA   ARG  20           HA       ARG  20 -16.405  -4.334   0.050
  185    HB2  ARG  20           HB2      ARG  20 -15.486  -2.894  -2.453
  186    HB3  ARG  20           HB1      ARG  20 -16.547  -4.292  -2.458
  187    HG2  ARG  20           HG2      ARG  20 -17.998  -2.498  -2.685
  188    HG3  ARG  20           HG1      ARG  20 -18.087  -2.881  -0.966
  189    HD2  ARG  20           HD2      ARG  20 -16.528  -1.079  -0.470
  190    HD3  ARG  20           HD1      ARG  20 -16.380  -0.718  -2.189
  191    HE   ARG  20           HE       ARG  20 -19.057  -0.581  -1.075
  192   HH11  ARG  20          HH11      ARG  20 -16.144   1.156  -1.937
  193   HH12  ARG  20          HH12      ARG  20 -16.948   2.683  -2.094
  194   HH21  ARG  20          HH21      ARG  20 -20.119   1.432  -1.264
  195   HH22  ARG  20          HH22      ARG  20 -19.211   2.838  -1.720
  196    HA   PRO  21           HA       PRO  21 -13.078  -7.184  -0.647
  197    HB2  PRO  21           HB2      PRO  21 -14.411  -9.388  -1.378
  198    HB3  PRO  21           HB1      PRO  21 -14.562  -8.723   0.254
  199    HG2  PRO  21           HG2      PRO  21 -16.422  -8.466  -2.075
  200    HG3  PRO  21           HG1      PRO  21 -16.802  -8.744  -0.367
  201    HD2  PRO  21           HD2      PRO  21 -16.941  -6.290  -1.610
  202    HD3  PRO  21           HD1      PRO  21 -16.713  -6.517   0.135
  203    H    SER  22           HN       SER  22 -13.777  -5.398  -2.865
  204    HA   SER  22           HA       SER  22 -12.598  -6.900  -5.032
  205    HB2  SER  22           HB2      SER  22 -15.284  -5.533  -5.380
  206    HB3  SER  22           HB1      SER  22 -14.351  -6.327  -6.648
  207    HG   SER  22           HG       SER  22 -14.602  -8.095  -4.725
  Start of MODEL   19
    1    H1   LEU   1           HT1      LEU   1   9.866  -8.454   2.641
    2    H2   LEU   1           HT2      LEU   1  10.657  -7.745   1.331
    3    H3   LEU   1           HT3      LEU   1   9.940  -6.773   2.508
    4    HA   LEU   1           HA       LEU   1  11.491  -7.505   4.154
    5    HB2  LEU   1           HB2      LEU   1  12.379  -9.302   1.926
    6    HB3  LEU   1           HB1      LEU   1  13.522  -8.812   3.157
    7    HG   LEU   1           HG       LEU   1  11.978  -9.792   4.876
    8   HD11  LEU   1          HD11      LEU   1   9.897  -9.784   3.683
    9   HD12  LEU   1          HD12      LEU   1  10.331 -11.450   4.061
   10   HD13  LEU   1          HD13      LEU   1  10.563 -10.829   2.429
   11   HD21  LEU   1          HD21      LEU   1  12.614 -12.111   4.394
   12   HD22  LEU   1          HD22      LEU   1  13.944 -10.987   4.113
   13   HD23  LEU   1          HD23      LEU   1  13.039 -11.643   2.748
   14    H    ARG   2           HN       ARG   2  11.047  -5.281   2.520
   15    HA   ARG   2           HA       ARG   2  13.725  -4.182   2.445
   16    HB2  ARG   2           HB2      ARG   2  12.966  -5.184   0.098
   17    HB3  ARG   2           HB1      ARG   2  12.070  -3.675   0.010
   18    HG2  ARG   2           HG2      ARG   2  14.094  -3.267  -1.091
   19    HG3  ARG   2           HG1      ARG   2  14.262  -2.505   0.488
   20    HD2  ARG   2           HD2      ARG   2  16.300  -3.635   0.065
   21    HD3  ARG   2           HD1      ARG   2  15.427  -4.602   1.252
   22    HE   ARG   2           HE       ARG   2  14.840  -5.505  -1.363
   23   HH11  ARG   2          HH11      ARG   2  17.393  -5.537   1.029
   24   HH12  ARG   2          HH12      ARG   2  18.123  -6.984   0.412
   25   HH21  ARG   2          HH21      ARG   2  15.796  -7.415  -2.175
   26   HH22  ARG   2          HH22      ARG   2  17.213  -8.052  -1.405
   27    H    LEU   3           HN       LEU   3  13.424  -1.694   1.741
   28    HA   LEU   3           HA       LEU   3  11.365  -0.732   3.505
   29    HB2  LEU   3           HB2      LEU   3  13.538   0.300   3.631
   30    HB3  LEU   3           HB1      LEU   3  13.476   0.721   1.929
   31    HG   LEU   3           HG       LEU   3  11.668   2.296   2.346
   32   HD11  LEU   3          HD11      LEU   3  10.565   1.114   4.162
   33   HD12  LEU   3          HD12      LEU   3  10.925   2.782   4.619
   34   HD13  LEU   3          HD13      LEU   3  11.926   1.465   5.231
   35   HD21  LEU   3          HD21      LEU   3  12.899   3.930   3.690
   36   HD22  LEU   3          HD22      LEU   3  13.955   3.102   2.544
   37   HD23  LEU   3          HD23      LEU   3  13.980   2.653   4.250
   38    H    ILE   4           HN       ILE   4  12.279   0.309   0.252
   39    HA   ILE   4           HA       ILE   4   9.978   1.808  -0.202
   40    HB   ILE   4           HB       ILE   4  11.986   0.615  -2.071
   41   HG12  ILE   4          HG12      ILE   4  12.712   2.390  -0.519
   42   HG13  ILE   4          HG11      ILE   4  12.800   2.899  -2.202
   43   HG21  ILE   4          HG21      ILE   4  11.089   2.075  -3.835
   44   HG22  ILE   4          HG22      ILE   4   9.725   2.470  -2.787
   45   HG23  ILE   4          HG23      ILE   4   9.955   0.814  -3.351
   46   HD11  ILE   4          HD11      ILE   4  10.689   3.651  -0.199
   47   HD12  ILE   4          HD12      ILE   4  10.654   4.083  -1.907
   48   HD13  ILE   4          HD13      ILE   4  11.943   4.692  -0.872
   49    H    HIS   5           HN       HIS   5  10.611  -1.573  -0.818
   50    HA   HIS   5           HA       HIS   5   8.340  -1.963  -2.522
   51    HB2  HIS   5           HB2      HIS   5   9.972  -4.017  -1.009
   52    HB3  HIS   5           HB1      HIS   5   8.832  -4.362  -2.306
   53    HD1  HIS   5           HD1      HIS   5   9.800  -4.423  -4.619
   54    HD2  HIS   5           HD2      HIS   5  12.214  -2.375  -1.923
   55    HE1  HIS   5           HE1      HIS   5  11.883  -3.818  -5.896
   56    HE2  HIS   5           HE2      HIS   5  13.403  -2.748  -4.193
   57    H    ALA   6           HN       ALA   6   8.869  -1.786   0.822
   58    HA   ALA   6           HA       ALA   6   6.332  -3.012   1.536
   59    HB1  ALA   6           HB1      ALA   6   8.300  -3.346   2.973
   60    HB2  ALA   6           HB2      ALA   6   7.010  -2.500   3.830
   61    HB3  ALA   6           HB3      ALA   6   8.408  -1.602   3.226
   62    H    VAL   7           HN       VAL   7   7.937   0.081   1.314
   63    HA   VAL   7           HA       VAL   7   6.041   1.765   2.422
   64    HB   VAL   7           HB       VAL   7   8.110   2.164   0.288
   65   HG11  VAL   7          HG11      VAL   7   6.137   4.207   1.283
   66   HG12  VAL   7          HG12      VAL   7   6.468   3.731  -0.390
   67   HG13  VAL   7          HG13      VAL   7   7.675   4.632   0.534
   68   HG21  VAL   7          HG21      VAL   7   8.904   1.885   2.539
   69   HG22  VAL   7          HG22      VAL   7   7.812   3.144   3.116
   70   HG23  VAL   7          HG23      VAL   7   9.144   3.557   2.033
   71    H    ARG   8           HN       ARG   8   6.493   0.972  -1.007
   72    HA   ARG   8           HA       ARG   8   4.388   2.583  -1.893
   73    HB2  ARG   8           HB2      ARG   8   5.760   0.233  -3.173
   74    HB3  ARG   8           HB1      ARG   8   4.618   1.279  -4.017
   75    HG2  ARG   8           HG2      ARG   8   6.068   3.200  -3.592
   76    HG3  ARG   8           HG1      ARG   8   7.207   2.155  -2.744
   77    HD2  ARG   8           HD2      ARG   8   7.968   2.545  -5.015
   78    HD3  ARG   8           HD1      ARG   8   7.518   0.853  -4.812
   79    HE   ARG   8           HE       ARG   8   5.655   2.783  -6.025
   80   HH11  ARG   8          HH11      ARG   8   7.524  -0.173  -6.213
   81   HH12  ARG   8          HH12      ARG   8   6.771  -0.704  -7.681
   82   HH21  ARG   8          HH21      ARG   8   4.665   2.079  -7.961
   83   HH22  ARG   8          HH22      ARG   8   5.145   0.572  -8.673
   84    H    GLY   9           HN       GLY   9   4.470  -0.872  -1.141
   85    HA2  GLY   9           HA2      GLY   9   1.740  -1.304  -1.873
   86    HA3  GLY   9           HA1      GLY   9   2.743  -2.399  -0.930
   87    H    TYR  10           HN       TYR  10   3.173   0.222   0.749
   88    HA   TYR  10           HA       TYR  10   1.185  -0.452   2.707
   89    HB2  TYR  10           HB2      TYR  10   3.167   0.010   3.769
   90    HB3  TYR  10           HB1      TYR  10   3.643   1.208   2.582
   91    HD1  TYR  10           HD1      TYR  10   3.508   3.439   3.060
   92    HD2  TYR  10           HD2      TYR  10   1.294   0.703   5.444
   93    HE1  TYR  10           HE1      TYR  10   2.936   5.261   4.600
   94    HE2  TYR  10           HE2      TYR  10   0.707   2.522   6.995
   95    HH   TYR  10           HH       TYR  10   1.314   5.837   6.249
   96    H    TRP  11           HN       TRP  11   2.058   2.604   1.020
   97    HA   TRP  11           HA       TRP  11  -0.346   3.797   2.062
   98    HB2  TRP  11           HB2      TRP  11   0.375   5.862   0.965
   99    HB3  TRP  11           HB1      TRP  11   1.639   5.171   1.968
  100    HD1  TRP  11           HD1      TRP  11   3.712   3.971   0.595
  101    HE1  TRP  11           HE1      TRP  11   4.733   4.603  -1.682
  102    HE3  TRP  11           HE3      TRP  11  -0.140   6.752  -1.274
  103    HZ2  TRP  11           HZ2      TRP  11   4.005   6.088  -3.956
  104    HZ3  TRP  11           HZ3      TRP  11   0.106   7.760  -3.506
  105    HH2  TRP  11           HH2      TRP  11   2.137   7.433  -4.820
  106    H    LEU  12           HN       LEU  12   0.708   2.574  -1.077
  107    HA   LEU  12           HA       LEU  12  -1.401   3.668  -2.587
  108    HB2  LEU  12           HB2      LEU  12   0.225   1.166  -3.010
  109    HB3  LEU  12           HB1      LEU  12  -0.902   1.812  -4.191
  110    HG   LEU  12           HG       LEU  12   1.476   3.333  -3.137
  111   HD11  LEU  12          HD11      LEU  12   2.213   1.348  -4.363
  112   HD12  LEU  12          HD12      LEU  12   2.546   2.820  -5.275
  113   HD13  LEU  12          HD13      LEU  12   1.179   1.797  -5.720
  114   HD21  LEU  12          HD21      LEU  12  -0.395   3.804  -5.452
  115   HD22  LEU  12          HD22      LEU  12   1.051   4.751  -5.104
  116   HD23  LEU  12          HD23      LEU  12  -0.296   4.750  -3.967
  117    H    THR  13           HN       THR  13  -1.246   0.944  -0.466
  118    HA   THR  13           HA       THR  13  -3.807  -0.095  -1.391
  119    HB   THR  13           HB       THR  13  -1.676  -1.425  -0.507
  120    HG1  THR  13           HG1      THR  13  -3.124  -2.870  -1.052
  121   HG21  THR  13          HG21      THR  13  -2.072  -2.214   1.802
  122   HG22  THR  13          HG22      THR  13  -3.343  -1.000   1.969
  123   HG23  THR  13          HG23      THR  13  -1.668  -0.497   1.726
  124    H    ASN  14           HN       ASN  14  -2.696   2.182   0.840
  125    HA   ASN  14           HA       ASN  14  -4.830   1.637   2.775
  126    HB2  ASN  14           HB2      ASN  14  -2.145   2.744   2.941
  127    HB3  ASN  14           HB1      ASN  14  -3.341   3.705   3.804
  128   HD21  ASN  14          HD21      ASN  14  -1.616   0.733   3.663
  129   HD22  ASN  14          HD22      ASN  14  -2.134   0.107   5.192
  130    H    LYS  15           HN       LYS  15  -3.401   4.429   1.077
  131    HA   LYS  15           HA       LYS  15  -5.216   6.345   2.037
  132    HB2  LYS  15           HB2      LYS  15  -3.884   6.466  -0.667
  133    HB3  LYS  15           HB1      LYS  15  -4.340   7.808   0.372
  134    HG2  LYS  15           HG2      LYS  15  -2.212   5.785   0.995
  135    HG3  LYS  15           HG1      LYS  15  -1.918   7.393   0.332
  136    HD2  LYS  15           HD2      LYS  15  -3.498   7.158   2.842
  137    HD3  LYS  15           HD1      LYS  15  -1.758   6.901   2.925
  138    HE2  LYS  15           HE2      LYS  15  -2.252   9.205   3.403
  139    HE3  LYS  15           HE1      LYS  15  -1.418   9.102   1.862
  140    HZ1  LYS  15           HZ1      LYS  15  -3.271  10.655   1.803
  141    HZ2  LYS  15           HZ2      LYS  15  -4.349   9.419   2.209
  142    HZ3  LYS  15           HZ3      LYS  15  -3.523   9.371   0.734
  143    H    VAL  16           HN       VAL  16  -5.289   4.204  -0.664
  144    HA   VAL  16           HA       VAL  16  -7.525   5.160  -2.038
  145    HB   VAL  16           HB       VAL  16  -6.073   3.609  -3.114
  146   HG11  VAL  16          HG11      VAL  16  -5.664   1.354  -2.321
  147   HG12  VAL  16          HG12      VAL  16  -6.760   1.605  -0.965
  148   HG13  VAL  16          HG13      VAL  16  -5.248   2.516  -1.052
  149   HG21  VAL  16          HG21      VAL  16  -8.683   2.215  -2.511
  150   HG22  VAL  16          HG22      VAL  16  -7.611   1.853  -3.866
  151   HG23  VAL  16          HG23      VAL  16  -8.414   3.421  -3.771
  152    HA   PRO  17           HA       PRO  17 -10.553   3.914   1.080
  153    HB2  PRO  17           HB2      PRO  17 -12.653   5.136  -0.154
  154    HB3  PRO  17           HB1      PRO  17 -11.525   5.989   0.904
  155    HG2  PRO  17           HG2      PRO  17 -11.620   5.888  -2.080
  156    HG3  PRO  17           HG1      PRO  17 -11.266   7.260  -1.014
  157    HD2  PRO  17           HD2      PRO  17  -9.333   5.849  -2.308
  158    HD3  PRO  17           HD1      PRO  17  -9.069   6.640  -0.743
  159    H    ILE  18           HN       ILE  18 -11.147   1.877   0.946
  160    HA   ILE  18           HA       ILE  18 -12.024   0.757  -1.604
  161    HB   ILE  18           HB       ILE  18 -11.996  -1.431  -0.347
  162   HG12  ILE  18          HG12      ILE  18 -10.652   0.259   1.778
  163   HG13  ILE  18          HG11      ILE  18 -12.229  -0.509   1.930
  164   HG21  ILE  18          HG21      ILE  18 -10.166  -0.767  -1.788
  165   HG22  ILE  18          HG22      ILE  18  -9.540  -1.596  -0.364
  166   HG23  ILE  18          HG23      ILE  18  -9.438   0.160  -0.477
  167   HD11  ILE  18          HD11      ILE  18  -9.597  -1.929   1.603
  168   HD12  ILE  18          HD12      ILE  18 -11.174  -2.702   1.758
  169   HD13  ILE  18          HD13      ILE  18 -10.515  -1.764   3.099
  170    H    LYS  19           HN       LYS  19 -13.854   2.447  -1.007
  171    HA   LYS  19           HA       LYS  19 -15.922   1.092   0.586
  172    HB2  LYS  19           HB2      LYS  19 -15.607   4.029  -0.042
  173    HB3  LYS  19           HB1      LYS  19 -16.899   3.327   0.919
  174    HG2  LYS  19           HG2      LYS  19 -15.273   2.568   2.570
  175    HG3  LYS  19           HG1      LYS  19 -13.967   3.239   1.597
  176    HD2  LYS  19           HD2      LYS  19 -14.298   4.898   3.169
  177    HD3  LYS  19           HD1      LYS  19 -15.285   5.463   1.824
  178    HE2  LYS  19           HE2      LYS  19 -16.335   3.899   4.174
  179    HE3  LYS  19           HE1      LYS  19 -16.379   5.653   4.053
  180    HZ1  LYS  19           HZ1      LYS  19 -17.793   3.699   2.325
  181    HZ2  LYS  19           HZ2      LYS  19 -17.713   5.355   1.994
  182    HZ3  LYS  19           HZ3      LYS  19 -18.480   4.811   3.398
  183    H    ARG  20           HN       ARG  20 -15.103   2.099  -2.569
  184    HA   ARG  20           HA       ARG  20 -17.874   2.251  -3.447
  185    HB2  ARG  20           HB2      ARG  20 -15.291   2.521  -4.989
  186    HB3  ARG  20           HB1      ARG  20 -16.881   2.583  -5.729
  187    HG2  ARG  20           HG2      ARG  20 -16.400   4.807  -5.498
  188    HG3  ARG  20           HG1      ARG  20 -17.297   4.497  -4.013
  189    HD2  ARG  20           HD2      ARG  20 -15.172   4.222  -2.811
  190    HD3  ARG  20           HD1      ARG  20 -14.299   4.576  -4.301
  191    HE   ARG  20           HE       ARG  20 -16.186   6.546  -3.223
  192   HH11  ARG  20          HH11      ARG  20 -12.907   5.647  -4.057
  193   HH12  ARG  20          HH12      ARG  20 -12.284   7.253  -3.866
  194   HH21  ARG  20          HH21      ARG  20 -15.369   8.661  -2.971
  195   HH22  ARG  20          HH22      ARG  20 -13.682   8.965  -3.238
  196    HA   PRO  21           HA       PRO  21 -17.720  -2.038  -4.678
  197    HB2  PRO  21           HB2      PRO  21 -20.318  -2.318  -5.254
  198    HB3  PRO  21           HB1      PRO  21 -19.770  -2.134  -3.584
  199    HG2  PRO  21           HG2      PRO  21 -21.072  -0.153  -5.380
  200    HG3  PRO  21           HG1      PRO  21 -21.221  -0.349  -3.625
  201    HD2  PRO  21           HD2      PRO  21 -19.596   1.516  -4.972
  202    HD3  PRO  21           HD1      PRO  21 -19.521   1.107  -3.250
  203    H    SER  22           HN       SER  22 -17.072   0.202  -6.491
  204    HA   SER  22           HA       SER  22 -17.405  -1.143  -8.993
  205    HB2  SER  22           HB2      SER  22 -18.506   0.841 -10.107
  206    HB3  SER  22           HB1      SER  22 -19.550  -0.044  -8.995
  207    HG   SER  22           HG       SER  22 -18.080   2.278  -8.291
  Start of MODEL   20
    1    H1   LEU   1           HT1      LEU   1  13.647  -8.473   3.306
    2    H2   LEU   1           HT2      LEU   1  13.211  -8.982   1.757
    3    H3   LEU   1           HT3      LEU   1  12.308  -9.482   3.096
    4    HA   LEU   1           HA       LEU   1  11.185  -7.765   1.852
    5    HB2  LEU   1           HB2      LEU   1  10.868  -6.171   3.779
    6    HB3  LEU   1           HB1      LEU   1  10.607  -7.864   4.137
    7    HG   LEU   1           HG       LEU   1  13.041  -7.834   5.025
    8   HD11  LEU   1          HD11      LEU   1  12.414  -4.887   5.114
    9   HD12  LEU   1          HD12      LEU   1  13.672  -5.652   4.144
   10   HD13  LEU   1          HD13      LEU   1  13.777  -5.680   5.903
   11   HD21  LEU   1          HD21      LEU   1  12.261  -7.087   7.220
   12   HD22  LEU   1          HD22      LEU   1  11.084  -8.134   6.426
   13   HD23  LEU   1          HD23      LEU   1  10.826  -6.389   6.469
   14    H    ARG   2           HN       ARG   2  11.068  -5.403   1.474
   15    HA   ARG   2           HA       ARG   2  13.654  -4.059   1.336
   16    HB2  ARG   2           HB2      ARG   2  13.102  -5.357  -0.827
   17    HB3  ARG   2           HB1      ARG   2  11.876  -4.127  -1.076
   18    HG2  ARG   2           HG2      ARG   2  14.016  -3.760  -2.296
   19    HG3  ARG   2           HG1      ARG   2  13.504  -2.421  -1.278
   20    HD2  ARG   2           HD2      ARG   2  15.921  -2.875  -1.105
   21    HD3  ARG   2           HD1      ARG   2  15.095  -3.088   0.437
   22    HE   ARG   2           HE       ARG   2  15.272  -5.541  -0.994
   23   HH11  ARG   2          HH11      ARG   2  17.180  -3.319   0.916
   24   HH12  ARG   2          HH12      ARG   2  18.232  -4.552   1.530
   25   HH21  ARG   2          HH21      ARG   2  16.669  -7.170  -0.200
   26   HH22  ARG   2          HH22      ARG   2  17.941  -6.743   0.901
   27    H    LEU   3           HN       LEU   3  13.463  -1.973   1.793
   28    HA   LEU   3           HA       LEU   3  11.256  -1.157   3.204
   29    HB2  LEU   3           HB2      LEU   3  13.362  -0.130   3.610
   30    HB3  LEU   3           HB1      LEU   3  13.449   0.472   1.965
   31    HG   LEU   3           HG       LEU   3  11.581   2.006   2.424
   32   HD11  LEU   3          HD11      LEU   3  11.768   0.952   5.241
   33   HD12  LEU   3          HD12      LEU   3  10.435   0.687   4.115
   34   HD13  LEU   3          HD13      LEU   3  10.781   2.314   4.705
   35   HD21  LEU   3          HD21      LEU   3  12.781   3.535   3.882
   36   HD22  LEU   3          HD22      LEU   3  13.888   2.750   2.754
   37   HD23  LEU   3          HD23      LEU   3  13.815   2.217   4.433
   38    H    ILE   4           HN       ILE   4  12.207   0.185   0.076
   39    HA   ILE   4           HA       ILE   4  10.067   1.958  -0.122
   40    HB   ILE   4           HB       ILE   4  11.894   0.781  -2.178
   41   HG12  ILE   4          HG12      ILE   4  12.802   2.296  -0.432
   42   HG13  ILE   4          HG11      ILE   4  12.973   2.940  -2.064
   43   HG21  ILE   4          HG21      ILE   4   9.859   1.334  -3.363
   44   HG22  ILE   4          HG22      ILE   4  11.118   2.507  -3.749
   45   HG23  ILE   4          HG23      ILE   4   9.832   2.934  -2.618
   46   HD11  ILE   4          HD11      ILE   4  11.013   4.365  -1.677
   47   HD12  ILE   4          HD12      ILE   4  12.317   4.680  -0.534
   48   HD13  ILE   4          HD13      ILE   4  10.910   3.746  -0.030
   49    H    HIS   5           HN       HIS   5  10.274  -1.404  -0.939
   50    HA   HIS   5           HA       HIS   5   7.947  -1.378  -2.645
   51    HB2  HIS   5           HB2      HIS   5   9.393  -3.740  -1.421
   52    HB3  HIS   5           HB1      HIS   5   8.220  -3.806  -2.735
   53    HD1  HIS   5           HD1      HIS   5   9.213  -3.796  -5.016
   54    HD2  HIS   5           HD2      HIS   5  11.748  -2.112  -2.195
   55    HE1  HIS   5           HE1      HIS   5  11.344  -3.271  -6.234
   56    HE2  HIS   5           HE2      HIS   5  12.896  -2.343  -4.499
   57    H    ALA   6           HN       ALA   6   8.678  -1.850   0.692
   58    HA   ALA   6           HA       ALA   6   6.074  -2.919   1.342
   59    HB1  ALA   6           HB1      ALA   6   8.239  -1.873   3.173
   60    HB2  ALA   6           HB2      ALA   6   8.112  -3.549   2.627
   61    HB3  ALA   6           HB3      ALA   6   6.847  -2.853   3.640
   62    H    VAL   7           HN       VAL   7   7.841   0.061   1.369
   63    HA   VAL   7           HA       VAL   7   6.042   1.753   2.621
   64    HB   VAL   7           HB       VAL   7   8.041   2.142   0.418
   65   HG11  VAL   7          HG11      VAL   7   6.403   3.735  -0.211
   66   HG12  VAL   7          HG12      VAL   7   7.657   4.620   0.670
   67   HG13  VAL   7          HG13      VAL   7   6.135   4.221   1.470
   68   HG21  VAL   7          HG21      VAL   7   9.136   3.527   2.134
   69   HG22  VAL   7          HG22      VAL   7   8.900   1.850   2.629
   70   HG23  VAL   7          HG23      VAL   7   7.836   3.111   3.253
   71    H    ARG   8           HN       ARG   8   6.374   0.975  -0.790
   72    HA   ARG   8           HA       ARG   8   4.179   2.465  -1.667
   73    HB2  ARG   8           HB2      ARG   8   5.709   0.166  -2.830
   74    HB3  ARG   8           HB1      ARG   8   4.435   1.009  -3.724
   75    HG2  ARG   8           HG2      ARG   8   5.685   3.130  -3.369
   76    HG3  ARG   8           HG1      ARG   8   6.989   2.189  -2.640
   77    HD2  ARG   8           HD2      ARG   8   7.437   2.687  -5.002
   78    HD3  ARG   8           HD1      ARG   8   7.283   0.955  -4.719
   79    HE   ARG   8           HE       ARG   8   5.077   1.061  -5.709
   80   HH11  ARG   8          HH11      ARG   8   7.094   3.881  -6.192
   81   HH12  ARG   8          HH12      ARG   8   6.243   4.401  -7.608
   82   HH21  ARG   8          HH21      ARG   8   3.946   1.752  -7.556
   83   HH22  ARG   8          HH22      ARG   8   4.453   3.187  -8.393
   84    H    GLY   9           HN       GLY   9   4.479  -0.953  -0.805
   85    HA2  GLY   9           HA2      GLY   9   1.760  -1.572  -1.397
   86    HA3  GLY   9           HA1      GLY   9   2.850  -2.545  -0.415
   87    H    TYR  10           HN       TYR  10   3.120   0.296   0.987
   88    HA   TYR  10           HA       TYR  10   1.103  -0.263   2.986
   89    HB2  TYR  10           HB2      TYR  10   3.090   0.213   4.058
   90    HB3  TYR  10           HB1      TYR  10   3.600   1.357   2.829
   91    HD1  TYR  10           HD1      TYR  10   3.583   3.570   3.299
   92    HD2  TYR  10           HD2      TYR  10   1.032   1.006   5.529
   93    HE1  TYR  10           HE1      TYR  10   2.945   5.464   4.722
   94    HE2  TYR  10           HE2      TYR  10   0.377   2.895   6.965
   95    HH   TYR  10           HH       TYR  10   1.206   5.064   7.648
   96    H    TRP  11           HN       TRP  11   2.133   2.648   1.100
   97    HA   TRP  11           HA       TRP  11  -0.314   3.933   1.917
   98    HB2  TRP  11           HB2      TRP  11   0.483   5.923   0.757
   99    HB3  TRP  11           HB1      TRP  11   1.682   5.287   1.870
  100    HD1  TRP  11           HD1      TRP  11   3.838   4.032   0.688
  101    HE1  TRP  11           HE1      TRP  11   4.991   4.561  -1.551
  102    HE3  TRP  11           HE3      TRP  11   0.098   6.688  -1.536
  103    HZ2  TRP  11           HZ2      TRP  11   4.398   5.935  -3.939
  104    HZ3  TRP  11           HZ3      TRP  11   0.471   7.597  -3.796
  105    HH2  TRP  11           HH2      TRP  11   2.578   7.223  -4.972
  106    H    LEU  12           HN       LEU  12   0.829   2.411  -1.045
  107    HA   LEU  12           HA       LEU  12  -1.199   3.537  -2.713
  108    HB2  LEU  12           HB2      LEU  12   0.516   1.074  -3.036
  109    HB3  LEU  12           HB1      LEU  12  -0.594   1.654  -4.264
  110    HG   LEU  12           HG       LEU  12   1.757   3.220  -3.203
  111   HD11  LEU  12          HD11      LEU  12   2.470   1.250  -4.469
  112   HD12  LEU  12          HD12      LEU  12   2.797   2.739  -5.357
  113   HD13  LEU  12          HD13      LEU  12   1.423   1.728  -5.805
  114   HD21  LEU  12          HD21      LEU  12   1.294   4.665  -5.138
  115   HD22  LEU  12          HD22      LEU  12  -0.032   4.636  -3.978
  116   HD23  LEU  12          HD23      LEU  12  -0.155   3.716  -5.478
  117    H    THR  13           HN       THR  13  -0.935   0.860  -0.597
  118    HA   THR  13           HA       THR  13  -3.425  -0.347  -1.446
  119    HB   THR  13           HB       THR  13  -1.052  -1.104   0.096
  120    HG1  THR  13           HG1      THR  13  -2.982  -2.617  -1.355
  121   HG21  THR  13          HG21      THR  13  -2.157  -2.849   1.415
  122   HG22  THR  13          HG22      THR  13  -3.724  -2.161   0.986
  123   HG23  THR  13          HG23      THR  13  -2.578  -1.219   1.941
  124    H    ASN  14           HN       ASN  14  -2.483   2.133   0.574
  125    HA   ASN  14           HA       ASN  14  -4.449   1.640   2.667
  126    HB2  ASN  14           HB2      ASN  14  -1.949   2.843   2.594
  127    HB3  ASN  14           HB1      ASN  14  -3.072   4.185   2.776
  128   HD21  ASN  14          HD21      ASN  14  -1.768   1.326   4.188
  129   HD22  ASN  14          HD22      ASN  14  -2.396   1.570   5.779
  130    H    LYS  15           HN       LYS  15  -3.610   4.268   0.411
  131    HA   LYS  15           HA       LYS  15  -5.709   5.977   1.208
  132    HB2  LYS  15           HB2      LYS  15  -4.356   6.020  -1.485
  133    HB3  LYS  15           HB1      LYS  15  -5.050   7.374  -0.601
  134    HG2  LYS  15           HG2      LYS  15  -2.604   5.806   0.177
  135    HG3  LYS  15           HG1      LYS  15  -2.625   7.432  -0.515
  136    HD2  LYS  15           HD2      LYS  15  -3.805   8.272   1.441
  137    HD3  LYS  15           HD1      LYS  15  -3.868   6.647   2.124
  138    HE2  LYS  15           HE2      LYS  15  -1.414   6.602   2.207
  139    HE3  LYS  15           HE1      LYS  15  -1.370   8.241   1.559
  140    HZ1  LYS  15           HZ1      LYS  15  -2.588   8.988   3.518
  141    HZ2  LYS  15           HZ2      LYS  15  -1.128   8.258   3.948
  142    HZ3  LYS  15           HZ3      LYS  15  -2.580   7.417   4.143
  143    H    VAL  16           HN       VAL  16  -5.457   3.521  -1.199
  144    HA   VAL  16           HA       VAL  16  -7.812   3.977  -2.636
  145    HB   VAL  16           HB       VAL  16  -6.227   2.500  -3.578
  146   HG11  VAL  16          HG11      VAL  16  -5.411   0.486  -2.498
  147   HG12  VAL  16          HG12      VAL  16  -6.433   0.800  -1.097
  148   HG13  VAL  16          HG13      VAL  16  -5.101   1.897  -1.476
  149   HG21  VAL  16          HG21      VAL  16  -8.515   1.805  -4.021
  150   HG22  VAL  16          HG22      VAL  16  -8.517   0.817  -2.562
  151   HG23  VAL  16          HG23      VAL  16  -7.459   0.399  -3.910
  152    HA   PRO  17           HA       PRO  17 -10.640   2.761   0.679
  153    HB2  PRO  17           HB2      PRO  17 -12.891   3.415  -0.728
  154    HB3  PRO  17           HB1      PRO  17 -11.949   4.586   0.198
  155    HG2  PRO  17           HG2      PRO  17 -11.967   4.060  -2.738
  156    HG3  PRO  17           HG1      PRO  17 -11.836   5.602  -1.874
  157    HD2  PRO  17           HD2      PRO  17  -9.697   4.324  -2.977
  158    HD3  PRO  17           HD1      PRO  17  -9.573   5.368  -1.553
  159    H    ILE  18           HN       ILE  18 -10.945   0.657   0.886
  160    HA   ILE  18           HA       ILE  18 -11.623  -0.899  -1.508
  161    HB   ILE  18           HB       ILE  18 -10.600  -2.853  -0.322
  162   HG12  ILE  18          HG12      ILE  18  -9.636  -0.701   1.577
  163   HG13  ILE  18          HG11      ILE  18 -10.757  -1.999   1.971
  164   HG21  ILE  18          HG21      ILE  18  -9.397  -1.614  -2.046
  165   HG22  ILE  18          HG22      ILE  18  -8.298  -2.196  -0.798
  166   HG23  ILE  18          HG23      ILE  18  -8.782  -0.502  -0.824
  167   HD11  ILE  18          HD11      ILE  18  -8.987  -3.638   1.561
  168   HD12  ILE  18          HD12      ILE  18  -8.541  -2.480   2.814
  169   HD13  ILE  18          HD13      ILE  18  -7.868  -2.325   1.193
  170    H    LYS  19           HN       LYS  19 -13.492   0.394   0.221
  171    HA   LYS  19           HA       LYS  19 -14.933  -1.927   1.297
  172    HB2  LYS  19           HB2      LYS  19 -15.431   1.036   1.644
  173    HB3  LYS  19           HB1      LYS  19 -16.509  -0.215   2.247
  174    HG2  LYS  19           HG2      LYS  19 -14.671  -1.096   3.630
  175    HG3  LYS  19           HG1      LYS  19 -13.647   0.223   3.067
  176    HD2  LYS  19           HD2      LYS  19 -16.258   0.590   4.531
  177    HD3  LYS  19           HD1      LYS  19 -14.670   0.625   5.298
  178    HE2  LYS  19           HE2      LYS  19 -15.562   2.477   3.091
  179    HE3  LYS  19           HE1      LYS  19 -15.580   2.878   4.806
  180    HZ1  LYS  19           HZ1      LYS  19 -13.187   2.602   4.868
  181    HZ2  LYS  19           HZ2      LYS  19 -13.611   3.739   3.691
  182    HZ3  LYS  19           HZ3      LYS  19 -13.160   2.177   3.235
  183    H    ARG  20           HN       ARG  20 -14.984   0.581  -1.097
  184    HA   ARG  20           HA       ARG  20 -17.539  -0.065  -2.205
  185    HB2  ARG  20           HB2      ARG  20 -16.814   1.345  -4.094
  186    HB3  ARG  20           HB1      ARG  20 -16.529   2.145  -2.554
  187    HG2  ARG  20           HG2      ARG  20 -14.193   1.683  -2.657
  188    HG3  ARG  20           HG1      ARG  20 -14.410   0.627  -4.053
  189    HD2  ARG  20           HD2      ARG  20 -15.137   2.544  -5.384
  190    HD3  ARG  20           HD1      ARG  20 -14.913   3.599  -3.989
  191    HE   ARG  20           HE       ARG  20 -12.511   2.918  -4.095
  192   HH11  ARG  20          HH11      ARG  20 -14.510   2.748  -6.972
  193   HH12  ARG  20          HH12      ARG  20 -13.177   2.995  -8.057
  194   HH21  ARG  20          HH21      ARG  20 -10.764   3.238  -5.538
  195   HH22  ARG  20          HH22      ARG  20 -11.062   3.271  -7.243
  196    HA   PRO  21           HA       PRO  21 -16.123  -3.429  -4.828
  197    HB2  PRO  21           HB2      PRO  21 -18.188  -3.512  -6.557
  198    HB3  PRO  21           HB1      PRO  21 -18.339  -4.081  -4.891
  199    HG2  PRO  21           HG2      PRO  21 -19.219  -1.492  -6.092
  200    HG3  PRO  21           HG1      PRO  21 -20.055  -2.521  -4.918
  201    HD2  PRO  21           HD2      PRO  21 -18.649  -0.265  -4.250
  202    HD3  PRO  21           HD1      PRO  21 -18.916  -1.629  -3.148
  203    H    SER  22           HN       SER  22 -14.842  -1.054  -5.265
  204    HA   SER  22           HA       SER  22 -13.737   0.231  -6.750
  205    HB2  SER  22           HB2      SER  22 -14.463  -1.935  -8.735
  206    HB3  SER  22           HB1      SER  22 -13.150  -0.767  -8.889
  207    HG   SER  22           HG       SER  22 -13.242  -3.114  -7.496