*HEADER   NEUROTOXIN                              03-JAN-95   1NRB    
*COMPND   NEUROTOXIN V, CSE-V (NMR, 20 STRUCTURES)                    
*SOURCE   (CENTRUROIDES SCULPTURATUS EWING)                           
*AUTHOR   M.J.JABLONSKY,N.R.KRISHNA                                   
*REVDAT  1   27-FEB-95 1NRB    0                                      


Full set of nOe's and dihedral constraints for CsE-V used in the
simulated annealing calculations [XPLOR format].

!! LYS1
assign (resid    1 and  name HA  )(resid    2 and  name HN  ) 2.5 0.7 0.2 
assign (resid    1 and  name HB# )(resid    2 and  name HN  ) 2.5 1.7 1.2
assign (resid    1 and  name HB# )(resid   47 and  name HN  ) 4.0 3.2 2.0
assign (resid    1 and  name HA  )(resid   48 and  name HN  ) 4.0 2.2 1.0
assign (resid    1 and  name HA  )(resid   50 and  name HN  ) 3.0 1.2 0.3
assign (resid    1 and  name HB# )(resid   50 and  name HN  ) 4.0 3.2 2.0
assign (resid    1 and  name HA  )(resid   49 and  name HA  ) 4.0 2.2 1.0
!! LYS 2
assign (resid    2 and  name HN  )(resid    2 and  name HA  ) 4.0 2.2 1.0
assign (resid    2 and  name HN  )(resid    2 and  name HB# ) 3.0 1.8 0.9
assign (resid    2 and  name HA  )(resid    2 and  name HB# ) 3.0 1.8 0.9
assign (resid    2 and  name HA  )(resid    2 and  name HG# ) 3.0 1.8 0.9
assign (resid    2 and  name HA  )(resid    2 and  name HD# ) 3.0 2.2 1.3
assign (resid    2 and  name HB# )(resid    2 and  name HG# ) 3.0 3.2 2.3
assign (resid    2 and  name HB# )(resid    2 and  name HD# ) 3.0 3.2 2.3
assign (resid    2 and  name HG# )(resid    2 and  name HD# ) 3.0 3.2 2.3
assign (resid    2 and  name HA  )(resid    3 and  name HN  ) 2.5 0.7 0.2
assign (resid    2 and  name HB# )(resid    3 and  name HN  ) 3.0 2.2 1.3 
assign (resid    2 and  name HG# )(resid    3 and  name HN  ) 4.0 3.2 2.0
assign (resid    2 and  name HD# )(resid    3 and  name HN  ) 4.0 3.2 2.0
assign (resid    2 and  name HN  )(resid    3 and  name HN  ) 4.0 2.2 1.0
assign (resid    2 and  name HN  )(resid   47 and  name HA1 ) 4.0 2.2 1.0
assign (resid    2 and  name HN  )(resid   47 and  name HA2 ) 4.0 2.2 1.0
assign (resid    2 and  name HN  )(resid   48 and  name HA  ) 4.0 2.2 1.0 
assign (resid    2 and  name HN  )(resid   48 and  name HD# ) 4.0 5.7 4.5 
assign (resid    2 and  name HN  )(resid   48 and  name HG  ) 4.0 2.2 1.0 
assign (resid    2 and  name HN  )(resid   48 and  name HN  ) 3.0 1.2 0.3 
assign (resid    2 and  name HE1 )(resid   48 and  name HD# ) 4.0 4.7 3.5
assign (resid    2 and  name HE2 )(resid   48 and  name HD# ) 4.0 4.7 3.5
assign (resid    2 and  name HN  )(resid   49 and  name HA  ) 4.0 2.2 1.0
assign (resid    2 and  name HG# )(resid   50 and  name HA  ) 4.0 3.2 2.0
assign (resid    2 and  name HD# )(resid   50 and  name HA  ) 4.0 3.2 2.0
assign (resid    2 and  name HE# )(resid   50 and  name HA  ) 4.0 3.2 2.0
assign (resid    2 and  name HZ# )(resid   50 and  name HA  ) 4.0 3.0 1.8
assign (resid    2 and  name HE# )(resid   52 and  name HN  ) 4.0 3.2 2.0
assign (resid    2 and  name HD# )(resid   54 and  name HG2#) 4.0 4.3 3.1
assign (resid    2 and  name HE# )(resid   54 and  name HG2#) 3.0 3.1 2.2
!! ASP g2t3 UF=B1, DF=B2 18AUG93 set t2g3 uf=b2
assign (resid    3 and  name HN  )(resid    3 and  name HA  ) 3.0 1.2 0.3
assign (resid    3 and  name HN  )(resid    3 and  name HB1 ) 4.0 2.2 1.0
assign (resid    3 and  name HN  )(resid    3 and  name HB2 ) 2.5 0.7 0.2
assign (resid    3 and  name HA  )(resid    3 and  name HB1 ) 3.0 1.2 0.3
assign (resid    3 and  name HA  )(resid    3 and  name HB2 ) 3.0 1.2 0.3
assign (resid    3 and  name HA  )(resid    4 and  name HN  ) 2.5 0.7 0.2   
assign (resid    3 and  name HB1 )(resid    4 and  name HN  ) 3.0 1.2 0.3  
assign (resid    3 and  name HB2 )(resid    4 and  name HN  ) 4.0 2.2 1.0 
assign (resid    3 and  name HN  )(resid    4 and  name HN  ) 4.0 2.2 1.0
assign (resid    3 and  name HA  )(resid   44 and  name HE# ) 4.0 4.2 3.0
assign (resid    3 and  name HB2 )(resid   44 and  name HE# ) 3.0 3.2 2.3
assign (resid    3 and  name HB2 )(resid   44 and  name HD# ) 3.0 3.2 2.3
assign (resid    3 and  name HB1 )(resid   44 and  name HD# ) 4.0 4.2 3.0
assign (resid    3 and  name HB1 )(resid   44 and  name HE# ) 3.0 3.2 2.3
assign (resid    3 and  name HA  )(resid   46 and  name HA  ) 2.5 0.7 0.2
assign (resid    3 and  name HB2 )(resid   46 and  name HA  ) 4.0 2.2 1.3
assign (resid    3 and  name HB1 )(resid   46 and  name HA  ) 4.0 2.2 1.0
assign (resid    3 and  name HA  )(resid   46 and  name HB1 ) 4.0 2.2 1.0
assign (resid    3 and  name HA  )(resid   46 and  name HB2 ) 4.0 2.2 1.0
assign (resid    3 and  name HA  )(resid   46 and  name HD# ) 4.0 4.2 3.0
assign (resid    3 and  name HB1 )(resid   46 and  name HD# ) 4.0 4.2 3.0
assign (resid    3 and  name HB2 )(resid   46 and  name HD# ) 4.0 4.2 3.0
assign (resid    3 and  name HA  )(resid   47 and  name HN  ) 3.0 1.2 0.3
assign (resid    3 and  name HA  )(resid   48 and  name HD# ) 4.0 4.7 3.5
assign (resid    3 and  name HA  )(resid   48 and  name HN  ) 4.0 2.2 1.0
!! GLY 4
assign (resid    4 and  name HN  )(resid    4 and  name HA# ) 2.5 1.7 1.2
assign (resid    4 and  name HA1 )(resid    5 and  name HN  ) 2.5 0.7 0.2 
assign (resid    4 and  name HA2 )(resid    5 and  name HN  ) 2.5 0.7 0.2 
assign (resid    4 and  name HA# )(resid    5 and  name HD# ) 4.0 5.2 4.0
assign (resid    4 and  name HN  )(resid    5 and  name HN  ) 4.0 2.2 1.0   
assign (resid    4 and  name HA# )(resid   44 and  name HD# ) 4.0 5.2 4.0 
assign (resid    4 and  name HA# )(resid   44 and  name HE# ) 4.0 5.2 4.0
assign (resid    4 and  name HN  )(resid   44 and  name HD# ) 4.0 4.2 3.0
assign (resid    4 and  name HN  )(resid   44 and  name HE# ) 4.0 4.2 3.0
assign (resid    4 and  name HN  )(resid   45 and  name HN  ) 4.0 2.2 1.0
assign (resid    4 and  name HN  )(resid   46 and  name HA  ) 4.0 2.2 1.0
assign (resid    4 and  name HN  )(resid   47 and  name HN  ) 4.0 2.2 1.0
assign (resid    4 and  name HN  )(resid   48 and  name HB# ) 4.0 3.2 2.0
assign (resid    4 and  name HN  )(resid   48 and  name HD# ) 4.0 4.7 3.5 
assign (resid    4 and  name HA1 )(resid   54 and  name HG2#) 4.0 3.3 2.1
assign (resid    4 and  name HA2 )(resid   54 and  name HG2#) 4.0 3.3 2.1
!! TYR 5
assign (resid    5 and  name HN  )(resid    5 and  name HA  ) 4.0 2.2 1.0
assign (resid    5 and  name HN  )(resid    5 and  name HB# ) 3.0 1.8 0.9
assign (resid    5 and  name HN  )(resid    5 and  name HD# ) 3.0 3.2 2.3
assign (resid    5 and  name HA  )(resid    5 and  name HB# ) 3.0 1.8 0.9
assign (resid    5 and  name HA  )(resid    5 and  name HD# ) 3.0 2.2 1.3
assign (resid    5 and  name HA  )(resid    5 and  name HE# ) 4.0 2.8 1.6
assign (resid    5 and  name HB# )(resid    5 and  name HD# ) 2.5 3.7 3.3
assign (resid    5 and  name HB# )(resid    5 and  name HE# ) 3.0 4.2 3.3
assign (resid    5 and  name HB# )(resid    6 and  name HD# ) 4.0 4.2 3.0   
assign (resid    5 and  name HA  )(resid    6 and  name HG# ) 4.0 3.2 2.0
assign (resid    5 and  name HA  )(resid    6 and  name HD# ) 2.5 2.7 2.2
assign (resid    5 and  name HD# )(resid    6 and  name HD1 ) 4.0 4.2 3.0
assign (resid    5 and  name HD# )(resid    6 and  name HD2 ) 4.0 4.2 3.0
assign (resid    5 and  name HD# )(resid    7 and  name HG# ) 4.0 6.1 4.9 
assign (resid    5 and  name HD# )(resid   37 and  name HD# ) 4.0 6.2 5.0
assign (resid    5 and  name HD# )(resid   37 and  name HB1 ) 4.0 5.2 4.0
assign (resid    5 and  name HD# )(resid   37 and  name HB2 ) 4.0 5.2 4.0
assign (resid    5 and  name HE# )(resid   37 and  name HB# ) 4.0 5.2 4.0
assign (resid    5 and  name HD# )(resid   42 and  name HA  ) 4.0 4.2 3.0
assign (resid    5 and  name HE# )(resid   42 and  name HA  ) 4.0 4.2 3.0
assign (resid    5 and  name HD# )(resid   42 and  name HB1 ) 4.0 4.2 3.0
assign (resid    5 and  name HD# )(resid   42 and  name HB2 ) 3.0 3.2 2.3
assign (resid    5 and  name HE# )(resid   42 and  name HB1 ) 4.0 4.2 3.0
assign (resid    5 and  name HE# )(resid   42 and  name HB2 ) 3.0 3.2 2.3
assign (resid    5 and  name HE# )(resid   43 and  name HB# ) 4.0 5.2 4.0
assign (resid    5 and  name HA  )(resid   44 and  name HA  ) 3.0 1.2 0.3
assign (resid    5 and  name HA  )(resid   44 and  name HD2 ) 4.0 2.2 1.0
assign (resid    5 and  name HA  )(resid   44 and  name HE2 ) 4.0 2.2 1.0
assign (resid    5 and  name HD# )(resid   44 and  name HN  ) 4.0 4.2 3.0
assign (resid    5 and  name HE# )(resid   44 and  name HN  ) 4.0 4.2 3.0
assign (resid    5 and  name HD# )(resid   44 and  name HA  ) 4.0 4.2 3.0
assign (resid    5 and  name HE# )(resid   44 and  name HA  ) 4.0 4.2 3.0
assign (resid    5 and  name HD# )(resid   44 and  name HB1 ) 4.0 4.2 3.0
assign (resid    5 and  name HD# )(resid   44 and  name HB2 ) 4.0 4.2 3.0
assign (resid    5 and  name HE# )(resid   44 and  name HB1 ) 4.0 4.2 3.0
assign (resid    5 and  name HE# )(resid   44 and  name HB2 ) 4.0 4.2 3.0
assign (resid    5 and  name HD# )(resid   44 and  name HD# ) 4.0 6.2 5.0
assign (resid    5 and  name HD# )(resid   44 and  name HE# ) 4.0 6.2 5.0
assign (resid    5 and  name HE# )(resid   44 and  name HD# ) 4.0 6.2 5.0
assign (resid    5 and  name HE# )(resid   44 and  name HE# ) 4.0 6.2 5.0
assign (resid    5 and  name HA  )(resid   45 and  name HN  ) 4.0 2.2 1.0
assign (resid    5 and  name HA  )(resid   48 and  name HD# ) 4.0 4.7 3.5
assign (resid    5 and  name HN  )(resid   54 and  name HB  ) 4.0 2.2 1.0
assign (resid    5 and  name HN  )(resid   54 and  name HG2#) 4.0 3.3 2.1
!! PRO 6
assign (resid    6 and  name HA  )(resid    6 and  name HB1 ) 4.0 2.2 1.0
assign (resid    6 and  name HA  )(resid    6 and  name HB2 ) 4.0 2.2 1.0
assign (resid    6 and  name HB# )(resid    6 and  name HG# ) 4.0 4.2 3.0
assign (resid    6 and  name HG# )(resid    6 and  name HD# ) 4.0 4.2 3.0
assign (resid    6 and  name HA  )(resid    7 and  name HN  ) 4.0 2.2 1.0 
assign (resid    6 and  name HB1 )(resid    7 and  name HN  ) 4.0 2.2 1.0
assign (resid    6 and  name HB2 )(resid    7 and  name HN  ) 4.0 2.2 1.0
assign (resid    6 and  name HB1 )(resid   14 and  name HD# ) 4.0 4.2 3.0
assign (resid    6 and  name HB2 )(resid   14 and  name HD# ) 4.0 4.2 3.0
assign (resid    6 and  name HB1 )(resid   14 and  name HE# ) 4.0 4.2 3.0
assign (resid    6 and  name HB2 )(resid   14 and  name HE# ) 4.0 4.2 3.0
assign (resid    6 and  name HG1 )(resid   14 and  name HD# ) 4.0 4.2 3.0
assign (resid    6 and  name HG2 )(resid   14 and  name HD# ) 4.0 4.2 3.0
assign (resid    6 and  name HG1 )(resid   14 and  name HE# ) 4.0 4.2 3.0
assign (resid    6 and  name HG2 )(resid   14 and  name HE# ) 4.0 4.2 3.0
assign (resid    6 and  name HD# )(resid   14 and  name HD# ) 4.0 5.2 4.0
assign (resid    6 and  name HD# )(resid   14 and  name HE# ) 4.0 5.2 4.0
assign (resid    6 and  name HD# )(resid   44 and  name HA  ) 4.0 3.2 2.0
assign (resid    6 and  name HD1 )(resid   45 and  name HN  ) 4.0 2.2 1.0
assign (resid    6 and  name HD2 )(resid   45 and  name HN  ) 4.0 2.2 1.0
assign (resid    6 and  name HA  )(resid   48 and  name HD# ) 4.0 5.1 3.9
assign (resid    6 and  name HD# )(resid   48 and  name HG  ) 4.0 3.2 2.0
assign (resid    6 and  name HD# )(resid   48 and  name HD# ) 4.0 4.7 3.5
assign (resid    6 and  name HA  )(resid   54 and  name HA  ) 4.0 2.2 1.0
assign (resid    6 and  name HA  )(resid   54 and  name HG2#) 4.0 3.3 2.1
!! VAL 7 trans  G1 is upfield
assign (resid    7 and  name HN  )(resid    7 and  name HA  ) 4.0 2.2 1.0
assign (resid    7 and  name HN  )(resid    7 and  name HB  ) 4.0 2.2 1.0
assign (resid    7 and  name HN  )(resid    7 and  name HG1#) 4.0 3.3 2.1
assign (resid    7 and  name HN  )(resid    7 and  name HG2#) 4.0 3.3 2.1
assign (resid    7 and  name HA  )(resid    7 and  name HB  ) 3.0 1.2 0.3
assign (resid    7 and  name HA  )(resid    7 and  name HG2#) 4.0 3.3 2.1
assign (resid    7 and  name HA  )(resid    7 and  name HG1#) 4.0 3.3 2.1
assign (resid    7 and  name HA  )(resid    8 and  name HN  ) 3.0 1.2 0.5
assign (resid    7 and  name HB  )(resid    8 and  name HN  ) 4.0 2.2 1.0 
assign (resid    7 and  name HG1#)(resid    8 and  name HN  ) 4.0 3.3 2.1
assign (resid    7 and  name HG2#)(resid    8 and  name HN  ) 4.0 3.3 2.1
assign (resid    7 and  name HN  )(resid    8 and  name HN  ) 4.0 2.2 1.0 
assign (resid    7 and  name HA  )(resid   11 and  name HN  ) 4.0 2.2 1.0
assign (resid    7 and  name HB  )(resid   11 and  name HN  ) 4.0 2.2 1.0
assign (resid    7 and  name HG2#)(resid   11 and  name HN  ) 3.0 2.1 1.2
assign (resid    7 and  name HG1#)(resid   11 and  name HN  ) 4.0 3.3 2.1
assign (resid    7 and  name HB  )(resid   11 and  name HA  ) 2.5 0.7 0.2 
assign (resid    7 and  name HG1#)(resid   11 and  name HA  ) 3.0 2.1 1.2
assign (resid    7 and  name HG2#)(resid   11 and  name HA  ) 2.5 1.4 0.7
assign (resid    7 and  name HG2#)(resid   11 and  name HB2 ) 4.0 3.3 2.1
assign (resid    7 and  name HG2#)(resid   11 and  name HB1 ) 4.0 3.3 2.1
assign (resid    7 and  name HA  )(resid   12 and  name HN  ) 4.0 2.2 1.0
assign (resid    7 and  name HB  )(resid   12 and  name HN  ) 3.0 1.2 0.3
assign (resid    7 and  name HG1#)(resid   12 and  name HN  ) 4.0 3.3 2.1
assign (resid    7 and  name HG2#)(resid   12 and  name HN  ) 4.0 3.3 2.1
assign (resid    7 and  name HA  )(resid   13 and  name HN  ) 4.0 2.2 1.0
assign (resid    7 and  name HG1#)(resid   13 and  name HN  ) 4.0 3.3 2.1
assign (resid    7 and  name HA  )(resid   13 and  name HA  ) 3.0 1.2 0.3
assign (resid    7 and  name HG1#)(resid   13 and  name HA  ) 2.5 1.4 0.9
assign (resid    7 and  name HG2#)(resid   13 and  name HA  ) 4.0 3.3 2.1
assign (resid    7 and  name HA  )(resid   14 and  name HD# ) 4.0 4.2 3.0
assign (resid    7 and  name HA  )(resid   14 and  name HE# ) 3.0 3.2 2.3
assign (resid    7 and  name HA  )(resid   14 and  name HN  ) 4.0 2.2 1.0
assign (resid    7 and  name HB  )(resid   14 and  name HD# ) 4.0 4.2 3.0
assign (resid    7 and  name HG1#)(resid   14 and  name HE# ) 4.0 5.3 4.1
assign (resid    7 and  name HG2#)(resid   14 and  name HE# ) 4.0 5.3 4.1
assign (resid    7 and  name HG1#)(resid   14 and  name HN  ) 4.0 3.3 2.1
assign (resid    7 and  name HG1#)(resid   54 and  name HA  ) 4.0 3.3 2.1
assign (resid    7 and  name HN  )(resid   54 and  name HA  ) 4.0 2.2 1.0
assign (resid    7 and  name HN  )(resid   54 and  name HG2#) 3.0 2.1 1.2
assign (resid    7 and  name HA  )(resid   55 and  name HN  ) 4.0 2.2 1.0
assign (resid    7 and  name HG1#)(resid   55 and  name HA  ) 2.5 1.4 0.7
assign (resid    7 and  name HG2#)(resid   55 and  name HA  ) 3.0 2.1 1.2
assign (resid    7 and  name HG1#)(resid   55 and  name HN  ) 3.0 2.1 1.2 
assign (resid    7 and  name HG2#)(resid   55 and  name HN  ) 3.0 2.1 1.2
assign (resid    7 and  name HG1#)(resid   56 and  name HN  ) 4.0 3.3 2.1
assign (resid    7 and  name HG2#)(resid   56 and  name HN  ) 4.0 3.3 2.1
!! ASP 8 g2g3, upfield=B1, downfield=B2
assign (resid    8 and  name HN  )(resid    8 and  name HA  ) 4.0 2.2 1.0
assign (resid    8 and  name HN  )(resid    8 and  name HB1 ) 4.0 2.2 1.0
assign (resid    8 and  name HN  )(resid    8 and  name HB2 ) 4.0 2.2 1.0
assign (resid    8 and  name HA  )(resid    8 and  name HB1 ) 2.5 0.7 0.2
assign (resid    8 and  name HA  )(resid    8 and  name HB2 ) 2.5 0.7 0.2
assign (resid    8 and  name HA  )(resid    9 and  name HN  ) 3.0 1.2 0.3
assign (resid    8 and  name HB1 )(resid    9 and  name HN  ) 4.0 2.2 1.0
assign (resid    8 and  name HB2 )(resid    9 and  name HN  ) 4.0 2.2 1.0
assign (resid    8 and  name HN  )(resid    9 and  name HN  ) 4.0 2.2 1.0 
assign (resid    8 and  name HA  )(resid   14 and  name HE# ) 4.0 4.2 3.0
assign (resid    8 and  name HN  )(resid   14 and  name HE# ) 4.0 4.2 3.0
assign (resid    8 and  name HB1 )(resid   14 and  name HD# ) 4.0 4.2 3.0
assign (resid    8 and  name HB2 )(resid   14 and  name HD# ) 4.0 4.2 3.0
assign (resid    8 and  name HB1 )(resid   14 and  name HE# ) 4.0 4.2 3.0
assign (resid    8 and  name HB2 )(resid   14 and  name HE# ) 4.0 4.2 3.0
!! SER 9
assign (resid    9 and  name HN  )(resid    9 and  name HA  ) 4.0 2.2 1.0
assign (resid    9 and  name HN  )(resid    9 and  name HB1 ) 4.0 2.2 1.0
assign (resid    9 and  name HN  )(resid    9 and  name HB2 ) 4.0 2.2 1.0
assign (resid    9 and  name HA  )(resid    9 and  name HB1 ) 3.0 1.2 0.3
assign (resid    9 and  name HA  )(resid    9 and  name HB2 ) 3.0 1.2 0.3
assign (resid    9 and  name HA  )(resid   10 and  name HN  ) 4.0 2.2 1.0
!! GLY 10
assign (resid   10 and  name HN  )(resid   10 and  name HA1 ) 4.0 2.2 1.0
assign (resid   10 and  name HN  )(resid   10 and  name HA2 ) 4.0 2.2 1.0
assign (resid   10 and  name HA1 )(resid   11 and  name HN  ) 4.0 2.2 1.0
assign (resid   10 and  name HA2 )(resid   11 and  name HN  ) 4.0 2.2 1.0
assign (resid   10 and  name HN  )(resid   11 and  name HN  ) 3.0 1.2 0.3
assign (resid   10 and  name HA# )(resid   61 and  name HN  ) 4.0 3.2 2.0
!! ASN 11
assign (resid   11 and  name HN  )(resid   11 and  name HA  ) 4.0 2.2 1.0
assign (resid   11 and  name HN  )(resid   11 and  name HB1 ) 4.0 2.2 1.0
assign (resid   11 and  name HN  )(resid   11 and  name HB2 ) 4.0 2.2 1.0
assign (resid   11 and  name HA  )(resid   11 and  name HD21) 4.0 2.2 1.0
assign (resid   11 and  name HB1 )(resid   11 and  name HD21) 3.0 1.2 0.3
assign (resid   11 and  name HB2 )(resid   11 and  name HD21) 3.0 1.2 0.3
assign (resid   11 and  name HA  )(resid   12 and  name HN  ) 2.5 0.7 0.2
assign (resid   11 and  name HN  )(resid   12 and  name HN  ) 4.0 2.2 1.0
assign (resid   11 and  name HD21)(resid   56 and  name HN  ) 4.0 2.2 1.0
assign (resid   11 and  name HD22)(resid   56 and  name HN  ) 3.0 1.2 0.3
assign (resid   11 and  name HD22)(resid   56 and  name HG2#) 4.0 3.3 2.1
assign (resid   11 and  name HD22)(resid   58 and  name HN  ) 4.0 2.2 1.0
assign (resid   11 and  name HB1 )(resid   60 and  name HA  ) 3.0 1.2 0.5
assign (resid   11 and  name HB2 )(resid   60 and  name HA  ) 4.0 2.2 1.0
assign (resid   11 and  name HB1 )(resid   61 and  name HN  ) 4.0 2.2 1.0
assign (resid   11 and  name HB2 )(resid   61 and  name HN  ) 4.0 2.2 1.0
!! CYS 12 (disulfide to CYS 60) upfield=B1 t2g3
assign (resid   12 and  name HN  )(resid   12 and  name HA  ) 4.0 2.2 1.0
assign (resid   12 and  name HN  )(resid   12 and  name HB1 ) 3.0 1.2 0.5
assign (resid   12 and  name HN  )(resid   12 and  name HB2 ) 3.0 1.2 0.5
assign (resid   12 and  name HA  )(resid   12 and  name HB1 ) 2.5 0.7 0.2
assign (resid   12 and  name HA  )(resid   12 and  name HB2 ) 3.0 1.2 1.0
assign (resid   12 and  name HA  )(resid   13 and  name HN  ) 3.0 1.2 0.3
assign (resid   12 and  name HB2 )(resid   13 and  name HN  ) 4.0 2.2 1.0
assign (resid   12 and  name HB1 )(resid   13 and  name HN  ) 4.0 2.2 1.0
assign (resid   12 and  name CB  )(resid   60 and  name SG  ) 3.0 0.1 0.1
assign (resid   12 and  name SG  )(resid   60 and  name SG  ) 2.0 0.1 0.1
assign (resid   12 and  name SG  )(resid   60 and  name CB  ) 3.0 0.1 0.1
assign (resid   12 and  name HA  )(resid   60 and  name HB1 ) 3.0 1.2 1.0
assign (resid   12 and  name HA  )(resid   60 and  name HB2 ) 3.0 1.2 1.0
assign (resid   12 and  name HB# )(resid   60 and  name HB# ) 4.0 4.2 3.0
!! LYS 13
assign (resid   13 and  name HN  )(resid   13 and  name HA  ) 3.0 1.2 0.3
assign (resid   13 and  name HA  )(resid   14 and  name HN  ) 4.0 2.2 1.0
assign (resid   13 and  name HB# )(resid   14 and  name HN  ) 4.0 3.2 2.0
assign (resid   13 and  name HA  )(resid   14 and  name HD# ) 4.0 4.2 3.0
assign (resid   13 and  name HA  )(resid   14 and  name HE# ) 4.0 4.2 3.0
!! TYR 14 t2g3 upfield=B2, downfield=B1
assign (resid   14 and  name HN  )(resid   14 and  name HA  ) 4.0 2.2 1.0
assign (resid   14 and  name HN  )(resid   14 and  name HB1 ) 4.0 2.2 1.0
assign (resid   14 and  name HN  )(resid   14 and  name HB2 ) 3.0 1.2 0.3
assign (resid   14 and  name HA  )(resid   14 and  name HB1 ) 2.5 0.7 0.2
assign (resid   14 and  name HA  )(resid   14 and  name HB2 ) 4.0 2.2 1.0
assign (resid   14 and  name HD# )(resid   14 and  name HN  ) 3.0 3.2 2.3
assign (resid   14 and  name HD# )(resid   14 and  name HA  ) 3.0 2.2 1.3
assign (resid   14 and  name HD# )(resid   14 and  name HB1 ) 3.0 3.2 2.3
assign (resid   14 and  name HD# )(resid   14 and  name HB2 ) 3.0 3.2 2.3
assign (resid   14 and  name HE# )(resid   14 and  name HA  ) 4.0 2.8 1.6
assign (resid   14 and  name HE# )(resid   14 and  name HB1 ) 4.0 4.2 3.0
assign (resid   14 and  name HE# )(resid   14 and  name HB2 ) 4.0 4.2 3.0
assign (resid   14 and  name HA  )(resid   15 and  name HN  ) 3.0 1.2 0.3
assign (resid   14 and  name HB1 )(resid   15 and  name HN  ) 4.0 2.2 1.0
assign (resid   14 and  name HN  )(resid   15 and  name HN  ) 4.0 2.2 1.0
assign (resid   14 and  name HD# )(resid   15 and  name HN  ) 4.0 4.2 3.0
assign (resid   14 and  name HE# )(resid   15 and  name HN  ) 4.0 4.2 3.0
assign (resid   14 and  name HB1 )(resid   21 and  name HD# ) 4.0 4.2 3.0
assign (resid   14 and  name HB1 )(resid   21 and  name HE# ) 4.0 4.2 3.0
assign (resid   14 and  name HB2 )(resid   21 and  name HD# ) 4.0 4.2 3.0
assign (resid   14 and  name HB2 )(resid   21 and  name HE# ) 4.0 4.2 3.0
assign (resid   14 and  name HA  )(resid   25 and  name HD# ) 4.0 4.7 3.5
assign (resid   14 and  name HB1 )(resid   25 and  name HD1#) 4.0 3.3 2.1
assign (resid   14 and  name HB1 )(resid   25 and  name HD2#) 4.0 3.3 2.1
assign (resid   14 and  name HB2 )(resid   25 and  name HD1#) 4.0 3.3 2.1
assign (resid   14 and  name HB2 )(resid   25 and  name HD2#) 4.0 3.3 2.1
assign (resid   14 and  name HD# )(resid   25 and  name HD1#) 3.0 4.1 3.2
assign (resid   14 and  name HD# )(resid   25 and  name HD2#) 3.0 4.1 3.2
assign (resid   14 and  name HE# )(resid   25 and  name HD1#) 3.0 4.1 3.2
assign (resid   14 and  name HE# )(resid   25 and  name HD2#) 3.0 4.1 3.2
assign (resid   14 and  name HE# )(resid   25 and  name HG  ) 4.0 4.2 3.0
!! GLU 15
assign (resid   15 and  name HN  )(resid   15 and  name HA  ) 4.0 2.2 1.0
assign (resid   15 and  name HN  )(resid   15 and  name HB# ) 3.0 1.8 0.9
assign (resid   15 and  name HN  )(resid   15 and  name HG# ) 4.0 3.2 2.0
assign (resid   15 and  name HA  )(resid   15 and  name HB# ) 2.5 1.3 0.8
assign (resid   15 and  name HA  )(resid   15 and  name HG# ) 4.0 2.8 1.6
assign (resid   15 and  name HB# )(resid   15 and  name HG# ) 3.0 4.2 2.3
assign (resid   15 and  name HA  )(resid   16 and  name HN  ) 3.0 1.2 0.3
assign (resid   15 and  name HB# )(resid   16 and  name HN  ) 4.0 3.2 2.0
assign (resid   15 and  name HG# )(resid   16 and  name HN  ) 4.0 3.2 2.0
assign (resid   15 and  name HB# )(resid   21 and  name HE# ) 4.0 5.2 4.0
assign (resid   15 and  name HB# )(resid   25 and  name HD# ) 4.0 5.7 4.5
assign (resid   15 and  name HA  )(resid   42 and  name HA  ) 2.5 0.7 0.2
assign (resid   15 and  name HA  )(resid   42 and  name HB# ) 4.0 3.2 2.0
assign (resid   15 and  name HB# )(resid   42 and  name HA  ) 3.0 2.2 1.3
assign (resid   15 and  name HA  )(resid   43 and  name HN  ) 4.0 2.2 1.0
!! CYS 16 (disulfide to CYS 36) g2t3
assign (resid   16 and  name HN  )(resid   16 and  name HA  ) 4.0 2.2 1.0
assign (resid   16 and  name HN  )(resid   16 and  name HB# ) 3.0 1.8 0.9
assign (resid   16 and  name HA  )(resid   16 and  name HB# ) 2.5 1.3 0.8
assign (resid   16 and  name CB  )(resid   36 and  name SG  ) 3.0 0.1 0.1
assign (resid   16 and  name SG  )(resid   36 and  name SG  ) 2.0 0.1 0.1
assign (resid   16 and  name SG  )(resid   36 and  name CB  ) 3.0 0.1 0.1
assign (resid   16 and  name HA  )(resid   17 and  name HN  ) 4.0 2.2 1.0
assign (resid   16 and  name HB# )(resid   17 and  name HN  ) 4.0 3.2 2.0
assign (resid   16 and  name HN  )(resid   17 and  name HN  ) 4.0 2.2 1.0
assign (resid   16 and  name HA  )(resid   18 and  name HN  ) 4.0 2.2 1.0
assign (resid   16 and  name HB# )(resid   18 and  name HN  ) 4.0 3.2 2.0
assign (resid   16 and  name HA  )(resid   21 and  name HD# ) 3.0 3.2 2.3
assign (resid   16 and  name HA  )(resid   21 and  name HE# ) 3.0 3.2 2.3
assign (resid   16 and  name HB# )(resid   21 and  name HD# ) 3.0 4.2 3.3
assign (resid   16 and  name HB# )(resid   21 and  name HE# ) 3.0 4.2 3.3
assign (resid   16 and  name HA  )(resid   36 and  name HB# ) 4.0 3.2 2.0
assign (resid   16 and  name HB# )(resid   36 and  name HA  ) 4.0 3.2 2.0
assign (resid   16 and  name HB# )(resid   36 and  name HB# ) 4.0 4.2 3.0
assign (resid   16 and  name HN  )(resid   42 and  name HA  ) 3.0 1.2 0.3
assign (resid   16 and  name HB# )(resid   42 and  name HA  ) 4.0 3.2 2.0
!! LEU 17
assign (resid   17 and  name HN  )(resid   17 and  name HB# ) 4.0 2.8 1.6
assign (resid   17 and  name HN  )(resid   17 and  name HG  ) 3.0 1.2 0.3
assign (resid   17 and  name HA  )(resid   17 and  name HB# ) 4.0 2.8 1.6
assign (resid   17 and  name HA  )(resid   17 and  name HG  ) 4.0 2.2 1.0
assign (resid   17 and  name HA  )(resid   17 and  name HD# ) 4.0 5.1 3.9
assign (resid   17 and  name HB# )(resid   17 and  name HG  ) 4.0 3.2 2.0
assign (resid   17 and  name HB# )(resid   17 and  name HD# ) 4.0 5.1 3.9
assign (resid   17 and  name HG  )(resid   17 and  name HD# ) 3.0 4.1 3.2
assign (resid   17 and  name HA  )(resid   18 and  name HN  ) 4.0 2.2 1.0
assign (resid   17 and  name HB# )(resid   18 and  name HN  ) 3.0 2.2 1.3
assign (resid   17 and  name HG  )(resid   18 and  name HN  ) 3.0 2.2 1.3
assign (resid   17 and  name HN  )(resid   18 and  name HN  ) 3.0 1.2 0.3
assign (resid   17 and  name HN  )(resid   21 and  name HD# ) 4.0 4.2 3.0
assign (resid   17 and  name HN  )(resid   21 and  name HE# ) 4.0 4.2 3.0
!! LYS 18
assign (resid   18 and  name HN  )(resid   18 and  name HA  ) 4.0 2.2 1.0
assign (resid   18 and  name HN  )(resid   18 and  name HB# ) 4.0 2.8 1.6
assign (resid   18 and  name HN  )(resid   18 and  name HG# ) 4.0 3.2 2.0
assign (resid   18 and  name HA  )(resid   18 and  name HB# ) 3.0 1.8 0.9
assign (resid   18 and  name HA  )(resid   18 and  name HG# ) 4.0 2.8 1.6
assign (resid   18 and  name HA  )(resid   19 and  name HN  ) 3.0 1.2 0.3
assign (resid   18 and  name HB# )(resid   19 and  name HN  ) 4.0 3.2 2.0
assign (resid   18 and  name HN  )(resid   20 and  name HN  ) 4.0 2.2 1.0
assign (resid   18 and  name HB# )(resid   20 and  name HN  ) 4.0 3.2 2.0
assign (resid   18 and  name HB# )(resid   21 and  name HN  ) 4.0 3.2 2.0
!! ASP 19 g2t3 upfield=B1, downfield=B2
assign (resid   19 and  name HN  )(resid   19 and  name HA  ) 4.0 2.2 1.0
assign (resid   19 and  name HN  )(resid   19 and  name HB1 ) 3.0 1.2 0.3
assign (resid   19 and  name HN  )(resid   19 and  name HB2 ) 3.0 1.2 0.3
assign (resid   19 and  name HA  )(resid   19 and  name HB1 ) 4.0 2.2 1.0
assign (resid   19 and  name HA  )(resid   19 and  name HB2 ) 2.5 0.7 0.3
assign (resid   19 and  name HA  )(resid   20 and  name HN  ) 4.0 2.2 1.0 
assign (resid   19 and  name HB1 )(resid   20 and  name HN  ) 4.0 2.2 1.0
assign (resid   19 and  name HB2 )(resid   20 and  name HN  ) 4.0 2.2 1.0
assign (resid   19 and  name HN  )(resid   20 and  name HN  ) 4.0 2.2 1.0
assign (resid   19 and  name HA  )(resid   22 and  name HB1 ) 4.0 2.2 1.0
assign (resid   19 and  name HA  )(resid   22 and  name HB2 ) 4.0 2.2 1.0
assign (resid   19 and  name HA  )(resid   35 and  name HA  ) 4.0 2.2 1.0
assign (resid   19 and  name HA  )(resid   35 and  name HB1 ) 4.0 2.2 1.0
assign (resid   19 and  name HA  )(resid   35 and  name HB2 ) 4.0 2.2 1.0
assign (resid   19 and  name HB1 )(resid   35 and  name HA  ) 4.0 2.2 1.0
assign (resid   19 and  name HB2 )(resid   35 and  name HA  ) 4.0 2.2 1.0
assign (resid   19 and  name HA  )(resid   36 and  name HN  ) 2.5 0.7 0.2
assign (resid   19 and  name HA  )(resid   36 and  name HB1 ) 4.0 2.2 1.0
assign (resid   19 and  name HA  )(resid   36 and  name HB2 ) 4.0 2.2 1.0
assign (resid   19 and  name HB1 )(resid   36 and  name HN  ) 4.0 2.2 1.0
assign (resid   19 and  name HB2 )(resid   36 and  name HN  ) 4.0 2.2 1.0
!! ASP 20 g2g3, DF=B
assign (resid   20 and  name HN  )(resid   20 and  name HA  ) 3.0 1.2 0.3
assign (resid   20 and  name HN  )(resid   20 and  name HB1 ) 3.0 1.2 0.3
assign (resid   20 and  name HN  )(resid   20 and  name HB2 ) 3.0 1.2 0.3
assign (resid   20 and  name HA  )(resid   20 and  name HB1 ) 3.0 1.2 0.3
assign (resid   20 and  name HA  )(resid   20 and  name HB2 ) 4.0 2.2 1.0
assign (resid   20 and  name HA  )(resid   21 and  name HN  ) 4.0 2.2 1.0
assign (resid   20 and  name HB1 )(resid   21 and  name HN  ) 4.0 2.2 1.0
assign (resid   20 and  name HB2 )(resid   21 and  name HN  ) 4.0 2.2 1.0
assign (resid   20 and  name HN  )(resid   21 and  name HN  ) 3.0 1.2 0.3
assign (resid   20 and  name HB# )(resid   21 and  name HD# ) 4.0 5.2 4.0
assign (resid   20 and  name HA  )(resid   23 and  name HN  ) 4.0 2.2 1.0
assign (resid   20 and  name HA  )(resid   23 and  name HB1 ) 2.5 0.7 0.2
assign (resid   20 and  name HA  )(resid   23 and  name HB2 ) 4.0 2.2 1.0
assign (resid   20 and  name HA  )(resid   23 and  name HD# ) 4.0 3.2 2.0
assign (resid   20 and  name HA  )(resid   24 and  name HN  ) 4.0 2.2 1.0
!! TYR 21 g2t3 upfield=B1, downfield=B2
assign (resid   21 and  name HN  )(resid   21 and  name HA  ) 3.0 1.2 0.3
assign (resid   21 and  name HN  )(resid   21 and  name HB1 ) 2.5 0.7 0.2
assign (resid   21 and  name HN  )(resid   21 and  name HB2 ) 2.5 0.7 0.2
assign (resid   21 and  name HA  )(resid   21 and  name HB1 ) 3.0 1.2 0.3
assign (resid   21 and  name HA  )(resid   21 and  name HB2 ) 2.5 0.7 0.2
assign (resid   21 and  name HD# )(resid   21 and  name HN  ) 4.0 4.2 3.0
assign (resid   21 and  name HD# )(resid   21 and  name HA  ) 2.5 1.7 1.2
assign (resid   21 and  name HD# )(resid   21 and  name HB1 ) 2.5 2.7 2.2
assign (resid   21 and  name HD# )(resid   21 and  name HB2 ) 2.5 2.7 2.2
assign (resid   21 and  name HE# )(resid   21 and  name HA  ) 4.0 2.8 1.6
assign (resid   21 and  name HE# )(resid   21 and  name HB1 ) 4.0 4.2 3.0
assign (resid   21 and  name HE# )(resid   21 and  name HB2 ) 4.0 4.2 3.0
assign (resid   21 and  name HA  )(resid   22 and  name HN  ) 4.0 2.2 1.0
assign (resid   21 and  name HB1 )(resid   22 and  name HN  ) 3.0 1.2 0.3
assign (resid   21 and  name HB2 )(resid   22 and  name HN  ) 4.0 2.2 1.0
assign (resid   21 and  name HN  )(resid   22 and  name HN  ) 3.0 1.2 0.3
assign (resid   21 and  name HD# )(resid   22 and  name HA  ) 4.0 4.2 3.0
assign (resid   21 and  name HE# )(resid   22 and  name HA  ) 4.0 4.2 3.0
assign (resid   21 and  name HA  )(resid   24 and  name HN  ) 4.0 2.2 1.0
assign (resid   21 and  name HA  )(resid   24 and  name HB1 ) 3.0 2.2 1.3
assign (resid   21 and  name HA  )(resid   24 and  name HB2 ) 4.0 2.2 1.0
assign (resid   21 and  name HE# )(resid   25 and  name HD1#) 3.0 4.1 3.2
assign (resid   21 and  name HE# )(resid   25 and  name HD2#) 3.0 4.1 3.2
assign (resid   21 and  name HD# )(resid   43 and  name HB# ) 4.0 5.2 4.0
assign (resid   21 and  name HE# )(resid   43 and  name HB# ) 4.0 5.2 4.0
!! CYS 22 (disulfide to CYS 43) t2g3, upfield=B2, downfield=B1 
assign (resid   22 and  name HN  )(resid   22 and  name HA  ) 4.0 2.2 1.0
assign (resid   22 and  name HN  )(resid   22 and  name HB1 ) 4.0 2.2 1.0
assign (resid   22 and  name HN  )(resid   22 and  name HB2 ) 2.5 0.7 0.2
assign (resid   22 and  name HA  )(resid   22 and  name HB1 ) 2.5 0.7 0.2
assign (resid   22 and  name HA  )(resid   22 and  name HB2 ) 3.0 1.2 0.3
assign (resid   22 and  name HA  )(resid   25 and  name HN  ) 4.0 2.2 1.0
assign (resid   22 and  name CB  )(resid   43 and  name SG  ) 3.0 0.1 0.1
assign (resid   22 and  name SG  )(resid   43 and  name SG  ) 2.0 0.1 0.1
assign (resid   22 and  name SG  )(resid   43 and  name CB  ) 3.0 0.1 0.1
assign (resid   22 and  name HA  )(resid   23 and  name HN  ) 4.0 2.2 1.0
assign (resid   22 and  name HB2 )(resid   23 and  name HN  ) 4.0 3.2 2.0
assign (resid   22 and  name HB1 )(resid   23 and  name HN  ) 3.0 1.2 0.3
assign (resid   22 and  name HN  )(resid   23 and  name HN  ) 3.0 1.2 0.3
assign (resid   22 and  name HN  )(resid   24 and  name HN  ) 4.0 2.2 1.0
assign (resid   22 and  name HA  )(resid   25 and  name HN  ) 4.0 2.2 1.0
assign (resid   22 and  name HA  )(resid   25 and  name HB# ) 3.0 2.2 1.3
assign (resid   22 and  name HA  )(resid   25 and  name HD# ) 4.0 3.7 2.5
assign (resid   22 and  name HA  )(resid   26 and  name HN  ) 4.0 2.2 1.0
assign (resid   22 and  name HB1 )(resid   35 and  name HA  ) 4.0 2.2 1.0
assign (resid   22 and  name HB2 )(resid   35 and  name HA  ) 4.0 2.2 1.0
!! ASN 23 g2t3, downfield=B1, upfield=B2
assign (resid   23 and  name HN  )(resid   23 and  name HA  ) 4.0 2.2 1.0
assign (resid   23 and  name HN  )(resid   23 and  name HB1 ) 2.5 0.7 0.2
assign (resid   23 and  name HN  )(resid   23 and  name HB2 ) 2.5 0.7 0.2
assign (resid   23 and  name HA  )(resid   23 and  name HB1 ) 3.0 1.2 0.3
assign (resid   23 and  name HA  )(resid   23 and  name HB2 ) 2.5 0.7 0.2
assign (resid   23 and  name HD21)(resid   23 and  name HB1 ) 3.0 1.2 0.3
assign (resid   23 and  name HD21)(resid   23 and  name HB2 ) 3.0 1.2 0.3
assign (resid   23 and  name HD22)(resid   23 and  name HB1 ) 4.0 2.2 1.0
assign (resid   23 and  name HD22)(resid   23 and  name HB2 ) 4.0 2.2 1.0
assign (resid   23 and  name HA  )(resid   24 and  name HN  ) 4.0 2.2 1.0
assign (resid   23 and  name HB1 )(resid   24 and  name HN  ) 3.0 1.2 0.3
assign (resid   23 and  name HB2 )(resid   24 and  name HN  ) 3.0 1.2 0.3
assign (resid   23 and  name HN  )(resid   24 and  name HN  ) 2.5 0.7 0.2
assign (resid   23 and  name HN  )(resid   25 and  name HN  ) 4.0 2.2 1.0
assign (resid   23 and  name HA  )(resid   26 and  name HB1 ) 3.0 1.2 0.3
assign (resid   23 and  name HA  )(resid   26 and  name HB2 ) 3.0 1.2 0.3
assign (resid   23 and  name HA  )(resid   26 and  name HN  ) 4.0 2.2 1.0
assign (resid   23 and  name HD21)(resid   27 and  name HD# ) 3.0 4.1 3.2
assign (resid   23 and  name HD22)(resid   27 and  name HD# ) 3.0 4.1 3.2
assign (resid   23 and  name HA  )(resid   27 and  name HN  ) 4.0 2.2 1.0
assign (resid   23 and  name HA  )(resid   34 and  name HN  ) 2.5 0.7 0.2
!! ASP 24 g2t3, downfield=B1, upfield=B2.
assign (resid   24 and  name HN  )(resid   24 and  name HA  ) 3.0 1.2 0.3
assign (resid   24 and  name HN  )(resid   24 and  name HB1 ) 2.5 0.7 0.2
assign (resid   24 and  name HN  )(resid   24 and  name HB2 ) 2.5 0.7 0.2
assign (resid   24 and  name HA  )(resid   24 and  name HB1 ) 3.0 1.2 0.3
assign (resid   24 and  name HA  )(resid   24 and  name HB2 ) 2.5 0.7 0.2
assign (resid   24 and  name HA  )(resid   25 and  name HN  ) 4.0 2.2 1.0
assign (resid   24 and  name HB1 )(resid   25 and  name HN  ) 3.0 1.2 0.3
assign (resid   24 and  name HB2 )(resid   25 and  name HN  ) 3.0 1.2 0.3
assign (resid   24 and  name HN  )(resid   25 and  name HN  ) 3.0 1.2 0.3
assign (resid   24 and  name HA  )(resid   27 and  name HN  ) 4.0 2.2 1.0
assign (resid   24 and  name HA  )(resid   27 and  name HB# ) 2.5 1.7 1.2
assign (resid   24 and  name HA  )(resid   27 and  name HG  ) 4.0 2.2 1.0
assign (resid   24 and  name HA  )(resid   27 and  name HD# ) 3.0 4.1 3.2
assign (resid   24 and  name HA  )(resid   28 and  name HN  ) 4.0 2.2 1.0
!! LEU 25
assign (resid   25 and  name HN  )(resid   25 and  name HA  ) 2.5 0.7 0.2
assign (resid   25 and  name HN  )(resid   25 and  name HB1 ) 2.5 0.7 0.2
assign (resid   25 and  name HN  )(resid   25 and  name HB2 ) 2.5 0.7 0.2
assign (resid   25 and  name HN  )(resid   25 and  name HG  ) 4.0 2.2 1.0
assign (resid   25 and  name HN  )(resid   25 and  name HD1#) 4.0 3.3 2.1
assign (resid   25 and  name HN  )(resid   25 and  name HD2#) 4.0 3.3 2.1
assign (resid   25 and  name HA  )(resid   25 and  name HB# ) 3.0 2.2 1.3
assign (resid   25 and  name HA  )(resid   25 and  name HG  ) 3.0 1.2 0.3
assign (resid   25 and  name HA  )(resid   25 and  name HD1#) 4.0 3.3 2.1
assign (resid   25 and  name HA  )(resid   25 and  name HD2#) 4.0 3.3 2.1
assign (resid   25 and  name HA  )(resid   26 and  name HN  ) 4.0 2.2 1.0
assign (resid   25 and  name HB# )(resid   26 and  name HN  ) 3.0 2.2 1.3
assign (resid   25 and  name HG  )(resid   26 and  name HN  ) 4.0 2.2 1.0
assign (resid   25 and  name HD1#)(resid   26 and  name HN  ) 4.0 3.3 2.1
assign (resid   25 and  name HD2#)(resid   26 and  name HN  ) 4.0 3.3 2.1
assign (resid   25 and  name HN  )(resid   26 and  name HN  ) 3.0 1.2 0.3
assign (resid   25 and  name HD1#)(resid   26 and  name HA  ) 4.0 3.3 2.1
assign (resid   25 and  name HD2#)(resid   26 and  name HA  ) 4.0 3.3 2.1
assign (resid   25 and  name HD# )(resid   26 and  name HB2 ) 4.0 5.1 3.9
assign (resid   25 and  name HA  )(resid   26 and  name HN  ) 4.0 2.2 1.0
assign (resid   25 and  name HD# )(resid   27 and  name HN  ) 4.0 5.1 3.9
assign (resid   25 and  name HN  )(resid   27 and  name HN  ) 4.0 2.2 1.0
assign (resid   25 and  name HA  )(resid   28 and  name HN  ) 4.0 2.2 1.0
assign (resid   25 and  name HA  )(resid   28 and  name HB# ) 3.0 2.2 1.3
assign (resid   25 and  name HD# )(resid   28 and  name HN  ) 4.0 5.1 3.9
assign (resid   25 and  name HD1#)(resid   28 and  name HB# ) 4.0 4.3 3.1
assign (resid   25 and  name HD2#)(resid   28 and  name HB# ) 4.0 4.3 3.1
assign (resid   25 and  name HD1#)(resid   29 and  name HD1 ) 4.0 3.3 2.1
assign (resid   25 and  name HD1#)(resid   29 and  name HD2 ) 4.0 3.3 2.1
assign (resid   25 and  name HD2#)(resid   29 and  name HD1 ) 4.0 3.3 2.1
assign (resid   25 and  name HD2#)(resid   29 and  name HD2 ) 4.0 3.3 2.1
assign (resid   25 and  name HD1#)(resid   29 and  name HE  ) 4.0 3.3 2.1
assign (resid   25 and  name HD2#)(resid   29 and  name HE  ) 4.0 3.3 2.1
assign (resid   25 and  name HD# )(resid   43 and  name HA  ) 4.0 4.8 3.5
!! CYS 26 (disulfide to CYS 45) g2t3, downfield=B1, upfield=B2
assign (resid   26 and  name HN  )(resid   26 and  name HA  ) 2.5 0.7 0.2
assign (resid   26 and  name HN  )(resid   26 and  name HB2 ) 2.5 0.7 0.2
assign (resid   26 and  name HN  )(resid   26 and  name HB1 ) 3.0 1.2 0.3
assign (resid   26 and  name HA  )(resid   26 and  name HB2 ) 3.0 1.2 0.3
assign (resid   26 and  name HA  )(resid   26 and  name HB1 ) 3.0 1.2 0.3
assign (resid   26 and  name CB  )(resid   45 and  name SG  ) 3.0 0.1 0.1
assign (resid   26 and  name SG  )(resid   45 and  name SG  ) 2.0 0.1 0.1
assign (resid   26 and  name SG  )(resid   45 and  name CB  ) 3.0 0.1 0.1
assign (resid   26 and  name HA  )(resid   27 and  name HN  ) 4.0 2.2 1.0
assign (resid   26 and  name HB1 )(resid   27 and  name HN  ) 3.0 1.2 0.3
assign (resid   26 and  name HB2 )(resid   27 and  name HN  ) 3.0 1.2 0.3
assign (resid   26 and  name HN  )(resid   27 and  name HN  ) 2.5 0.7 0.2
assign (resid   26 and  name HB1 )(resid   27 and  name HD# ) 4.0 5.1 3.9
assign (resid   26 and  name HB2 )(resid   27 and  name HD# ) 4.0 5.1 3.9
assign (resid   26 and  name HA  )(resid   29 and  name HN  ) 4.0 2.2 1.0
assign (resid   26 and  name HA  )(resid   29 and  name HB# ) 3.0 2.2 1.3
assign (resid   26 and  name HA  )(resid   30 and  name HN  ) 4.0 2.2 1.0
assign (resid   26 and  name HA  )(resid   31 and  name HB# ) 4.0 3.3 2.1
assign (resid   26 and  name HB2 )(resid   31 and  name HB# ) 4.0 3.3 2.1
assign (resid   26 and  name HB1 )(resid   31 and  name HB# ) 4.0 3.3 2.1
assign (resid   26 and  name HA  )(resid   34 and  name HA# ) 4.0 3.2 2.0
assign (resid   26 and  name HB1 )(resid   34 and  name HA# ) 4.0 3.2 2.0
assign (resid   26 and  name HB2 )(resid   34 and  name HA# ) 4.0 3.2 2.0
assign (resid   26 and  name HN  )(resid   34 and  name HA# ) 4.0 3.2 2.0
assign (resid   26 and  name HB1 )(resid   45 and  name HA  ) 4.0 2.2 1.0
assign (resid   26 and  name HB2 )(resid   45 and  name HA  ) 4.0 2.2 1.0
!! LEU 27
assign (resid   27 and  name HN  )(resid   27 and  name HA  ) 2.5 0.7 0.2
assign (resid   27 and  name HN  )(resid   27 and  name HB# ) 3.0 1.8 0.9
assign (resid   27 and  name HN  )(resid   27 and  name HG  ) 3.0 2.2 0.3
assign (resid   27 and  name HN  )(resid   27 and  name HD# ) 4.0 5.1 3.9
assign (resid   27 and  name HA  )(resid   27 and  name HB# ) 2.5 2.2 1.3
assign (resid   27 and  name HA  )(resid   27 and  name HG  ) 3.0 1.2 0.3
assign (resid   27 and  name HA  )(resid   27 and  name HD# ) 2.5 5.1 3.9
assign (resid   27 and  name HB# )(resid   27 and  name HG  ) 4.0 3.2 2.0
assign (resid   27 and  name HB# )(resid   27 and  name HD# ) 2.5 6.1 4.9
assign (resid   27 and  name HG  )(resid   27 and  name HD# ) 2.5 5.1 3.9
assign (resid   27 and  name HA  )(resid   28 and  name HN  ) 4.0 2.2 1.0
assign (resid   27 and  name HB# )(resid   28 and  name HN  ) 3.0 2.2 1.3
assign (resid   27 and  name HG  )(resid   28 and  name HN  ) 4.0 2.2 1.0
assign (resid   27 and  name HD# )(resid   28 and  name HN  ) 4.0 5.1 3.9
assign (resid   27 and  name HN  )(resid   28 and  name HN  ) 2.5 0.7 0.2
assign (resid   27 and  name HA  )(resid   30 and  name HN  ) 4.0 2.2 1.0
assign (resid   27 and  name HD# )(resid   30 and  name HN  ) 4.0 5.1 3.9
assign (resid   27 and  name HA  )(resid   31 and  name HN  ) 3.0 1.2 0.3
assign (resid   27 and  name HD# )(resid   32 and  name HA  ) 4.0 4.7 3.5
!!assign (resid   27 and  name HN  )(resid   55 and  name HA  ) 4.0 2.2 1.0
!! GLU 28
assign (resid   28 and  name HN  )(resid   28 and  name HA  ) 2.5 0.7 0.2
assign (resid   28 and  name HN  )(resid   28 and  name HB# ) 2.5 1.3 0.8
assign (resid   28 and  name HN  )(resid   28 and  name HG# ) 4.0 3.2 2.0
assign (resid   28 and  name HA  )(resid   28 and  name HB# ) 2.5 1.3 0.8
assign (resid   28 and  name HA  )(resid   28 and  name HG# ) 4.0 2.8 1.6
assign (resid   28 and  name HB# )(resid   28 and  name HG# ) 4.0 4.2 3.0
assign (resid   28 and  name HA  )(resid   29 and  name HN  ) 3.0 1.2 0.3 
assign (resid   28 and  name HB# )(resid   29 and  name HN  ) 4.0 3.2 2.0
assign (resid   28 and  name HN  )(resid   29 and  name HN  ) 2.5 0.7 0.2
!! ARG 29
assign (resid   29 and  name HN  )(resid   29 and  name HA  ) 2.5 0.7 0.2
assign (resid   29 and  name HN  )(resid   29 and  name HB# ) 2.5 1.3 0.8
assign (resid   29 and  name HN  )(resid   29 and  name HG# ) 4.0 3.2 2.0
assign (resid   29 and  name HA  )(resid   29 and  name HB# ) 2.5 1.3 0.8
assign (resid   29 and  name HA  )(resid   29 and  name HG# ) 3.0 1.8 0.9
assign (resid   29 and  name HA  )(resid   29 and  name HD# ) 4.0 3.2 2.0
assign (resid   29 and  name HB# )(resid   29 and  name HG# ) 3.0 3.2 2.3
assign (resid   29 and  name HB# )(resid   29 and  name HD# ) 4.0 4.2 3.0
assign (resid   29 and  name HG# )(resid   29 and  name HD# ) 2.5 1.7 2.2
assign (resid   29 and  name HA  )(resid   30 and  name HN  ) 3.0 1.2 0.3
assign (resid   29 and  name HN  )(resid   30 and  name HN  ) 3.0 1.2 0.3
assign (resid   29 and  name HN  )(resid   31 and  name HN  ) 4.0 2.2 1.0
assign (resid   29 and  name HD# )(resid   48 and  name HD# ) 4.0 5.7 4.5
assign (resid   29 and  name HN  )(resid   48 and  name HD# ) 4.0 4.7 3.5
!! LYS 30
assign (resid   30 and  name HN  )(resid   30 and  name HA  ) 2.5 0.7 0.2
assign (resid   30 and  name HN  )(resid   30 and  name HB# ) 4.0 2.8 1.6
assign (resid   30 and  name HN  )(resid   30 and  name HG# ) 4.0 3.2 2.0
assign (resid   30 and  name HN  )(resid   30 and  name HD# ) 4.0 3.2 2.0
assign (resid   30 and  name HA  )(resid   30 and  name HB# ) 2.5 1.3 0.8
assign (resid   30 and  name HA  )(resid   30 and  name HG# ) 3.0 1.8 0.9
assign (resid   30 and  name HA  )(resid   30 and  name HD# ) 4.0 3.2 2.0
assign (resid   30 and  name HA  )(resid   31 and  name HN  ) 3.0 1.2 0.3
assign (resid   30 and  name HB# )(resid   31 and  name HN  ) 4.0 3.2 2.0
assign (resid   30 and  name HN  )(resid   31 and  name HN  ) 3.0 1.2 0.3
assign (resid   30 and  name HD1 )(resid   47 and  name HA1 ) 4.0 2.2 1.0
assign (resid   30 and  name HD1 )(resid   47 and  name HA2 ) 4.0 2.2 1.0
assign (resid   30 and  name HD2 )(resid   47 and  name HA1 ) 4.0 2.2 1.0
assign (resid   30 and  name HD2 )(resid   47 and  name HA2 ) 4.0 2.2 1.0
assign (resid   30 and  name HG# )(resid   47 and  name HA# ) 4.0 4.2 3.0
!! ALA 31
assign (resid   31 and  name HN  )(resid   31 and  name HA  ) 3.0 1.2 0.3
assign (resid   31 and  name HN  )(resid   31 and  name HB# ) 2.5 1.1 0.6
assign (resid   31 and  name HA  )(resid   31 and  name HB# ) 2.5 1.1 0.6
assign (resid   31 and  name HA  )(resid   32 and  name HN  ) 2.5 0.7 0.2
assign (resid   31 and  name HB# )(resid   32 and  name HN  ) 2.5 1.4 0.9
assign (resid   31 and  name HA  )(resid   33 and  name HN  ) 4.0 2.2 1.0
assign (resid   31 and  name HB# )(resid   33 and  name HN  ) 3.0 2.1 1.2
assign (resid   31 and  name HB# )(resid   46 and  name HN  ) 4.0 3.3 2.1
assign (resid   31 and  name HB# )(resid   45 and  name HA  ) 4.0 3.3 2.1
assign (resid   31 and  name HB# )(resid   45 and  name HB1 ) 4.0 3.3 2.1
assign (resid   31 and  name HB# )(resid   45 and  name HB2 ) 4.0 3.3 2.1
assign (resid   46 and  name HN  )(resid   31 and  name HB# ) 4.0 3.3 2.1
assign (resid   48 and  name HD# )(resid   31 and  name HN  ) 4.0 5.1 3.9
!! ASP 32 g2t3, upfield=B1, downfield=B2.
assign (resid   32 and  name HN  )(resid   32 and  name HA  ) 2.5 0.7 0.2
assign (resid   32 and  name HN  )(resid   32 and  name HB1 ) 2.5 0.7 0.2
assign (resid   32 and  name HN  )(resid   32 and  name HB2 ) 2.5 0.7 0.2
assign (resid   32 and  name HA  )(resid   32 and  name HB1 ) 3.0 1.2 0.3
assign (resid   32 and  name HA  )(resid   32 and  name HB2 ) 2.5 0.7 0.2
assign (resid   32 and  name HA  )(resid   33 and  name HN  ) 4.0 2.2 1.0
assign (resid   32 and  name HB1 )(resid   33 and  name HN  ) 3.0 1.2 0.3
assign (resid   32 and  name HB2 )(resid   33 and  name HN  ) 3.0 1.2 0.3
assign (resid   32 and  name HN  )(resid   33 and  name HN  ) 2.5 0.7 0.2
assign (resid   32 and  name HN  )(resid   47 and  name HA# ) 3.0 2.2 1.3
assign (resid   32 and  name HB1 )(resid   47 and  name HA# ) 4.0 3.2 2.0
assign (resid   32 and  name HB2 )(resid   47 and  name HA# ) 4.0 3.2 2.0
!! LYS 33
assign (resid   33 and  name HN  )(resid   33 and  name HB# ) 4.0 2.8 1.6
assign (resid   33 and  name HN  )(resid   33 and  name HG# ) 4.0 3.2 2.0
assign (resid   33 and  name HA  )(resid   33 and  name HB# ) 4.0 2.8 1.6
assign (resid   33 and  name HA  )(resid   34 and  name HN  ) 4.0 2.2 1.0
assign (resid   33 and  name HB# )(resid   34 and  name HN  ) 3.0 2.2 1.3
assign (resid   33 and  name HG# )(resid   34 and  name HN  ) 4.0 3.2 2.0
assign (resid   33 and  name HN  )(resid   34 and  name HN  ) 4.0 2.2 1.0
assign (resid   33 and  name HN  )(resid   45 and  name HA  ) 4.0 2.2 1.0
assign (resid   33 and  name HB# )(resid   46 and  name HN  ) 4.0 3.2 2.0
assign (resid   33 and  name HG# )(resid   46 and  name HN  ) 4.0 3.2 2.0
assign (resid   33 and  name HD# )(resid   46 and  name HN  ) 4.0 3.2 2.0
assign (resid   33 and  name HN  )(resid   46 and  name HB2 ) 4.0 2.2 1.0
assign (resid   33 and  name HN  )(resid   46 and  name HN  ) 3.0 1.2 0.3
assign (resid   33 and  name HB# )(resid   46 and  name HD# ) 4.0 5.2 4.0
assign (resid   33 and  name HB# )(resid   46 and  name HE# ) 4.0 5.2 4.0
assign (resid   33 and  name HG# )(resid   46 and  name HD# ) 3.0 4.2 3.3
assign (resid   33 and  name HG# )(resid   46 and  name HE# ) 4.0 5.2 4.0
assign (resid   33 and  name HD# )(resid   46 and  name HD# ) 3.0 4.2 3.3
!! GLY 34
assign (resid   34 and  name HN  )(resid   34 and  name HA# ) 4.0 3.2 2.0
assign (resid   34 and  name HA# )(resid   35 and  name HN  ) 4.0 3.2 2.0
assign (resid   34 and  name HN  )(resid   35 and  name HN  ) 4.0 2.2 1.0
assign (resid   34 and  name HA# )(resid   45 and  name HA  ) 3.0 2.2 1.3
assign (resid   34 and  name HA# )(resid   46 and  name HN  ) 4.0 3.2 2.0
assign (resid   34 and  name HA# )(resid   46 and  name HD# ) 4.0 5.2 4.0
assign (resid   34 and  name HA# )(resid   46 and  name HE# ) 4.0 5.2 4.0
!! TYR 35 g2g3 downfield=B1, upfield=B2 questionable assignment.
assign (resid   35 and  name HN  )(resid   35 and  name HA  ) 4.0 2.2 1.3
assign (resid   35 and  name HN  )(resid   35 and  name HB1 ) 4.0 2.2 1.3
assign (resid   35 and  name HN  )(resid   35 and  name HB2 ) 4.0 2.2 1.3
assign (resid   35 and  name HA  )(resid   35 and  name HB1 ) 2.5 0.7 0.2
assign (resid   35 and  name HA  )(resid   35 and  name HB2 ) 2.5 0.7 0.2
assign (resid   35 and  name HD# )(resid   35 and  name HA  ) 4.0 3.2 2.0
assign (resid   35 and  name HD# )(resid   35 and  name HB1 ) 2.5 2.7 2.2
assign (resid   35 and  name HD# )(resid   35 and  name HB2 ) 2.5 2.7 2.2
assign (resid   35 and  name HE# )(resid   35 and  name HB1 ) 4.0 4.2 3.0
assign (resid   35 and  name HE# )(resid   35 and  name HB2 ) 4.0 4.2 3.0
assign (resid   35 and  name HA  )(resid   36 and  name HN  ) 2.5 0.7 0.2
assign (resid   35 and  name HB1 )(resid   36 and  name HN  ) 3.0 1.2 0.3
assign (resid   35 and  name HB2 )(resid   36 and  name HN  ) 3.0 1.2 0.3
assign (resid   35 and  name HE# )(resid   37 and  name HD# ) 4.0 6.2 5.0
assign (resid   35 and  name HE# )(resid   37 and  name HE# ) 4.0 6.2 5.0
assign (resid   35 and  name HD# )(resid   37 and  name HN  ) 4.0 4.2 3.0
assign (resid   35 and  name HD# )(resid   44 and  name HB1 ) 4.0 4.2 3.0
assign (resid   35 and  name HD# )(resid   44 and  name HB2 ) 4.0 4.2 3.0
assign (resid   35 and  name HE# )(resid   44 and  name HB1 ) 4.0 4.2 3.0
assign (resid   35 and  name HE# )(resid   44 and  name HB2 ) 4.0 4.2 3.0
assign (resid   35 and  name HD# )(resid   44 and  name HD# ) 4.0 6.2 5.0
assign (resid   35 and  name HD# )(resid   44 and  name HE# ) 3.0 5.2 4.3
assign (resid   35 and  name HE# )(resid   44 and  name HD# ) 3.0 5.2 4.3
assign (resid   35 and  name HE# )(resid   44 and  name HE# ) 4.0 6.2 5.0
assign (resid   35 and  name HN  )(resid   45 and  name HA  ) 4.0 2.2 1.0
assign (resid   35 and  name HE# )(resid   46 and  name HD# ) 3.0 5.2 4.3
!! CYS 36 g2t3 downfield=B1, upfield=B2
assign (resid   36 and  name HN  )(resid   36 and  name HA  ) 4.0 2.2 1.3
assign (resid   36 and  name HN  )(resid   36 and  name HB1 ) 4.0 2.2 1.3
assign (resid   36 and  name HN  )(resid   36 and  name HB2 ) 2.5 0.7 0.2
assign (resid   36 and  name HA  )(resid   36 and  name HB1 ) 3.0 1.2 0.3
assign (resid   36 and  name HA  )(resid   36 and  name HB2 ) 3.0 1.2 0.3
assign (resid   36 and  name HA  )(resid   37 and  name HN  ) 3.0 1.2 0.3
assign (resid   36 and  name HB1 )(resid   37 and  name HN  ) 4.0 2.2 1.0
assign (resid   36 and  name HB2 )(resid   37 and  name HN  ) 4.0 2.2 1.0
assign (resid   36 and  name HN  )(resid   37 and  name HN  ) 4.0 2.2 1.0
assign (resid   36 and  name HA  )(resid   43 and  name HA  ) 3.0 1.2 0.3
assign (resid   36 and  name HB1 )(resid   43 and  name HA  ) 4.0 2.2 1.0
assign (resid   36 and  name HA  )(resid   44 and  name HN  ) 4.0 2.2 1.0
assign (resid   36 and  name HB2 )(resid   44 and  name HN  ) 4.0 2.2 1.0
!! TYR 37
assign (resid   37 and  name HN  )(resid   37 and  name HB1 ) 3.0 1.2 0.5
assign (resid   37 and  name HN  )(resid   37 and  name HB2 ) 3.0 1.2 0.5
assign (resid   37 and  name HD# )(resid   38 and  name HN  ) 4.0 3.2 2.0
assign (resid   37 and  name HN  )(resid   43 and  name HA  ) 4.0 2.2 1.0
assign (resid   37 and  name HN  )(resid   42 and  name HN  ) 4.0 2.2 1.0
assign (resid   37 and  name HB# )(resid   42 and  name HN  ) 4.0 3.2 2.0
assign (resid   37 and  name HB1 )(resid   44 and  name HB1 ) 4.0 2.2 1.0
assign (resid   37 and  name HB1 )(resid   44 and  name HB2 ) 4.0 2.2 1.0
assign (resid   37 and  name HB2 )(resid   44 and  name HB1 ) 4.0 2.2 1.0
assign (resid   37 and  name HB2 )(resid   44 and  name HB2 ) 4.0 2.2 1.0
assign (resid   37 and  name HD# )(resid   44 and  name HB1 ) 4.0 4.2 3.0
assign (resid   37 and  name HD# )(resid   44 and  name HB2 ) 4.0 4.2 3.0
assign (resid   37 and  name HD# )(resid   44 and  name HD# ) 4.0 6.2 5.0
!! TRP 38 chi = -60, B1 is downfield
assign (resid   38 and  name HN  )(resid   38 and  name HA  ) 4.0 2.2 1.0
assign (resid   38 and  name HN  )(resid   38 and  name HB# ) 3.0 2.2 1.3
assign (resid   38 and  name HA  )(resid   38 and  name HB# ) 3.0 2.2 1.3
assign (resid   38 and  name HN  )(resid   38 and  name HD1 ) 4.0 2.2 1.0
assign (resid   38 and  name HE3 )(resid   38 and  name HB1 ) 4.0 2.2 1.0
assign (resid   38 and  name HD1 )(resid   38 and  name HB2 ) 4.0 2.2 1.0
assign (resid   38 and  name HZ2 )(resid   17 and  name HA  ) 4.0 2.2 1.0
assign (resid   38 and  name HD1 )(resid   17 and  name HA  ) 4.0 2.2 1.0
assign (resid   38 and  name HZ2 )(resid   17 and  name HD# ) 4.0 4.8 3.5
!! GLY 39
assign (resid   39 and  name HN  )(resid   39 and  name HA# ) 3.0 2.2 1.3
assign (resid   39 and  name HA# )(resid   40 and  name HN  ) 4.0 3.2 2.0
assign (resid   39 and  name HN  )(resid   40 and  name HN  ) 4.0 2.2 1.0
!! LYS 40
assign (resid   40 and  name HN  )(resid   41 and  name HN  ) 3.0 1.2 0.3
!! VAL 41
assign (resid   41 and  name HN  )(resid   41 and  name HA  ) 4.0 2.2 1.0
assign (resid   41 and  name HN  )(resid   41 and  name HB  ) 4.0 2.2 1.0
assign (resid   41 and  name HN  )(resid   41 and  name HG1#) 4.0 3.7 2.5
assign (resid   41 and  name HN  )(resid   41 and  name HG2#) 4.0 3.7 2.5
assign (resid   41 and  name HA  )(resid   42 and  name HN  ) 4.0 2.2 1.0
assign (resid   41 and  name HB  )(resid   42 and  name HN  ) 3.0 1.2 1.0
assign (resid   41 and  name HN  )(resid   42 and  name HN  ) 4.0 2.2 1.0
assign (resid   41 and  name HG# )(resid   42 and  name HN  ) 3.0 3.6 2.7
!! SER 42 t2g3 downfield=B1, upfield=B2
assign (resid   42 and  name HN  )(resid   42 and  name HA  ) 4.0 2.2 1.0
assign (resid   42 and  name HN  )(resid   42 and  name HB2 ) 4.0 2.2 1.0
assign (resid   42 and  name HA  )(resid   42 and  name HB1 ) 2.5 0.7 0.2
assign (resid   42 and  name HA  )(resid   42 and  name HB2 ) 3.0 1.2 0.3
assign (resid   42 and  name HA  )(resid   43 and  name HN  ) 2.5 0.7 0.2
assign (resid   42 and  name HB1 )(resid   43 and  name HN  ) 4.0 2.2 1.0
assign (resid   42 and  name HB2 )(resid   43 and  name HN  ) 4.0 2.2 1.0
!! CYS 43
assign (resid   43 and  name HN  )(resid   43 and  name HA  ) 4.0 2.2 1.0
assign (resid   43 and  name HN  )(resid   43 and  name HB1 ) 4.0 2.2 1.0
assign (resid   43 and  name HN  )(resid   43 and  name HB2 ) 4.0 2.2 1.0
assign (resid   43 and  name HA  )(resid   43 and  name HB1 ) 3.0 1.2 0.3
assign (resid   43 and  name HA  )(resid   43 and  name HB2 ) 3.0 1.2 0.3
assign (resid   43 and  name HA  )(resid   44 and  name HN  ) 2.5 0.7 0.2
assign (resid   43 and  name HB# )(resid   44 and  name HN  ) 4.0 3.2 2.0
!! TYR 44 (note C2 is upfield a/c to C3) g2t3 downfield=B1, upfield=B2
assign (resid   44 and  name HN  )(resid   44 and  name HB1 ) 4.0 2.2 1.0
assign (resid   44 and  name HN  )(resid   44 and  name HB2 ) 4.0 2.2 1.0
assign (resid   44 and  name HA  )(resid   44 and  name HB1 ) 4.0 2.2 1.0
assign (resid   44 and  name HA  )(resid   44 and  name HB2 ) 3.0 1.2 0.3
assign (resid   44 and  name HA  )(resid   44 and  name HD# ) 4.0 4.2 3.0
assign (resid   44 and  name HA  )(resid   44 and  name HE# ) 4.0 4.2 3.0
assign (resid   44 and  name HB1 )(resid   44 and  name HD# ) 2.5 2.7 2.2
assign (resid   44 and  name HB2 )(resid   44 and  name HD# ) 2.5 2.7 2.2
assign (resid   44 and  name HB1 )(resid   44 and  name HE# ) 4.0 4.2 3.0
assign (resid   44 and  name HB2 )(resid   44 and  name HE# ) 4.0 4.2 3.0
assign (resid   44 and  name HA  )(resid   45 and  name HN  ) 3.0 1.2 0.3
assign (resid   44 and  name HD# )(resid   45 and  name HN  ) 4.0 4.2 3.0
assign (resid   44 and  name HD# )(resid   46 and  name HA  ) 4.0 4.2 3.0
assign (resid   44 and  name HE# )(resid   46 and  name HA  ) 4.0 4.2 3.0
assign (resid   44 and  name HD# )(resid   46 and  name HD# ) 4.0 6.2 5.0
assign (resid   44 and  name HD# )(resid   46 and  name HE# ) 3.0 5.2 4.3
assign (resid   44 and  name HE# )(resid   46 and  name HD# ) 4.0 6.2 5.0
assign (resid   44 and  name HE# )(resid   46 and  name HE# ) 3.0 5.2 4.3
!! CYS 45 g2t3 upfield=B1, downfield=B2
!! 18oct93 make t2g3 uf=b1, df=b2
assign (resid   45 and  name HN  )(resid   45 and  name HA  ) 3.0 1.2 0.3
assign (resid   45 and  name HN  )(resid   45 and  name HB1 ) 4.0 2.2 1.0
assign (resid   45 and  name HN  )(resid   45 and  name HB2 ) 3.0 1.2 0.3 
assign (resid   45 and  name HA  )(resid   45 and  name HB1 ) 2.5 0.7 0.2
assign (resid   45 and  name HA  )(resid   45 and  name HB2 ) 3.0 1.2 0.3
assign (resid   45 and  name HA  )(resid   46 and  name HN  ) 2.5 0.7 0.2
assign (resid   45 and  name HB1 )(resid   46 and  name HN  ) 4.0 2.2 1.0
assign (resid   45 and  name HB2 )(resid   46 and  name HN  ) 3.0 1.2 0.3
assign (resid   45 and  name HA  )(resid   48 and  name HD1#) 4.0 3.3 2.1
assign (resid   45 and  name HA  )(resid   48 and  name HD2#) 4.0 3.3 2.1
assign (resid   45 and  name HB1 )(resid   48 and  name HD1#) 3.0 2.1 1.2
assign (resid   45 and  name HB1 )(resid   48 and  name HD2#) 3.0 2.1 1.2
assign (resid   45 and  name HB2 )(resid   48 and  name HD1#) 3.0 2.1 1.2
assign (resid   45 and  name HB2 )(resid   48 and  name HD2#) 3.0 2.1 1.2
assign (resid   45 and  name HA  )(resid   48 and  name HG  ) 4.0 2.2 1.0
assign (resid   45 and  name HB1 )(resid   48 and  name HG  ) 3.0 1.2 0.3
assign (resid   45 and  name HB2 )(resid   48 and  name HG  ) 3.0 1.2 0.3
!! TYR 46 t2g3 upfield=B1, downfield=B2.
assign (resid   46 and  name HN  )(resid   46 and  name HA  ) 3.0 1.2 0.3
assign (resid   46 and  name HN  )(resid   46 and  name HB1 ) 4.0 2.2 1.0
assign (resid   46 and  name HN  )(resid   46 and  name HB2 ) 2.5 0.7 0.2
assign (resid   46 and  name HA  )(resid   46 and  name HB2 ) 3.0 1.2 0.3
assign (resid   46 and  name HA  )(resid   46 and  name HB1 ) 2.5 0.7 0.2
assign (resid   46 and  name HA  )(resid   47 and  name HN  ) 2.5 0.7 0.2
assign (resid   46 and  name HB1 )(resid   47 and  name HN  ) 4.0 2.2 1.0
assign (resid   46 and  name HB2 )(resid   47 and  name HN  ) 4.0 2.2 1.0
assign (resid   46 and  name HN  )(resid   47 and  name HN  ) 4.0 2.2 1.0
!! GLY 47
assign (resid   47 and  name HN  )(resid   47 and  name HA# ) 2.5 1.7 1.2
assign (resid   47 and  name HA# )(resid   48 and  name HN  ) 2.5 1.7 1.2
assign (resid   47 and  name HN  )(resid   48 and  name HN  ) 3.0 1.2 0.3
!! LEU 48
assign (resid   48 and  name HN  )(resid   48 and  name HA  ) 3.0 1.2 0.3
assign (resid   48 and  name HN  )(resid   48 and  name HB# ) 2.5 1.7 1.2
assign (resid   48 and  name HN  )(resid   48 and  name HG  ) 2.5 0.7 0.2
assign (resid   48 and  name HN  )(resid   48 and  name HD# ) 3.0 4.1 3.2
assign (resid   48 and  name HA  )(resid   48 and  name HB# ) 3.0 2.2 1.3
assign (resid   48 and  name HA  )(resid   48 and  name HG  ) 3.0 1.2 0.3
assign (resid   48 and  name HA  )(resid   48 and  name HD# ) 4.0 5.1 3.9
assign (resid   48 and  name HB# )(resid   48 and  name HG  ) 3.0 2.2 1.3
assign (resid   48 and  name HB# )(resid   48 and  name HD# ) 3.0 4.1 3.2
assign (resid   48 and  name HG  )(resid   48 and  name HD# ) 3.0 4.1 3.2
assign (resid   48 and  name HN  )(resid   49 and  name HD# ) 4.0 3.2 2.0
assign (resid   48 and  name HA  )(resid   49 and  name HD# ) 3.0 2.2 1.3
assign (resid   48 and  name HB# )(resid   49 and  name HD# ) 4.0 4.2 3.0 
assign (resid   48 and  name HG  )(resid   49 and  name HD# ) 4.0 3.2 2.0
assign (resid   48 and  name HD1#)(resid   49 and  name HD# ) 3.0 3.1 2.2
assign (resid   48 and  name HD2#)(resid   49 and  name HD# ) 3.0 3.1 2.2
assign (resid   48 and  name HB# )(resid   52 and  name HB# ) 4.0 4.2 3.0
assign (resid   48 and  name HG  )(resid   52 and  name HB# ) 4.0 3.2 2.0
assign (resid   48 and  name HD1#)(resid   52 and  name HB# ) 4.0 4.3 3.1
assign (resid   48 and  name HD2#)(resid   52 and  name HB# ) 4.0 4.3 3.1
assign (resid   48 and  name HD# )(resid   54 and  name HA  ) 4.0 5.1 3.9
assign (resid   48 and  name HD# )(resid   54 and  name HB  ) 4.0 5.1 3.9
assign (resid   48 and  name HD# )(resid   54 and  name HG2#) 3.0 4.4 3.5
!! PRO 49
assign (resid   49 and  name HA  )(resid   49 and  name HB# ) 2.5 1.7 1.2
assign (resid   49 and  name HA  )(resid   49 and  name HD# ) 4.0 3.2 2.0
assign (resid   49 and  name HB# )(resid   49 and  name HG# ) 4.0 4.2 3.0
assign (resid   49 and  name HB# )(resid   49 and  name HD# ) 4.0 4.2 3.0
assign (resid   49 and  name HG# )(resid   49 and  name HD# ) 4.0 4.2 3.0
assign (resid   49 and  name HA  )(resid   50 and  name HN  ) 3.0 1.2 0.3
assign (resid   49 and  name HB1 )(resid   50 and  name HN  ) 4.0 2.2 1.0
assign (resid   49 and  name HB2 )(resid   50 and  name HN  ) 4.0 2.2 1.0
assign (resid   49 and  name HG# )(resid   50 and  name HN  ) 4.0 3.2 2.0
assign (resid   49 and  name HA  )(resid   51 and  name HN  ) 4.0 2.2 1.0
assign (resid   49 and  name HB1 )(resid   51 and  name HN  ) 4.0 2.2 1.0
assign (resid   49 and  name HB2 )(resid   51 and  name HN  ) 4.0 2.2 1.0
assign (resid   49 and  name HB# )(resid   51 and  name HA  ) 4.0 3.2 2.0
assign (resid   49 and  name HB# )(resid   52 and  name HB1 ) 4.0 4.2 2.0
assign (resid   49 and  name HB# )(resid   52 and  name HB2 ) 4.0 4.2 2.0
!! ASP 50 g2t3, upfield=B1.
assign (resid   50 and  name HN  )(resid   50 and  name HA  ) 2.5 0.7 0.2
assign (resid   50 and  name HN  )(resid   50 and  name HB2 ) 2.5 0.7 0.2
assign (resid   50 and  name HN  )(resid   50 and  name HB1 ) 3.0 1.2 0.3
assign (resid   50 and  name HA  )(resid   50 and  name HB2 ) 3.0 1.2 0.3
assign (resid   50 and  name HA  )(resid   50 and  name HB1 ) 2.5 0.7 0.2
assign (resid   50 and  name HA  )(resid   51 and  name HN  ) 3.0 1.2 0.3
assign (resid   50 and  name HB2 )(resid   51 and  name HN  ) 2.5 0.7 0.2
assign (resid   50 and  name HB1 )(resid   51 and  name HN  ) 3.0 1.2 0.3 
assign (resid   50 and  name HN  )(resid   51 and  name HN  ) 3.0 1.2 0.3
assign (resid   50 and  name HA  )(resid   52 and  name HN  ) 3.5 1.2 0.3
!! ASN 51 g2g3 upfield = B1
assign (resid   51 and  name HN  )(resid   51 and  name HA  ) 2.5 0.7 0.2
assign (resid   51 and  name HN  )(resid   51 and  name HB1 ) 3.0 1.2 0.3
assign (resid   51 and  name HN  )(resid   51 and  name HB2 ) 3.0 1.2 0.3
assign (resid   51 and  name HA  )(resid   51 and  name HB1 ) 2.5 0.7 0.2
assign (resid   51 and  name HA  )(resid   51 and  name HB2 ) 2.5 0.7 0.2
assign (resid   51 and  name HD21)(resid   51 and  name HB1 ) 2.5 0.7 0.2
assign (resid   51 and  name HD21)(resid   51 and  name HB2 ) 2.5 0.7 0.2
assign (resid   51 and  name HN  )(resid   52 and  name HN  ) 2.5 0.7 0.2
assign (resid   51 and  name HA  )(resid   52 and  name HN  ) 3.0 1.2 0.3
assign (resid   51 and  name HB1 )(resid   52 and  name HN  ) 4.0 2.2 1.0
assign (resid   51 and  name HB2 )(resid   52 and  name HN  ) 4.0 2.2 1.0
!! SER 52
assign (resid   52 and  name HN  )(resid   52 and  name HB# ) 3.0 2.2 1.3
assign (resid   52 and  name HA  )(resid   52 and  name HB# ) 4.0 3.2 2.0
assign (resid   52 and  name HA  )(resid   53 and  name HG# ) 4.0 3.2 2.0
assign (resid   52 and  name HA  )(resid   53 and  name HD# ) 3.0 2.2 1.3
assign (resid   52 and  name HB# )(resid   54 and  name HG2#) 4.0 4.3 3.1
!! PRO 53
assign (resid   53 and  name HA  )(resid   53 and  name HB# ) 2.5 1.7 1.2
assign (resid   53 and  name HA  )(resid   53 and  name HD# ) 4.0 3.2 2.0
assign (resid   53 and  name HB# )(resid   53 and  name HG# ) 4.0 4.2 3.0
assign (resid   53 and  name HG# )(resid   53 and  name HD# ) 3.0 3.2 2.3
assign (resid   53 and  name HA  )(resid   54 and  name HN  ) 3.0 1.2 0.3
assign (resid   53 and  name HB# )(resid   54 and  name HN  ) 4.0 3.2 2.0
assign (resid   53 and  name HB# )(resid   54 and  name HG2#) 4.0 4.3 3.1
assign (resid   53 and  name HG# )(resid   54 and  name HG2#) 4.0 4.3 3.1
assign (resid   53 and  name HD# )(resid   54 and  name HG2#) 4.0 4.3 3.1
!! THR 54
assign (resid   54 and  name HN  )(resid   54 and  name HA  ) 3.0 1.2 0.3
assign (resid   54 and  name HN  )(resid   54 and  name HG2#) 2.5 1.4 0.9
assign (resid   54 and  name HA  )(resid   54 and  name HB  ) 2.5 0.7 0.2
assign (resid   54 and  name HA  )(resid   54 and  name HG2#) 3.0 2.1 1.2 
assign (resid   54 and  name HB  )(resid   54 and  name HG2#) 2.5 1.4 0.9
assign (resid   54 and  name HA  )(resid   55 and  name HN  ) 2.5 0.7 0.2
assign (resid   54 and  name HB  )(resid   55 and  name HN  ) 4.0 2.2 1.0
assign (resid   54 and  name HG2#)(resid   55 and  name HN  ) 4.0 3.3 2.1
!! LYS 55
assign (resid   55 and  name HN  )(resid   55 and  name HA  ) 2.5 0.7 0.2
assign (resid   55 and  name HN  )(resid   55 and  name HB# ) 4.0 2.8 1.6
assign (resid   55 and  name HA  )(resid   55 and  name HB# ) 4.0 2.8 1.6
assign (resid   55 and  name HA  )(resid   56 and  name HN  ) 3.0 1.2 0.3
assign (resid   55 and  name HN  )(resid   56 and  name HN  ) 4.0 2.2 1.0
assign (resid   55 and  name HD# )(resid   56 and  name HN  ) 4.0 3.2 2.0
assign (resid   55 and  name HD# )(resid   57 and  name HN  ) 4.0 3.2 2.0
!!assign (resid   55 and  name HA  )(resid   59 and  name HN  ) 4.0 2.2 1.0
!! THR 56
assign (resid   56 and  name HN  )(resid   56 and  name HG2#) 4.0 3.0 1.8
assign (resid   56 and  name HA  )(resid   56 and  name HB  ) 3.0 1.2 0.3
assign (resid   56 and  name HA  )(resid   56 and  name HG2#) 2.5 1.1 0.6
assign (resid   56 and  name HB  )(resid   56 and  name HG2#) 2.5 1.4 0.9
assign (resid   56 and  name HN  )(resid   57 and  name HN  ) 4.0 2.2 1.0
assign (resid   56 and  name HA  )(resid   57 and  name HN  ) 2.5 0.7 0.2
assign (resid   56 and  name HB  )(resid   57 and  name HN  ) 2.5 0.7 0.2
assign (resid   56 and  name HG2#)(resid   57 and  name HN  ) 2.5 0.9 0.7
assign (resid   56 and  name HB  )(resid   58 and  name HN  ) 4.0 2.2 1.0
assign (resid   56 and  name HG2#)(resid   58 and  name HN  ) 4.0 3.3 2.1
!! SER 57
assign (resid   57 and  name HN  )(resid   57 and  name HA  ) 2.5 0.7 0.2
assign (resid   57 and  name HA  )(resid   57 and  name HB1 ) 2.5 0.7 0.2
assign (resid   57 and  name HA  )(resid   57 and  name HB2 ) 2.5 0.7 0.2
assign (resid   57 and  name HA  )(resid   58 and  name HN  ) 2.5 0.7 0.2
assign (resid   57 and  name HB# )(resid   58 and  name HN  ) 4.0 3.2 2.0
assign (resid   57 and  name HN  )(resid   58 and  name HN  ) 4.0 2.2 1.0
!! GLY 58
assign (resid   58 and  name HN  )(resid   58 and  name HA# ) 3.0 2.2 1.3
!! LYS 59
assign (resid   59 and  name HN  )(resid   59 and  name HA  ) 3.0 1.2 0.3
assign (resid   59 and  name HN  )(resid   59 and  name HB# ) 4.0 2.8 1.6
assign (resid   59 and  name HN  )(resid   60 and  name HN  ) 4.0 2.2 1.0
!! CYS 60 g2t3 upfield = B1 
assign (resid   60 and  name HN  )(resid   60 and  name HA  ) 4.0 2.2 1.0
assign (resid   60 and  name HN  )(resid   60 and  name HB1 ) 4.0 2.2 1.0
assign (resid   60 and  name HN  )(resid   60 and  name HB2 ) 4.0 2.2 1.0
assign (resid   60 and  name HA  )(resid   60 and  name HB1 ) 3.0 1.2 0.5
assign (resid   60 and  name HA  )(resid   60 and  name HB2 ) 3.0 1.2 0.5
assign (resid   60 and  name HA  )(resid   61 and  name HN  ) 2.5 0.7 0.2
assign (resid   60 and  name HB1 )(resid   61 and  name HN  ) 4.0 2.2 1.0
assign (resid   60 and  name HB2 )(resid   61 and  name HN  ) 4.0 2.2 1.0
assign (resid   60 and  name HN  )(resid   61 and  name HN  ) 4.0 2.2 1.0
!! ASN 61
assign (resid   61 and  name HN  )(resid   61 and  name HA  ) 3.0 1.2 0.3
assign (resid   61 and  name HN  )(resid   61 and  name HB1 ) 3.0 1.2 0.3
assign (resid   61 and  name HN  )(resid   61 and  name HB2 ) 3.0 1.2 0.3
assign (resid   61 and  name HA  )(resid   61 and  name HB1 ) 3.0 1.2 0.3
assign (resid   61 and  name HD21)(resid   61 and  name HB1 ) 3.0 1.2 0.3
assign (resid   61 and  name HD21)(resid   61 and  name HB2 ) 3.0 1.2 0.3
assign (resid   61 and  name HA  )(resid   61 and  name HB2 ) 3.0 1.2 0.3
assign (resid   61 and  name HA  )(resid   62 and  name HD1 ) 2.5 0.7 0.2
assign (resid   61 and  name HA  )(resid   62 and  name HD2 ) 2.5 0.7 0.2
assign (resid   61 and  name HA  )(resid   62 and  name HG# ) 4.0 3.2 2.0
!! PRO 62
assign (resid   62 and  name HA  )(resid   62 and  name HB# ) 2.5 1.3 0.8
assign (resid   62 and  name HG# )(resid   62 and  name HD# ) 3.0 3.2 2.3
assign (resid   62 and  name HA  )(resid   63 and  name HN  ) 3.0 2.2 0.3
!! ALA 63
assign (resid   63 and  name HN  )(resid   63 and  name HA  ) 4.0 2.2 1.0
assign (resid   63 and  name HN  )(resid   63 and  name HB# ) 3.0 2.6 1.4
!! H-bonds
!! beta sheet
assign (resid    2 and  name HN  )(resid   48 and  name O   ) 2.1 0.6 0.2
assign (resid    2 and  name  N  )(resid   48 and  name O   ) 3.1 0.6 0.2
assign (resid   48 and  name HN  )(resid    2 and  name O   ) 2.1 0.6 0.2
assign (resid   48 and  name  N  )(resid    2 and  name O   ) 3.1 0.6 0.2
assign (resid    4 and  name HN  )(resid   45 and  name O   ) 2.1 0.6 0.2
assign (resid    4 and  name  N  )(resid   45 and  name O   ) 3.1 0.6 0.2
assign (resid   45 and  name HN  )(resid    4 and  name O   ) 2.1 0.6 0.2
assign (resid   45 and  name  N  )(resid    4 and  name O   ) 3.1 0.6 0.2 
assign (resid   33 and  name HN  )(resid   46 and  name O   ) 2.1 0.6 0.2
assign (resid   33 and  name  N  )(resid   46 and  name O   ) 3.1 0.6 0.2
assign (resid   46 and  name HN  )(resid   33 and  name O   ) 2.1 0.6 0.2
assign (resid   46 and  name  N  )(resid   33 and  name O   ) 3.1 0.6 0.2
assign (resid   35 and  name HN  )(resid   44 and  name O   ) 2.1 0.6 0.2
assign (resid   35 and  name  N  )(resid   44 and  name O   ) 3.1 0.6 0.2
assign (resid   44 and  name HN  )(resid   35 and  name O   ) 2.1 0.6 0.2
assign (resid   44 and  name  N  )(resid   35 and  name O   ) 3.1 0.6 0.2
assign (resid   32 and  name HN  )(resid   46 and  name O   ) 2.1 0.6 0.2
assign (resid   32 and  name  N  )(resid   46 and  name O   ) 3.1 0.6 0.2
assign (resid   42 and  name HN  )(resid   37 and  name O   ) 2.1 0.6 0.2
assign (resid   42 and  name  N  )(resid   37 and  name O   ) 3.1 0.6 0.2
assign (resid   37 and  name HN  )(resid   42 and  name O   ) 2.1 0.6 0.2
assign (resid   37 and  name  N  )(resid   42 and  name O   ) 3.1 0.6 0.2
!! alpha helix and Type I turn
assign (resid   23 and  name HN  )(resid   19 and  name O   ) 2.1 0.6 0.2
assign (resid   23 and  name  N  )(resid   19 and  name O   ) 3.1 0.6 0.2
assign (resid   24 and  name HN  )(resid   20 and  name O   ) 2.1 0.6 0.2
assign (resid   24 and  name  N  )(resid   20 and  name O   ) 3.1 0.6 0.2
assign (resid   25 and  name HN  )(resid   21 and  name O   ) 2.1 0.6 0.2
assign (resid   25 and  name  N  )(resid   21 and  name O   ) 3.1 0.6 0.2
assign (resid   26 and  name HN  )(resid   22 and  name O   ) 2.1 0.6 0.2
assign (resid   26 and  name  N  )(resid   22 and  name O   ) 3.1 0.6 0.2
assign (resid   27 and  name HN  )(resid   23 and  name O   ) 2.1 0.6 0.2
assign (resid   27 and  name  N  )(resid   23 and  name O   ) 3.1 0.6 0.2
assign (resid   28 and  name HN  )(resid   24 and  name O   ) 2.1 0.6 0.2
assign (resid   28 and  name  N  )(resid   24 and  name O   ) 3.1 0.6 0.2
assign (resid   29 and  name HN  )(resid   25 and  name O   ) 2.1 0.6 0.2
assign (resid   29 and  name  N  )(resid   25 and  name O   ) 3.1 0.6 0.2
assign (resid   30 and  name HN  )(resid   27 and  name O   ) 2.1 0.6 0.2
assign (resid   30 and  name  N  )(resid   27 and  name O   ) 3.1 0.6 0.2
assign (resid   31 and  name HN  )(resid   26 and  name O   ) 2.1 0.6 0.2
assign (resid   31 and  name  N  )(resid   26 and  name O   ) 3.1 0.6 0.2
!! this h-bond defines a turn.
assign (resid   52 and  name HN  )(resid   49 and  name O   ) 2.1 0.6 0.2
assign (resid   52 and  name  N  )(resid   49 and  name O   ) 3.1 0.6 0.2
!! this h-bond defines the turn connecting the beta strands
assign (resid   41 and  name HN  )(resid   38 and  name O   ) 2.1 0.6 0.2
assign (resid   41 and  name  N  )(resid   38 and  name O   ) 3.1 0.6 0.2
!! add these to define the sheet/turn region
!! major turn type I
assign (resid   10 and  name HN  )(resid    8 and  name OD1 ) 2.1 0.6 0.2
assign (resid   10 and  name  N  )(resid    8 and  name OD1 ) 3.1 0.6 0.2
assign (resid   12 and  name HN  )(resid    8 and  name OD1 ) 2.1 0.6 0.2
assign (resid   12 and  name  N  )(resid    8 and  name OD1 ) 3.1 0.6 0.2
assign (resid   11 and  name HN  )(resid    8 and  name O   ) 2.1 0.6 0.2
assign (resid   11 and  name  N  )(resid    8 and  name O   ) 3.1 0.6 0.2
assign (resid    8 and  name HN  )(resid   12 and  name O   ) 2.1 0.6 0.2
assign (resid    8 and  name  N  )(resid   12 and  name O   ) 3.1 0.6 0.2
!!long-range H-bonds
assign (resid    7 and  name HN  )(resid   53 and  name O   ) 2.1 0.6 0.2
assign (resid    7 and  name  N  )(resid   53 and  name O   ) 3.1 0.6 0.2
assign (resid   14 and  name HN  )(resid    6 and  name O   ) 2.1 0.6 0.2
assign (resid   14 and  name  N  )(resid    6 and  name O   ) 3.1 0.6 0.2
assign (resid   55 and  name HN  )(resid    5 and  name O   ) 2.1 0.6 0.2
assign (resid   55 and  name  N  )(resid    5 and  name O   ) 3.1 0.6 0.2
assign (resid   43 and  name HN  )(resid   14 and  name O   ) 2.1 0.6 0.2
assign (resid   43 and  name  N  )(resid   14 and  name O   ) 3.1 0.6 0.2
assign (resid   55 and  name HZ1 )(resid   11 and  name O   ) 2.1 0.6 0.2
assign (resid   55 and  name NZ  )(resid   11 and  name O   ) 3.1 0.6 0.2
assign (resid    2 and  name HZ1 )(resid   49 and  name O   ) 2.1 0.6 0.2
assign (resid    2 and  name NZ  )(resid   49 and  name O   ) 3.1 0.6 0.2
assign (resid    1 and  name HT1 )(resid   50 and  name O   ) 2.1 0.6 0.2
assign (resid    1 and  name N   )(resid   50 and  name O   ) 3.1 0.6 0.2
!! CsE-V dihedral angle constraints
!! LYS 2 
 assign (resid   1 and name c )   (resid   2 and name n )  
        (resid   2 and name ca)   (resid   2 and name c )  1.0 -120. 50.0 2
!! ASP 3
 assign (resid   2 and name c )   (resid   3 and name n ) 
        (resid   3 and name ca)   (resid   3 and name c )  1.0 -120. 50.0 2 
!! TYR 5  
 assign (resid   4 and name c )   (resid   5 and name n ) 
        (resid   5 and name ca)   (resid   5 and name c )  1.0 -120. 50.0 2 
!! VAL 7 
 assign (resid   6 and name c )   (resid   7 and name n ) 
        (resid   7 and name ca)   (resid   7 and name c )  1.0 -120. 50.0 2 
!! ASP 8 
 assign (resid   7 and name c )   (resid   8 and name n ) 
        (resid   8 and name ca)   (resid   8 and name c )  1.0 -65.0 25.0 2 
!! SER 9 
assign (resid   8 and name c )   (resid   9 and name n )
       (resid   9 and name ca)   (resid   9 and name c )  1.0 -65.0 25.0 2
!! ASN 11
 assign (resid  10 and name c )   (resid  11 and name n )
        (resid  11 and name ca)   (resid  11 and name c )  1.0  70.0 25.0 2
!! CYS 12
 assign (resid  11 and name c )   (resid  12 and name n )
        (resid  12 and name ca)   (resid  12 and name c )  1.0 -120. 50.0 2
!! LYS 13
 assign (resid  12 and name c )   (resid  13 and name n )
        (resid  13 and name ca)   (resid  13 and name c )  1.0 -65.0 25.0 2
!! TYR 14
 assign (resid  13 and name c )   (resid  14 and name n )
        (resid  14 and name ca)   (resid  14 and name c )  1.0 -65.0 25.0 2
!! GLU 15 
 assign (resid  14 and name c )   (resid  15 and name n )
        (resid  15 and name ca)   (resid  15 and name c )  1.0 -65.0 25.0 2
!! CYS 16
 assign (resid  15 and name c )   (resid  16 and name n )
        (resid  16 and name ca)   (resid  16 and name c )  1.0 -120. 50.0 2
!! LEU 17 
 assign (resid  16 and name c )   (resid  17 and name n )
        (resid  17 and name ca)   (resid  17 and name c )  1.0 -120. 50.0 2
!! LYS 18
 assign (resid  17 and name c )   (resid  18 and name n )
        (resid  18 and name ca)   (resid  18 and name c )  1.0 -120. 50.0 2
!! ASP 19 
 assign (resid  18 and name c )   (resid  19 and name n )
        (resid  19 and name ca)   (resid  19 and name c )  1.0 -65.0 25.0 2
!! ASP 20 
 assign (resid  19 and name c )   (resid  20 and name n )
        (resid  20 and name ca)   (resid  20 and name c )  1.0 -65.0 25.0 2
!! TYR 21
 assign (resid  20 and name c )   (resid  21 and name n )
        (resid  21 and name ca)   (resid  21 and name c )  1.0 -65.0 25.0 2
!! CYS 22 
 assign (resid  21 and name c )   (resid  22 and name n )
        (resid  22 and name ca)   (resid  22 and name c )  1.0 -65.0 25.0 2
!! ASN 23 
 assign (resid  22 and name c )   (resid  23 and name n )
        (resid  23 and name ca)   (resid  23 and name c )  1.0 -65.0 25.0 2
!! ASP 24 
 assign (resid  23 and name c )   (resid  24 and name n )
        (resid  24 and name ca)   (resid  24 and name c )  1.0 -65.0 25.0 2
!! LEU 25
 assign (resid  24 and name c )   (resid  25 and name n )
        (resid  25 and name ca)   (resid  25 and name c )  1.0 -65.0 25.0 2
!! CYS 26 
 assign (resid  25 and name c )   (resid  26 and name n )
        (resid  26 and name ca)   (resid  26 and name c )  1.0 -65.0 25.0 2
!! LEU 27
 assign (resid  26 and name c )   (resid  27 and name n )
        (resid  27 and name ca)   (resid  27 and name c )  1.0 -65.0 25.0 2
!! GLU 28
 assign (resid  27 and name c )   (resid  28 and name n )
        (resid  28 and name ca)   (resid  28 and name c )  1.0 -65.0 25.0 2
!! ARG 29
 assign (resid  28 and name c )   (resid  29 and name n )
        (resid  29 and name ca)   (resid  29 and name c )  1.0 -65.0 25.0 2
!! LYS 30
 assign (resid  29 and name c )   (resid  30 and name n )
        (resid  30 and name ca)   (resid  30 and name c )  1.0 -120. 50.0 2
!! ALA 31
 assign (resid  30 and name c )   (resid  31 and name n )
        (resid  31 and name ca)   (resid  31 and name c )  1.0 -120. 50.0 2
!! ASP 32
 assign (resid  31 and name c )   (resid  32 and name n )
        (resid  32 and name ca)   (resid  32 and name c )  1.0 -65.0 25.0 2
!! LYS 33
 assign (resid  32 and name c )   (resid  33 and name n )
        (resid  33 and name ca)   (resid  33 and name c )  1.0 -65.0 25.0 2
!! TYR 35
 assign (resid  34 and name c )   (resid  35 and name n )
        (resid  35 and name ca)   (resid  35 and name c )  1.0 -120. 50.0 2
!! CYS 36
 assign (resid  35 and name c )   (resid  36 and name n )
        (resid  36 and name ca)   (resid  36 and name c )  1.0 -120. 50.0 2
!! TRP 38
 assign (resid  37 and name c )   (resid  38 and name n )
        (resid  38 and name ca)   (resid  38 and name c )  1.0 -65.0 25.0 2
!! SER 42
 assign (resid  41 and name c )   (resid  42 and name n )
        (resid  42 and name ca)   (resid  42 and name c )  1.0 -120. 50.0 2
!! CYS 43
 assign (resid  42 and name c )   (resid  43 and name n )
        (resid  43 and name ca)   (resid  43 and name c )  1.0 -120. 50.0 2
!! TYR 44
 assign (resid  43 and name c )   (resid  44 and name n )
        (resid  44 and name ca)   (resid  44 and name c )  1.0 -120. 50.0 2
!! CYS 45
 assign (resid  44 and name c )   (resid  45 and name n )
        (resid  45 and name ca)   (resid  45 and name c )  1.0 -120. 50.0 2
!! TYR 46
 assign (resid  45 and name c )   (resid  46 and name n )
        (resid  46 and name ca)   (resid  46 and name c )  1.0 -120. 50.0 2
!! LEU 48 
 assign (resid  47 and name c )   (resid  48 and name n )
        (resid  48 and name ca)   (resid  48 and name c )  1.0 -65.0 25.0 2
!! ASP 50 
 assign (resid  49 and name c )   (resid  50 and name n )
        (resid  50 and name ca)   (resid  50 and name c )  1.0 -65.0 25.0 2
!! ASN 51
 assign (resid  50 and name c )   (resid  51 and name n )
        (resid  51 and name ca)   (resid  51 and name c )  1.0 -120. 50.0 2
!! THR 54
 assign (resid  53 and name c )   (resid  54 and name n )
        (resid  54 and name ca)   (resid  54 and name c )  1.0 -120. 50.0 2
!! LYS 55
 assign (resid  54 and name c )   (resid  55 and name n )
        (resid  55 and name ca)   (resid  55 and name c )  1.0 -65.0 25.0 2
!! LYS 59
 assign (resid  58 and name c )   (resid  59 and name n )
        (resid  59 and name ca)   (resid  59 and name c )  1.0 -120. 50.0 2
!! ASN 61
 assign (resid  60 and name c )   (resid  61 and name n )
        (resid  61 and name ca)   (resid  61 and name c )  1.0 -120. 50.0 2
!! Chi angle constraints 
!! ASP 3    t2g3 
 assign (resid   3 and name n )   (resid   3 and name ca)
        (resid   3 and name cb)   (resid   3 and name cg)  1.0  -60. 60.0 2
!! VAL 7 trans G1 is upfield.  
 assign (resid   7 and name n )   (resid   7 and name ca)
        (resid   7 and name cb)   (resid   7 and name cg1) 1.0  -60. 60.0 2
!! ASP 8 g2g3  +60
 assign (resid   8 and name n )   (resid   8 and name ca)
        (resid   8 and name cb)   (resid   8 and name cg)  1.0  +60. 60.0 2
!! SER 9 g2g3 +60
 assign (resid   9 and name n )   (resid   9 and name ca)
        (resid   9 and name cb)   (resid   9 and name og)  1.0  +60. 60.0 2
!! ASN 11 
 assign (resid  11 and name n )   (resid  11 and name ca)
        (resid  11 and name cb)   (resid  11 and name cg)  1.0  180. 60.0 2
!! CYS 12 
 assign (resid  12 and name n )   (resid  12 and name ca)
        (resid  12 and name cb)   (resid  12 and name sg)  1.0  -60. 60.0 2
!! TYR 14 t2g3 
 assign (resid  14 and name n )   (resid  14 and name ca)
        (resid  14 and name cb)   (resid  14 and name cg)  1.0  -60. 60.0 2
!! CYS 16 
 assign (resid  16 and name n )   (resid  16 and name ca)
        (resid  16 and name cb)   (resid  16 and name sg)  1.0  +60. 60.0 2
!! ASP 19 g2t3 
 assign (resid  19 and name n )   (resid  19 and name ca)
        (resid  19 and name cb)   (resid  19 and name cg)  1.0  180. 60.0 2
!! ASP 20 g2g3  
 assign (resid  20 and name n )   (resid  20 and name ca)
        (resid  20 and name cb)   (resid  20 and name cg)  1.0  +60. 60.0 2
!! TYR 21 g2t3 
 assign (resid  21 and name n )   (resid  21 and name ca)
        (resid  21 and name cb)   (resid  21 and name cg)  1.0  180. 60.0 2
!! CYS 22 t2g3
 assign (resid  22 and name n )   (resid  22 and name ca)
        (resid  22 and name cb)   (resid  22 and name sg)  1.0  -60. 60.0 2
!! ASN 23 g2t3 180
 assign (resid  23 and name n )   (resid  23 and name ca)
        (resid  23 and name cb)   (resid  23 and name cg)  1.0  180. 60.0 2
!! ASP 24 g2t3 180
 assign (resid  24 and name n )   (resid  24 and name ca)
        (resid  24 and name cb)   (resid  24 and name cg)  1.0  180. 60.0 2
!! CYS 26 g2t3 180 
 assign (resid  26 and name n )   (resid  26 and name ca)
        (resid  26 and name cb)   (resid  26 and name sg)  1.0  -60. 60.0 2
!! ASP 32 g2t3 180
 assign (resid  32 and name n )   (resid  32 and name ca)
        (resid  32 and name cb)   (resid  32 and name cg)  1.0  180. 60.0 2
!! TYR 35 g2g3 +60
 assign (resid  35 and name n )   (resid  35 and name ca)
        (resid  35 and name cb)   (resid  35 and name cg)  1.0  +60. 60.0 2
!! CYS 36 g2t3 180
 assign (resid  36 and name n )   (resid  36 and name ca)
        (resid  36 and name cb)   (resid  36 and name sg)  1.0  180. 60.0 2
!! TYR 37 
 assign (resid  37 and name n )   (resid  37 and name ca)
        (resid  37 and name cb)   (resid  37 and name cg)  1.0  180. 60.0 2
!! TRP 38 
 assign (resid  38 and name n )   (resid  38 and name ca)
        (resid  38 and name cb)   (resid  38 and name cg)  1.0  -60. 60.0 2
!! SER 42 
 assign (resid  42 and name n )   (resid  42 and name ca)
        (resid  42 and name cb)   (resid  42 and name og)  1.0  -60. 60.0 2
!! CYS 43 
 assign (resid  43 and name n )   (resid  43 and name ca)
        (resid  43 and name cb)   (resid  43 and name sg)  1.0  -60. 60.0 2
!! TYR 44 
 assign (resid  44 and name n )   (resid  44 and name ca)
        (resid  44 and name cb)   (resid  44 and name cg)  1.0  180. 60.0 2
!! CYS 45 
 assign (resid  45 and name n )   (resid  45 and name ca)
        (resid  45 and name cb)   (resid  45 and name sg)  1.0  -60. 60.0 2
!! TYR 46 t2g3 12sep94 
 assign (resid  46 and name n )   (resid  46 and name ca)
        (resid  46 and name cb)   (resid  46 and name cg)  1.0  -60. 60.0 2
!! ASP 50
 assign (resid  50 and name n )   (resid  50 and name ca)
        (resid  50 and name cb)   (resid  50 and name cg)  1.0  -60. 60.0 2
!! ASN 51 g2g3 +60
 assign (resid  51 and name n )   (resid  51 and name ca)
        (resid  51 and name cb)   (resid  51 and name cg)  1.0  +60. 60.0 2
!! SER 52 g2t3 180
 assign (resid  52 and name n )   (resid  52 and name ca)
        (resid  52 and name cb)   (resid  52 and name og)  1.0  180. 60.0 2
!! SER 57 g2g3
 assign (resid  57 and name n )   (resid  57 and name ca)
        (resid  57 and name cb)   (resid  57 and name og)  1.0  +60. 60.0 2
!! CYS 60 g2t3
 assign (resid  60 and name n )   (resid  60 and name ca)
        (resid  60 and name cb)   (resid  60 and name sg)  1.0  180. 60.0 2
!! ASN 61 
 assign (resid  61 and name n )   (resid  61 and name ca)
        (resid  61 and name cb)   (resid  61 and name sg)  1.0  180. 60.0 2



  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  463 H/Q atoms
  Start of MODEL    1
    1   1H    LYS   1           HT1      LYS   1   3.063  14.249   3.721
    2   2H    LYS   1           HT3      LYS   1   4.698  14.634   3.492
    3   3H    LYS   1           HT2      LYS   1   3.630  14.652   2.172
    4    HA   LYS   1           HA       LYS   1   3.580  12.399   1.960
    5   1HB   LYS   1           HB2      LYS   1   6.234  12.759   3.388
    6   2HB   LYS   1           HB1      LYS   1   5.848  11.587   2.127
    7   1HG   LYS   1           HG2      LYS   1   5.598  13.338   0.480
    8   2HG   LYS   1           HG1      LYS   1   5.743  14.587   1.717
    9   1HD   LYS   1           HD2      LYS   1   7.937  14.608   1.122
   10   2HD   LYS   1           HD1      LYS   1   8.045  13.162   2.127
   11   1HE   LYS   1           HE2      LYS   1   7.357  11.871  -0.012
   12   2HE   LYS   1           HE1      LYS   1   7.785  13.349  -0.872
   13   1HZ   LYS   1           HZ3      LYS   1   9.960  13.213   0.394
   14   2HZ   LYS   1           HZ2      LYS   1   9.525  11.615   0.776
   15   3HZ   LYS   1           HZ1      LYS   1   9.727  12.080  -0.847
   16    H    LYS   2           HN       LYS   2   3.805  10.216   3.012
   17    HA   LYS   2           HA       LYS   2   4.028   9.998   5.881
   18   1HB   LYS   2           HB2      LYS   2   1.608   9.369   6.263
   19   2HB   LYS   2           HB1      LYS   2   1.875  11.082   5.935
   20   1HG   LYS   2           HG2      LYS   2   0.036  10.463   4.557
   21   2HG   LYS   2           HG1      LYS   2   1.428  10.521   3.473
   22   1HD   LYS   2           HD2      LYS   2   1.290   8.309   3.030
   23   2HD   LYS   2           HD1      LYS   2   1.135   7.908   4.741
   24   1HE   LYS   2           HE2      LYS   2  -0.928   7.224   3.851
   25   2HE   LYS   2           HE1      LYS   2  -1.289   8.821   4.505
   26   1HZ   LYS   2           HZ2      LYS   2  -0.556   8.275   1.681
   27   2HZ   LYS   2           HZ1      LYS   2  -2.144   8.499   2.241
   28   3HZ   LYS   2           HZ3      LYS   2  -1.026   9.772   2.333
   29    H    ASP   3           HN       ASP   3   3.514   7.758   6.614
   30    HA   ASP   3           HA       ASP   3   4.039   5.799   4.433
   31   1HB   ASP   3           HB2      ASP   3   3.946   5.034   7.314
   32   2HB   ASP   3           HB1      ASP   3   5.065   4.508   6.054
   33    H    GLY   4           HN       GLY   4   2.769   3.631   4.743
   34   1HA   GLY   4           HA2      GLY   4   0.586   3.092   6.256
   35   2HA   GLY   4           HA1      GLY   4  -0.070   4.327   5.188
   36    OH   TYR   5           OH       TYR   5   0.228  -2.612   8.246
   37    H    TYR   5           HN       TYR   5  -1.479   2.307   4.759
   38    HA   TYR   5           HA       TYR   5  -0.229   0.448   2.803
   39   1HB   TYR   5           HB2      TYR   5  -3.001   0.452   4.033
   40   2HB   TYR   5           HB1      TYR   5  -2.345  -0.805   2.989
   41    HD1  TYR   5           HD2      TYR   5  -0.414  -2.184   3.763
   42    HD2  TYR   5           HD1      TYR   5  -2.409   0.585   6.357
   43    HE1  TYR   5           HE2      TYR   5   0.600  -3.306   5.722
   44    HE2  TYR   5           HE1      TYR   5  -1.399  -0.534   8.322
   45    HH   TYR   5           HH       TYR   5   1.060  -3.002   7.970
   46    HA   PRO   6           HA       PRO   6  -1.952   3.367  -0.197
   47   1HB   PRO   6           HB2      PRO   6  -0.746   1.828  -2.283
   48   2HB   PRO   6           HB1      PRO   6  -0.192   3.375  -1.628
   49   1HG   PRO   6           HG2      PRO   6   1.004   0.770  -1.267
   50   2HG   PRO   6           HG1      PRO   6   1.570   2.325  -0.644
   51   1HD   PRO   6           HD2      PRO   6   0.328   0.176   0.831
   52   2HD   PRO   6           HD1      PRO   6   0.909   1.734   1.450
   53    H    VAL   7           HN       VAL   7  -4.141   2.848  -0.312
   54    HA   VAL   7           HA       VAL   7  -4.924   0.228  -1.483
   55    HB   VAL   7           HB       VAL   7  -7.131   0.677  -0.644
   56   1HG1  VAL   7          HG12      VAL   7  -5.431  -0.106   0.990
   57   2HG1  VAL   7          HG11      VAL   7  -5.085   1.572   1.406
   58   3HG1  VAL   7          HG13      VAL   7  -6.672   0.886   1.753
   59   1HG2  VAL   7          HG23      VAL   7  -7.155   3.099  -1.226
   60   2HG2  VAL   7          HG22      VAL   7  -7.703   2.811   0.425
   61   3HG2  VAL   7          HG21      VAL   7  -6.073   3.416   0.130
   62    H    ASP   8           HN       ASP   8  -5.968   0.105  -3.461
   63    HA   ASP   8           HA       ASP   8  -5.550   2.193  -5.337
   64   1HB   ASP   8           HB2      ASP   8  -6.401   0.740  -6.894
   65   2HB   ASP   8           HB1      ASP   8  -6.138  -0.410  -5.589
   66    H    SER   9           HN       SER   9  -8.058   2.399  -6.688
   67    HA   SER   9           HA       SER   9  -9.162   4.661  -5.309
   68   1HB   SER   9           HB2      SER   9 -10.910   4.569  -7.101
   69   2HB   SER   9           HB1      SER   9  -9.265   4.518  -7.731
   70    HG   SER   9           HG       SER   9 -11.172   2.455  -7.492
   71    H    GLY  10           HN       GLY  10 -10.178   1.272  -5.535
   72   1HA   GLY  10           HA2      GLY  10 -12.619   1.864  -3.983
   73   2HA   GLY  10           HA1      GLY  10 -12.188   0.301  -4.671
   74    H    ASN  11           HN       ASN  11  -9.604   1.810  -2.952
   75    HA   ASN  11           HA       ASN  11  -8.755   1.433  -0.787
   76   1HB   ASN  11           HB2      ASN  11 -11.525   1.253  -0.409
   77   2HB   ASN  11           HB1      ASN  11 -10.888  -0.247   0.264
   78   1HD2  ASN  11          HD22      ASN  11 -10.459   3.108   2.374
   79   2HD2  ASN  11          HD21      ASN  11 -11.536   2.932   1.073
   80    H    CYS  12           HN       CYS  12  -8.019  -0.154  -2.879
   81    HA   CYS  12           HA       CYS  12  -8.184  -2.944  -1.892
   82   1HB   CYS  12           HB2      CYS  12  -7.419  -1.753  -4.565
   83   2HB   CYS  12           HB1      CYS  12  -7.271  -3.464  -4.184
   84    H    LYS  13           HN       LYS  13  -6.639  -2.589  -0.204
   85    HA   LYS  13           HA       LYS  13  -4.108  -1.463  -0.314
   86   1HB   LYS  13           HB2      LYS  13  -3.500  -3.565   1.201
   87   2HB   LYS  13           HB1      LYS  13  -4.604  -2.318   1.783
   88   1HG   LYS  13           HG2      LYS  13  -6.412  -3.699   1.693
   89   2HG   LYS  13           HG1      LYS  13  -5.887  -4.442   0.184
   90   1HD   LYS  13           HD2      LYS  13  -4.281  -5.836   1.378
   91   2HD   LYS  13           HD1      LYS  13  -4.679  -5.034   2.899
   92   1HE   LYS  13           HE2      LYS  13  -6.471  -6.359   3.210
   93   2HE   LYS  13           HE1      LYS  13  -7.082  -5.990   1.596
   94   1HZ   LYS  13           HZ1      LYS  13  -4.830  -7.672   1.394
   95   2HZ   LYS  13           HZ3      LYS  13  -5.937  -8.362   2.479
   96   3HZ   LYS  13           HZ2      LYS  13  -6.428  -7.969   0.900
   97    OH   TYR  14           OH       TYR  14  -3.240   1.983  -5.666
   98    H    TYR  14           HN       TYR  14  -2.502  -1.760  -1.816
   99    HA   TYR  14           HA       TYR  14  -2.410  -3.940  -3.642
  100   1HB   TYR  14           HB2      TYR  14  -0.003  -2.336  -2.731
  101   2HB   TYR  14           HB1      TYR  14  -0.224  -3.165  -4.270
  102    HD1  TYR  14           HD1      TYR  14  -2.904  -2.522  -5.086
  103    HD2  TYR  14           HD2      TYR  14  -0.002  -0.015  -3.158
  104    HE1  TYR  14           HE1      TYR  14  -4.008  -0.523  -6.039
  105    HE2  TYR  14           HE2      TYR  14  -1.102   1.989  -4.113
  106    HH   TYR  14           HH       TYR  14  -3.548   1.763  -6.548
  107    H    GLU  15           HN       GLU  15  -2.525  -5.910  -2.662
  108    HA   GLU  15           HA       GLU  15  -1.055  -6.702  -0.333
  109   1HB   GLU  15           HB2      GLU  15  -1.725  -8.964  -0.954
  110   2HB   GLU  15           HB1      GLU  15  -3.076  -7.854  -1.183
  111   1HG   GLU  15           HG2      GLU  15  -3.141  -8.252  -3.403
  112   2HG   GLU  15           HG1      GLU  15  -1.399  -8.018  -3.556
  113    H    CYS  16           HN       CYS  16   0.539  -8.675  -0.512
  114    HA   CYS  16           HA       CYS  16   2.256  -8.513  -2.906
  115   1HB   CYS  16           HB2      CYS  16   3.765  -7.131  -2.030
  116   2HB   CYS  16           HB1      CYS  16   2.803  -7.007  -0.563
  117    H    LEU  17           HN       LEU  17   4.141 -10.020  -2.702
  118    HA   LEU  17           HA       LEU  17   3.462 -12.406  -1.039
  119   1HB   LEU  17           HB2      LEU  17   4.526 -13.733  -2.946
  120   2HB   LEU  17           HB1      LEU  17   2.957 -13.011  -3.305
  121    HG   LEU  17           HG       LEU  17   5.119 -11.149  -3.856
  122   1HD1  LEU  17          HD12      LEU  17   5.795 -13.804  -4.410
  123   2HD1  LEU  17          HD11      LEU  17   5.218 -13.166  -5.952
  124   3HD1  LEU  17          HD13      LEU  17   6.544 -12.367  -5.107
  125   1HD2  LEU  17          HD23      LEU  17   2.973 -12.453  -5.563
  126   2HD2  LEU  17          HD22      LEU  17   2.824 -10.921  -4.701
  127   3HD2  LEU  17          HD21      LEU  17   3.952 -11.067  -6.050
  128    H    LYS  18           HN       LYS  18   5.809 -10.090  -2.066
  129    HA   LYS  18           HA       LYS  18   7.814 -11.331  -0.278
  130   1HB   LYS  18           HB2      LYS  18   8.253 -10.671  -3.200
  131   2HB   LYS  18           HB1      LYS  18   9.586 -10.816  -2.054
  132   1HG   LYS  18           HG2      LYS  18   7.564 -13.019  -2.148
  133   2HG   LYS  18           HG1      LYS  18   8.750 -12.920  -3.450
  134   1HD   LYS  18           HD2      LYS  18  10.259 -13.898  -2.101
  135   2HD   LYS  18           HD1      LYS  18  10.169 -12.494  -1.036
  136   1HE   LYS  18           HE2      LYS  18   7.966 -13.669  -0.177
  137   2HE   LYS  18           HE1      LYS  18   8.729 -15.116  -0.836
  138   1HZ   LYS  18           HZ2      LYS  18  10.774 -14.125   0.475
  139   2HZ   LYS  18           HZ1      LYS  18   9.535 -13.448   1.420
  140   3HZ   LYS  18           HZ3      LYS  18   9.629 -15.130   1.228
  141    H    ASP  19           HN       ASP  19   9.280  -9.766   0.585
  142    HA   ASP  19           HA       ASP  19   8.284  -7.151   1.018
  143   1HB   ASP  19           HB2      ASP  19   9.922  -8.050   2.525
  144   2HB   ASP  19           HB1      ASP  19  11.086  -8.269   1.222
  145    H    ASP  20           HN       ASP  20  10.487  -8.345  -1.503
  146    HA   ASP  20           HA       ASP  20  11.356  -5.816  -2.476
  147   1HB   ASP  20           HB2      ASP  20  11.824  -7.109  -4.551
  148   2HB   ASP  20           HB1      ASP  20  12.439  -7.905  -3.113
  149    OH   TYR  21           OH       TYR  21   1.409  -5.411  -6.600
  150    H    TYR  21           HN       TYR  21   8.502  -7.797  -3.309
  151    HA   TYR  21           HA       TYR  21   7.642  -6.182  -5.502
  152   1HB   TYR  21           HB2      TYR  21   6.616  -8.335  -5.180
  153   2HB   TYR  21           HB1      TYR  21   6.103  -7.907  -3.547
  154    HD1  TYR  21           HD1      TYR  21   5.956  -5.499  -6.335
  155    HD2  TYR  21           HD2      TYR  21   3.737  -8.311  -3.969
  156    HE1  TYR  21           HE1      TYR  21   3.837  -4.581  -7.231
  157    HE2  TYR  21           HE2      TYR  21   1.616  -7.391  -4.862
  158    HH   TYR  21           HH       TYR  21   1.256  -5.799  -7.464
  159    H    CYS  22           HN       CYS  22   7.094  -5.932  -2.013
  160    HA   CYS  22           HA       CYS  22   5.196  -3.769  -2.192
  161   1HB   CYS  22           HB2      CYS  22   6.958  -4.830   0.009
  162   2HB   CYS  22           HB1      CYS  22   5.967  -3.394   0.239
  163    H    ASN  23           HN       ASN  23   8.698  -3.901  -1.724
  164    HA   ASN  23           HA       ASN  23   9.149  -1.127  -1.273
  165   1HB   ASN  23           HB2      ASN  23  10.825  -3.012  -1.056
  166   2HB   ASN  23           HB1      ASN  23  10.954  -3.036  -2.803
  167   1HD2  ASN  23          HD22      ASN  23  13.135  -0.372  -0.796
  168   2HD2  ASN  23          HD21      ASN  23  12.417  -1.740  -0.095
  169    H    ASP  24           HN       ASP  24   9.355  -2.996  -4.271
  170    HA   ASP  24           HA       ASP  24   9.797  -0.786  -6.014
  171   1HB   ASP  24           HB2      ASP  24   9.916  -3.350  -6.465
  172   2HB   ASP  24           HB1      ASP  24   8.199  -3.210  -6.817
  173    H    LEU  25           HN       LEU  25   6.717  -2.612  -5.787
  174    HA   LEU  25           HA       LEU  25   5.073  -0.757  -7.021
  175   1HB   LEU  25           HB2      LEU  25   4.054  -2.801  -6.384
  176   2HB   LEU  25           HB1      LEU  25   4.557  -2.626  -4.703
  177    HG   LEU  25           HG       LEU  25   2.944  -0.355  -5.513
  178   1HD1  LEU  25          HD11      LEU  25   2.141  -2.627  -6.854
  179   2HD1  LEU  25          HD13      LEU  25   1.172  -2.700  -5.383
  180   3HD1  LEU  25          HD12      LEU  25   1.085  -1.280  -6.426
  181   1HD2  LEU  25          HD23      LEU  25   2.890  -2.511  -3.409
  182   2HD2  LEU  25          HD22      LEU  25   3.134  -0.775  -3.210
  183   3HD2  LEU  25          HD21      LEU  25   1.527  -1.404  -3.576
  184    H    CYS  26           HN       CYS  26   6.499  -0.598  -3.831
  185    HA   CYS  26           HA       CYS  26   4.898   1.508  -2.783
  186   1HB   CYS  26           HB2      CYS  26   7.449   0.155  -2.106
  187   2HB   CYS  26           HB1      CYS  26   7.242   1.758  -1.446
  188    H    LEU  27           HN       LEU  27   8.045   1.482  -4.415
  189    HA   LEU  27           HA       LEU  27   8.533   4.259  -4.292
  190   1HB   LEU  27           HB2      LEU  27   9.436   2.184  -6.308
  191   2HB   LEU  27           HB1      LEU  27  10.117   3.806  -6.171
  192    HG   LEU  27           HG       LEU  27   9.959   2.155  -3.690
  193   1HD1  LEU  27          HD13      LEU  27  11.928   1.712  -5.946
  194   2HD1  LEU  27          HD12      LEU  27  12.220   1.187  -4.287
  195   3HD1  LEU  27          HD11      LEU  27  10.867   0.518  -5.198
  196   1HD2  LEU  27          HD23      LEU  27  10.832   4.595  -3.993
  197   2HD2  LEU  27          HD22      LEU  27  11.791   3.475  -3.026
  198   3HD2  LEU  27          HD21      LEU  27  12.260   3.828  -4.689
  199    H    GLU  28           HN       GLU  28   6.707   2.289  -6.587
  200    HA   GLU  28           HA       GLU  28   6.351   4.302  -8.558
  201   1HB   GLU  28           HB2      GLU  28   5.687   1.663  -8.376
  202   2HB   GLU  28           HB1      GLU  28   4.111   2.434  -8.203
  203   1HG   GLU  28           HG2      GLU  28   4.363   3.610 -10.287
  204   2HG   GLU  28           HG1      GLU  28   6.055   3.131 -10.415
  205    NH1  ARG  29           NH2      ARG  29  -0.642   2.537  -7.823
  206    NH2  ARG  29           NH1      ARG  29   1.096   2.698  -9.260
  207    H    ARG  29           HN       ARG  29   4.437   3.404  -5.751
  208    HA   ARG  29           HA       ARG  29   2.305   5.220  -6.219
  209   1HB   ARG  29           HB2      ARG  29   3.274   4.284  -3.511
  210   2HB   ARG  29           HB1      ARG  29   1.653   4.843  -3.924
  211   1HG   ARG  29           HG2      ARG  29   2.964   2.423  -5.176
  212   2HG   ARG  29           HG1      ARG  29   1.870   2.332  -3.803
  213   1HD   ARG  29           HD2      ARG  29   0.331   2.048  -5.489
  214   2HD   ARG  29           HD1      ARG  29   0.352   3.805  -5.455
  215    HE   ARG  29           HE       ARG  29   2.398   3.093  -7.217
  216   1HH1  ARG  29          HH21      ARG  29  -0.999   2.560  -6.889
  217   2HH1  ARG  29          HH22      ARG  29  -1.262   2.376  -8.591
  218   1HH2  ARG  29          HH11      ARG  29   2.071   2.845  -9.426
  219   2HH2  ARG  29          HH12      ARG  29   0.477   2.532 -10.027
  220    H    LYS  30           HN       LYS  30   5.515   5.785  -5.406
  221    HA   LYS  30           HA       LYS  30   6.448   8.034  -5.430
  222   1HB   LYS  30           HB2      LYS  30   4.149   9.054  -5.619
  223   2HB   LYS  30           HB1      LYS  30   3.992   8.876  -3.870
  224   1HG   LYS  30           HG2      LYS  30   6.522  10.125  -4.648
  225   2HG   LYS  30           HG1      LYS  30   5.116  11.056  -5.167
  226   1HD   LYS  30           HD2      LYS  30   4.798  10.031  -2.449
  227   2HD   LYS  30           HD1      LYS  30   6.227  11.054  -2.605
  228   1HE   LYS  30           HE2      LYS  30   4.772  12.764  -3.765
  229   2HE   LYS  30           HE1      LYS  30   3.377  11.772  -3.338
  230   1HZ   LYS  30           HZ1      LYS  30   4.170  11.924  -0.988
  231   2HZ   LYS  30           HZ3      LYS  30   5.286  13.094  -1.500
  232   3HZ   LYS  30           HZ2      LYS  30   3.619  13.387  -1.655
  233    H    ALA  31           HN       ALA  31   6.310   5.696  -3.446
  234    HA   ALA  31           HA       ALA  31   6.913   7.173  -0.948
  235   1HB   ALA  31           HB2      ALA  31   6.379   4.302  -1.612
  236   2HB   ALA  31           HB1      ALA  31   7.241   4.709  -0.127
  237   3HB   ALA  31           HB3      ALA  31   5.613   5.329  -0.399
  238    H    ASP  32           HN       ASP  32   8.915   7.140   0.012
  239    HA   ASP  32           HA       ASP  32  11.225   6.933  -1.633
  240   1HB   ASP  32           HB2      ASP  32  10.723   8.202   0.639
  241   2HB   ASP  32           HB1      ASP  32  11.382   6.734   1.340
  242    H    LYS  33           HN       LYS  33   9.895   4.893   0.949
  243    HA   LYS  33           HA       LYS  33  11.112   2.517  -0.293
  244   1HB   LYS  33           HB2      LYS  33  12.173   1.890   1.963
  245   2HB   LYS  33           HB1      LYS  33  12.997   3.132   1.021
  246   1HG   LYS  33           HG2      LYS  33  12.635   4.706   2.598
  247   2HG   LYS  33           HG1      LYS  33  10.936   4.257   2.754
  248   1HD   LYS  33           HD2      LYS  33  11.915   3.785   4.877
  249   2HD   LYS  33           HD1      LYS  33  11.742   2.222   4.080
  250   1HE   LYS  33           HE2      LYS  33  14.252   3.262   3.272
  251   2HE   LYS  33           HE1      LYS  33  14.145   3.504   5.016
  252   1HZ   LYS  33           HZ1      LYS  33  13.361   0.928   3.821
  253   2HZ   LYS  33           HZ3      LYS  33  14.997   1.264   4.115
  254   3HZ   LYS  33           HZ2      LYS  33  13.888   1.259   5.401
  255    H    GLY  34           HN       GLY  34  10.199   0.534   0.578
  256   1HA   GLY  34           HA2      GLY  34   8.231   0.650   2.726
  257   2HA   GLY  34           HA1      GLY  34   7.491   0.520   1.130
  258    OH   TYR  35           OH       TYR  35   6.350  -1.561   8.543
  259    H    TYR  35           HN       TYR  35   7.684  -1.449   3.434
  260    HA   TYR  35           HA       TYR  35   9.000  -3.679   1.919
  261   1HB   TYR  35           HB2      TYR  35   9.058  -4.861   4.143
  262   2HB   TYR  35           HB1      TYR  35  10.084  -3.443   4.050
  263    HD1  TYR  35           HD2      TYR  35   6.848  -4.743   5.326
  264    HD2  TYR  35           HD1      TYR  35   9.659  -1.494   5.417
  265    HE1  TYR  35           HE2      TYR  35   5.673  -3.779   7.281
  266    HE2  TYR  35           HE1      TYR  35   8.485  -0.538   7.372
  267    HH   TYR  35           HH       TYR  35   5.807  -2.250   8.932
  268    H    CYS  36           HN       CYS  36   7.834  -5.814   3.159
  269    HA   CYS  36           HA       CYS  36   4.966  -5.431   2.446
  270   1HB   CYS  36           HB2      CYS  36   6.349  -6.934   0.991
  271   2HB   CYS  36           HB1      CYS  36   6.564  -7.991   2.377
  272    OH   TYR  37           OH       TYR  37   3.435  -5.914  12.397
  273    H    TYR  37           HN       TYR  37   3.753  -5.332   4.238
  274    HA   TYR  37           HA       TYR  37   4.586  -6.785   6.672
  275   1HB   TYR  37           HB2      TYR  37   3.542  -4.350   6.469
  276   2HB   TYR  37           HB1      TYR  37   2.021  -5.241   6.465
  277    HD1  TYR  37           HD1      TYR  37   3.203  -7.591   8.168
  278    HD2  TYR  37           HD2      TYR  37   3.128  -3.324   8.659
  279    HE1  TYR  37           HE1      TYR  37   3.369  -7.871  10.626
  280    HE2  TYR  37           HE2      TYR  37   3.293  -3.604  11.119
  281    HH   TYR  37           HH       TYR  37   4.104  -6.581  12.573
  282    CH2  TRP  38           CH2      TRP  38   1.488 -15.243   2.492
  283    H    TRP  38           HN       TRP  38   4.164  -8.966   6.260
  284    HA   TRP  38           HA       TRP  38   1.838  -9.901   4.864
  285   1HB   TRP  38           HB2      TRP  38   4.141 -11.079   6.205
  286   2HB   TRP  38           HB1      TRP  38   2.677 -11.998   6.528
  287    HD1  TRP  38           HD1      TRP  38   4.553 -10.527   3.479
  288    HE1  TRP  38           HE1      TRP  38   4.141 -12.093   1.472
  289    HE3  TRP  38           HE3      TRP  38   1.350 -13.887   5.616
  290    HZ2  TRP  38           HZ2      TRP  38   2.645 -14.456   0.854
  291    HZ3  TRP  38           HZ3      TRP  38   0.448 -15.782   4.298
  292    HH2  TRP  38           HH2      TRP  38   1.090 -16.071   1.922
  293    H    GLY  39           HN       GLY  39   2.151 -11.412   7.989
  294   1HA   GLY  39           HA2      GLY  39   0.349 -11.840   9.482
  295   2HA   GLY  39           HA1      GLY  39   0.597 -10.120   9.779
  296    H    LYS  40           HN       LYS  40  -0.884 -12.030   7.126
  297    HA   LYS  40           HA       LYS  40  -2.806 -11.503   5.856
  298   1HB   LYS  40           HB2      LYS  40  -4.855 -11.368   7.294
  299   2HB   LYS  40           HB1      LYS  40  -3.805 -12.720   7.716
  300   1HG   LYS  40           HG2      LYS  40  -2.880 -11.495   9.589
  301   2HG   LYS  40           HG1      LYS  40  -3.740 -10.031   9.111
  302   1HD   LYS  40           HD2      LYS  40  -4.975 -11.081  10.916
  303   2HD   LYS  40           HD1      LYS  40  -5.900 -11.275   9.426
  304   1HE   LYS  40           HE2      LYS  40  -5.905 -13.495   9.804
  305   2HE   LYS  40           HE1      LYS  40  -4.166 -13.488   9.513
  306   1HZ   LYS  40           HZ3      LYS  40  -5.484 -13.010  12.132
  307   2HZ   LYS  40           HZ2      LYS  40  -4.701 -14.444  11.664
  308   3HZ   LYS  40           HZ1      LYS  40  -3.811 -13.009  11.852
  309    H    VAL  41           HN       VAL  41  -1.344  -9.366   5.578
  310    HA   VAL  41           HA       VAL  41  -3.205  -7.104   6.117
  311    HB   VAL  41           HB       VAL  41  -0.197  -6.976   6.435
  312   1HG1  VAL  41          HG11      VAL  41  -1.672  -4.927   5.666
  313   2HG1  VAL  41          HG13      VAL  41  -2.135  -4.890   7.368
  314   3HG1  VAL  41          HG12      VAL  41  -0.441  -4.715   6.912
  315   1HG2  VAL  41          HG22      VAL  41  -2.365  -7.673   8.278
  316   2HG2  VAL  41          HG21      VAL  41  -0.623  -7.875   8.467
  317   3HG2  VAL  41          HG23      VAL  41  -1.379  -6.330   8.855
  318    H    SER  42           HN       SER  42  -0.252  -6.056   4.799
  319    HA   SER  42           HA       SER  42  -0.674  -6.750   2.020
  320   1HB   SER  42           HB2      SER  42  -1.218  -3.913   2.114
  321   2HB   SER  42           HB1      SER  42  -2.158  -5.193   1.349
  322    HG   SER  42           HG       SER  42  -2.903  -3.831   3.368
  323    H    CYS  43           HN       CYS  43   0.206  -4.346   0.887
  324    HA   CYS  43           HA       CYS  43   3.043  -4.438   1.592
  325   1HB   CYS  43           HB2      CYS  43   1.380  -3.101  -0.513
  326   2HB   CYS  43           HB1      CYS  43   2.964  -2.421  -0.161
  327    OH   TYR  44           OH       TYR  44   2.597   2.761   8.554
  328    H    TYR  44           HN       TYR  44   4.248  -2.587   2.316
  329    HA   TYR  44           HA       TYR  44   2.615  -0.411   3.530
  330   1HB   TYR  44           HB2      TYR  44   3.474  -2.258   5.157
  331   2HB   TYR  44           HB1      TYR  44   5.054  -1.514   4.916
  332    HD1  TYR  44           HD2      TYR  44   1.554  -0.813   5.938
  333    HD2  TYR  44           HD1      TYR  44   5.617   0.532   5.987
  334    HE1  TYR  44           HE2      TYR  44   0.938   0.963   7.528
  335    HE2  TYR  44           HE1      TYR  44   5.019   2.319   7.580
  336    HH   TYR  44           HH       TYR  44   1.712   3.064   8.337
  337    H    CYS  45           HN       CYS  45   3.299   1.497   2.681
  338    HA   CYS  45           HA       CYS  45   6.113   1.639   1.693
  339   1HB   CYS  45           HB2      CYS  45   3.782   3.418   0.944
  340   2HB   CYS  45           HB1      CYS  45   5.370   3.390   0.193
  341    OH   TYR  46           OH       TYR  46   7.053   0.812   8.049
  342    H    TYR  46           HN       TYR  46   6.992   3.913   1.722
  343    HA   TYR  46           HA       TYR  46   6.170   5.494   4.103
  344   1HB   TYR  46           HB2      TYR  46   8.950   4.462   3.515
  345   2HB   TYR  46           HB1      TYR  46   8.606   5.704   4.710
  346    HD1  TYR  46           HD2      TYR  46   8.278   2.135   3.859
  347    HD2  TYR  46           HD1      TYR  46   7.474   5.159   6.789
  348    HE1  TYR  46           HE2      TYR  46   7.774   0.381   5.536
  349    HE2  TYR  46           HE1      TYR  46   6.967   3.415   8.467
  350    HH   TYR  46           HH       TYR  46   6.887   1.249   8.889
  351    H    GLY  47           HN       GLY  47   5.650   7.368   3.007
  352   1HA   GLY  47           HA2      GLY  47   6.830   9.446   2.138
  353   2HA   GLY  47           HA1      GLY  47   7.642   8.366   1.003
  354    H    LEU  48           HN       LEU  48   4.438   7.448   1.629
  355    HA   LEU  48           HA       LEU  48   3.587   7.842  -1.068
  356   1HB   LEU  48           HB2      LEU  48   1.867   7.518   1.413
  357   2HB   LEU  48           HB1      LEU  48   1.383   7.178  -0.246
  358    HG   LEU  48           HG       LEU  48   3.743   5.806   1.039
  359   1HD1  LEU  48          HD11      LEU  48   1.335   5.541   2.138
  360   2HD1  LEU  48          HD13      LEU  48   1.087   4.461   0.766
  361   3HD1  LEU  48          HD12      LEU  48   2.390   4.146   1.912
  362   1HD2  LEU  48          HD21      LEU  48   2.927   5.940  -1.570
  363   2HD2  LEU  48          HD23      LEU  48   3.818   4.579  -0.888
  364   3HD2  LEU  48          HD22      LEU  48   2.061   4.506  -1.020
  365    HA   PRO  49           HA       PRO  49   2.269  11.983  -1.297
  366   1HB   PRO  49           HB2      PRO  49  -0.471  11.361  -2.052
  367   2HB   PRO  49           HB1      PRO  49   0.835  12.005  -3.057
  368   1HG   PRO  49           HG2      PRO  49  -0.229   9.367  -3.160
  369   2HG   PRO  49           HG1      PRO  49   1.213   9.957  -3.995
  370   1HD   PRO  49           HD2      PRO  49   1.060   8.159  -1.717
  371   2HD   PRO  49           HD1      PRO  49   2.495   8.636  -2.646
  372    H    ASP  50           HN       ASP  50   1.095  13.545  -0.038
  373    HA   ASP  50           HA       ASP  50   0.412  12.867   2.567
  374   1HB   ASP  50           HB2      ASP  50   0.199  15.198   0.873
  375   2HB   ASP  50           HB1      ASP  50  -1.167  15.074   1.974
  376    H    ASN  51           HN       ASN  51  -1.956  13.751   0.095
  377    HA   ASN  51           HA       ASN  51  -4.097  12.569   1.606
  378   1HB   ASN  51           HB2      ASN  51  -5.478  13.321  -0.282
  379   2HB   ASN  51           HB1      ASN  51  -4.449  14.611   0.312
  380   1HD2  ASN  51          HD22      ASN  51  -3.943  14.811  -3.290
  381   2HD2  ASN  51          HD21      ASN  51  -5.065  15.284  -2.106
  382    H    SER  52           HN       SER  52  -1.786  10.992   0.082
  383    HA   SER  52           HA       SER  52  -2.842   9.413  -1.951
  384   1HB   SER  52           HB2      SER  52  -0.805   8.492  -1.626
  385   2HB   SER  52           HB1      SER  52  -0.734   9.095   0.022
  386    HG   SER  52           HG       SER  52  -1.711   6.660  -0.973
  387    HA   PRO  53           HA       PRO  53  -6.372   7.549  -0.032
  388   1HB   PRO  53           HB2      PRO  53  -6.536   5.542  -2.051
  389   2HB   PRO  53           HB1      PRO  53  -7.447   7.057  -1.973
  390   1HG   PRO  53           HG2      PRO  53  -5.308   6.362  -3.793
  391   2HG   PRO  53           HG1      PRO  53  -6.256   7.854  -3.745
  392   1HD   PRO  53           HD2      PRO  53  -3.517   7.463  -2.909
  393   2HD   PRO  53           HD1      PRO  53  -4.459   8.967  -2.898
  394    H    THR  54           HN       THR  54  -5.866   6.323   1.783
  395    HA   THR  54           HA       THR  54  -4.490   3.712   1.300
  396    HB   THR  54           HB       THR  54  -3.363   3.939   3.431
  397    HG1  THR  54           HG1      THR  54  -3.707   5.801   4.682
  398   1HG2  THR  54          HG23      THR  54  -3.223   6.410   1.693
  399   2HG2  THR  54          HG22      THR  54  -2.087   6.088   3.001
  400   3HG2  THR  54          HG21      THR  54  -2.180   4.988   1.627
  401    H    LYS  55           HN       LYS  55  -4.954   2.146   3.172
  402    HA   LYS  55           HA       LYS  55  -7.574   1.371   3.309
  403   1HB   LYS  55           HB2      LYS  55  -5.276   1.063   5.175
  404   2HB   LYS  55           HB1      LYS  55  -6.871   0.646   5.802
  405   1HG   LYS  55           HG2      LYS  55  -6.023  -0.378   3.107
  406   2HG   LYS  55           HG1      LYS  55  -5.455  -1.189   4.566
  407   1HD   LYS  55           HD2      LYS  55  -7.537  -1.980   5.104
  408   2HD   LYS  55           HD1      LYS  55  -8.358  -0.556   4.462
  409   1HE   LYS  55           HE2      LYS  55  -7.379  -1.555   2.161
  410   2HE   LYS  55           HE1      LYS  55  -7.534  -3.057   3.072
  411   1HZ   LYS  55           HZ2      LYS  55  -9.835  -1.507   3.493
  412   2HZ   LYS  55           HZ1      LYS  55  -9.551  -1.590   1.819
  413   3HZ   LYS  55           HZ3      LYS  55  -9.704  -3.016   2.724
  414    H    THR  56           HN       THR  56  -9.428   2.161   4.165
  415    HA   THR  56           HA       THR  56  -9.251   4.196   6.337
  416    HB   THR  56           HB       THR  56 -10.809   4.311   3.761
  417    HG1  THR  56           HG1      THR  56  -9.571   6.465   5.021
  418   1HG2  THR  56          HG21      THR  56 -11.511   5.436   6.437
  419   2HG2  THR  56          HG23      THR  56 -11.767   6.458   5.021
  420   3HG2  THR  56          HG22      THR  56 -12.568   4.890   5.135
  421    H    SER  57           HN       SER  57 -11.788   2.549   4.543
  422    HA   SER  57           HA       SER  57 -12.562   0.889   6.755
  423   1HB   SER  57           HB2      SER  57 -14.738   1.916   7.214
  424   2HB   SER  57           HB1      SER  57 -13.456   3.083   7.521
  425    HG   SER  57           HG       SER  57 -14.273   4.282   6.012
  426    H    GLY  58           HN       GLY  58 -11.974  -0.107   4.453
  427   1HA   GLY  58           HA2      GLY  58 -14.569  -0.900   3.279
  428   2HA   GLY  58           HA1      GLY  58 -13.384  -0.198   2.175
  429    H    LYS  59           HN       LYS  59 -13.851  -2.597   1.368
  430    HA   LYS  59           HA       LYS  59 -11.594  -4.228   2.430
  431   1HB   LYS  59           HB2      LYS  59 -13.003  -6.271   2.158
  432   2HB   LYS  59           HB1      LYS  59 -13.607  -5.182   3.408
  433   1HG   LYS  59           HG2      LYS  59 -15.339  -4.353   1.990
  434   2HG   LYS  59           HG1      LYS  59 -14.613  -5.083   0.557
  435   1HD   LYS  59           HD2      LYS  59 -15.239  -7.258   1.191
  436   2HD   LYS  59           HD1      LYS  59 -15.469  -6.799   2.879
  437   1HE   LYS  59           HE2      LYS  59 -17.180  -5.281   1.046
  438   2HE   LYS  59           HE1      LYS  59 -17.485  -7.019   0.991
  439   1HZ   LYS  59           HZ2      LYS  59 -17.322  -5.449   3.504
  440   2HZ   LYS  59           HZ1      LYS  59 -18.780  -5.800   2.705
  441   3HZ   LYS  59           HZ3      LYS  59 -17.832  -7.060   3.329
  442    H    CYS  60           HN       CYS  60 -12.036  -2.514  -0.001
  443    HA   CYS  60           HA       CYS  60 -11.422  -2.625  -2.262
  444   1HB   CYS  60           HB2      CYS  60  -9.574  -4.039  -1.420
  445   2HB   CYS  60           HB1      CYS  60 -10.613  -5.455  -1.531
  446    H    ASN  61           HN       ASN  61 -13.521  -2.474  -3.122
  447    HA   ASN  61           HA       ASN  61 -14.643  -5.064  -4.073
  448   1HB   ASN  61           HB2      ASN  61 -15.859  -3.923  -2.021
  449   2HB   ASN  61           HB1      ASN  61 -16.514  -2.862  -3.265
  450   1HD2  ASN  61          HD22      ASN  61 -18.887  -5.243  -4.265
  451   2HD2  ASN  61          HD21      ASN  61 -18.418  -3.613  -4.168
  452    HA   PRO  62           HA       PRO  62 -14.314  -2.805  -7.883
  453   1HB   PRO  62           HB2      PRO  62 -16.132  -4.664  -9.133
  454   2HB   PRO  62           HB1      PRO  62 -14.375  -4.567  -9.312
  455   1HG   PRO  62           HG2      PRO  62 -15.873  -6.569  -7.895
  456   2HG   PRO  62           HG1      PRO  62 -14.115  -6.432  -8.031
  457   1HD   PRO  62           HD2      PRO  62 -15.759  -5.903  -5.716
  458   2HD   PRO  62           HD1      PRO  62 -13.992  -5.799  -5.850
  459    H    ALA  63           HN       ALA  63 -15.478  -0.928  -7.950
  460    HA   ALA  63           HA       ALA  63 -18.210  -0.878  -8.802
  461   1HB   ALA  63           HB2      ALA  63 -18.597  -1.619  -6.458
  462   2HB   ALA  63           HB1      ALA  63 -17.764  -0.175  -5.884
  463   3HB   ALA  63           HB3      ALA  63 -19.281  -0.024  -6.770
   
  Start of MODEL           2
 Raw file had  463 H/Q atoms
  Start of MODEL    2
    1   1H    LYS   1           HT3      LYS   1   3.398  14.096   3.860
    2   2H    LYS   1           HT2      LYS   1   4.809  14.247   2.925
    3   3H    LYS   1           HT1      LYS   1   3.287  14.534   2.225
    4    HA   LYS   1           HA       LYS   1   2.962  12.400   1.771
    5   1HB   LYS   1           HB2      LYS   1   5.793  12.063   2.801
    6   2HB   LYS   1           HB1      LYS   1   4.970  11.037   1.626
    7   1HG   LYS   1           HG2      LYS   1   5.367  12.477  -0.076
    8   2HG   LYS   1           HG1      LYS   1   4.939  13.881   0.901
    9   1HD   LYS   1           HD2      LYS   1   7.097  14.230   1.596
   10   2HD   LYS   1           HD1      LYS   1   7.487  12.510   1.590
   11   1HE   LYS   1           HE2      LYS   1   6.890  13.603  -1.077
   12   2HE   LYS   1           HE1      LYS   1   8.317  14.308  -0.317
   13   1HZ   LYS   1           HZ3      LYS   1   8.221  11.489   0.058
   14   2HZ   LYS   1           HZ2      LYS   1   8.169  11.886  -1.594
   15   3HZ   LYS   1           HZ1      LYS   1   9.449  12.442  -0.623
   16    H    LYS   2           HN       LYS   2   3.277  10.003   2.727
   17    HA   LYS   2           HA       LYS   2   3.372   9.828   5.629
   18   1HB   LYS   2           HB2      LYS   2   0.986   9.172   5.914
   19   2HB   LYS   2           HB1      LYS   2   1.159  10.849   5.395
   20   1HG   LYS   2           HG2      LYS   2  -0.366  10.247   3.811
   21   2HG   LYS   2           HG1      LYS   2   1.052   9.600   2.983
   22   1HD   LYS   2           HD2      LYS   2   0.438   7.442   3.357
   23   2HD   LYS   2           HD1      LYS   2  -0.109   7.788   5.000
   24   1HE   LYS   2           HE2      LYS   2  -1.970   7.125   3.445
   25   2HE   LYS   2           HE1      LYS   2  -2.192   8.712   4.178
   26   1HZ   LYS   2           HZ2      LYS   2  -0.694   8.960   1.803
   27   2HZ   LYS   2           HZ1      LYS   2  -2.120   8.098   1.477
   28   3HZ   LYS   2           HZ3      LYS   2  -2.205   9.636   2.185
   29    H    ASP   3           HN       ASP   3   3.157   7.598   6.349
   30    HA   ASP   3           HA       ASP   3   3.763   5.653   4.186
   31   1HB   ASP   3           HB2      ASP   3   3.805   4.899   7.063
   32   2HB   ASP   3           HB1      ASP   3   4.946   4.487   5.782
   33    H    GLY   4           HN       GLY   4   2.606   3.548   4.225
   34   1HA   GLY   4           HA2      GLY   4   0.612   2.646   5.862
   35   2HA   GLY   4           HA1      GLY   4  -0.223   3.911   4.965
   36    OH   TYR   5           OH       TYR   5   0.040  -2.931   7.924
   37    H    TYR   5           HN       TYR   5  -1.379   1.650   4.527
   38    HA   TYR   5           HA       TYR   5  -0.121   0.104   2.373
   39   1HB   TYR   5           HB2      TYR   5  -2.961  -0.045   3.424
   40   2HB   TYR   5           HB1      TYR   5  -2.137  -1.256   2.445
   41    HD1  TYR   5           HD2      TYR   5  -2.353   0.304   5.782
   42    HD2  TYR   5           HD1      TYR   5  -0.450  -2.721   3.399
   43    HE1  TYR   5           HE2      TYR   5  -1.461  -0.757   7.840
   44    HE2  TYR   5           HE1      TYR   5   0.440  -3.780   5.455
   45    HH   TYR   5           HH       TYR   5   0.930  -2.602   8.068
   46    HA   PRO   6           HA       PRO   6  -1.818   3.089  -0.545
   47   1HB   PRO   6           HB2      PRO   6  -0.674   1.600  -2.697
   48   2HB   PRO   6           HB1      PRO   6  -0.050   3.088  -1.972
   49   1HG   PRO   6           HG2      PRO   6   1.044   0.428  -1.750
   50   2HG   PRO   6           HG1      PRO   6   1.656   1.922  -1.031
   51   1HD   PRO   6           HD2      PRO   6   0.292  -0.267   0.291
   52   2HD   PRO   6           HD1      PRO   6   0.997   1.191   1.019
   53    H    VAL   7           HN       VAL   7  -3.961   2.833  -1.113
   54    HA   VAL   7           HA       VAL   7  -4.771   0.152  -2.177
   55    HB   VAL   7           HB       VAL   7  -7.038   0.658  -1.387
   56   1HG1  VAL   7          HG13      VAL   7  -4.847   1.027   0.671
   57   2HG1  VAL   7          HG12      VAL   7  -6.531   0.690   1.075
   58   3HG1  VAL   7          HG11      VAL   7  -5.586  -0.493   0.171
   59   1HG2  VAL   7          HG22      VAL   7  -6.721   3.177  -1.663
   60   2HG2  VAL   7          HG21      VAL   7  -7.572   2.669  -0.206
   61   3HG2  VAL   7          HG23      VAL   7  -5.880   3.142  -0.118
   62    H    ASP   8           HN       ASP   8  -5.692   0.077  -4.187
   63    HA   ASP   8           HA       ASP   8  -5.376   2.199  -6.023
   64   1HB   ASP   8           HB2      ASP   8  -7.298   0.909  -7.285
   65   2HB   ASP   8           HB1      ASP   8  -5.728   0.138  -7.055
   66    H    SER   9           HN       SER   9  -7.719   2.753  -7.310
   67    HA   SER   9           HA       SER   9  -8.901   4.763  -5.616
   68   1HB   SER   9           HB2      SER   9 -10.653   4.629  -7.656
   69   2HB   SER   9           HB1      SER   9  -9.084   5.415  -7.814
   70    HG   SER   9           HG       SER   9  -8.923   4.009  -9.401
   71    H    GLY  10           HN       GLY  10  -9.411   1.434  -5.784
   72   1HA   GLY  10           HA2      GLY  10 -12.271   1.642  -4.994
   73   2HA   GLY  10           HA1      GLY  10 -11.435   0.149  -5.419
   74    H    ASN  11           HN       ASN  11  -9.304   1.726  -3.494
   75    HA   ASN  11           HA       ASN  11  -8.831   1.697  -1.185
   76   1HB   ASN  11           HB2      ASN  11 -11.583   1.831  -1.204
   77   2HB   ASN  11           HB1      ASN  11 -11.290   0.328  -0.330
   78   1HD2  ASN  11          HD22      ASN  11 -10.600   2.134   2.601
   79   2HD2  ASN  11          HD21      ASN  11 -11.350   0.798   1.868
   80    H    CYS  12           HN       CYS  12  -8.044  -0.351  -2.924
   81    HA   CYS  12           HA       CYS  12  -8.260  -2.755  -1.159
   82   1HB   CYS  12           HB2      CYS  12  -8.329  -2.426  -4.098
   83   2HB   CYS  12           HB1      CYS  12  -7.321  -3.750  -3.514
   84    H    LYS  13           HN       LYS  13  -6.425  -3.126  -0.060
   85    HA   LYS  13           HA       LYS  13  -3.990  -1.691  -0.516
   86   1HB   LYS  13           HB2      LYS  13  -4.372  -4.275   1.022
   87   2HB   LYS  13           HB1      LYS  13  -3.039  -3.136   1.205
   88   1HG   LYS  13           HG2      LYS  13  -4.815  -1.381   1.779
   89   2HG   LYS  13           HG1      LYS  13  -5.946  -2.727   1.923
   90   1HD   LYS  13           HD2      LYS  13  -3.341  -2.989   3.351
   91   2HD   LYS  13           HD1      LYS  13  -4.512  -1.850   4.018
   92   1HE   LYS  13           HE2      LYS  13  -4.860  -4.049   5.028
   93   2HE   LYS  13           HE1      LYS  13  -6.233  -3.664   3.993
   94   1HZ   LYS  13           HZ2      LYS  13  -4.028  -5.035   2.703
   95   2HZ   LYS  13           HZ1      LYS  13  -4.883  -5.947   3.855
   96   3HZ   LYS  13           HZ3      LYS  13  -5.703  -5.266   2.536
   97    OH   TYR  14           OH       TYR  14  -3.372   0.768  -6.983
   98    H    TYR  14           HN       TYR  14  -2.249  -2.172  -1.802
   99    HA   TYR  14           HA       TYR  14  -2.409  -4.389  -3.678
  100   1HB   TYR  14           HB2      TYR  14  -0.109  -2.529  -2.971
  101   2HB   TYR  14           HB1      TYR  14  -0.091  -3.674  -4.311
  102    HD1  TYR  14           HD1      TYR  14  -1.897  -3.458  -6.115
  103    HD2  TYR  14           HD2      TYR  14  -1.105  -0.403  -3.204
  104    HE1  TYR  14           HE1      TYR  14  -3.051  -1.795  -7.549
  105    HE2  TYR  14           HE2      TYR  14  -2.259   1.262  -4.635
  106    HH   TYR  14           HH       TYR  14  -3.917   0.292  -7.613
  107    H    GLU  15           HN       GLU  15  -2.276  -6.408  -2.733
  108    HA   GLU  15           HA       GLU  15  -1.107  -7.186  -0.354
  109   1HB   GLU  15           HB2      GLU  15  -1.196  -8.709  -2.961
  110   2HB   GLU  15           HB1      GLU  15  -0.754  -9.437  -1.417
  111   1HG   GLU  15           HG2      GLU  15  -3.176  -7.921  -1.085
  112   2HG   GLU  15           HG1      GLU  15  -3.367  -9.028  -2.446
  113    H    CYS  16           HN       CYS  16   0.928  -8.756  -0.270
  114    HA   CYS  16           HA       CYS  16   3.169  -7.700  -1.888
  115   1HB   CYS  16           HB2      CYS  16   4.477  -7.006  -0.008
  116   2HB   CYS  16           HB1      CYS  16   2.891  -6.263   0.192
  117    H    LEU  17           HN       LEU  17   5.032  -9.082  -1.837
  118    HA   LEU  17           HA       LEU  17   4.723 -11.657  -0.374
  119   1HB   LEU  17           HB2      LEU  17   5.728 -12.637  -2.649
  120   2HB   LEU  17           HB1      LEU  17   3.989 -12.484  -2.408
  121    HG   LEU  17           HG       LEU  17   5.595 -10.228  -3.600
  122   1HD1  LEU  17          HD13      LEU  17   5.713 -12.606  -4.794
  123   2HD1  LEU  17          HD12      LEU  17   4.099 -12.150  -5.341
  124   3HD1  LEU  17          HD11      LEU  17   5.483 -11.130  -5.732
  125   1HD2  LEU  17          HD23      LEU  17   2.886 -10.653  -2.851
  126   2HD2  LEU  17          HD22      LEU  17   3.561  -9.258  -3.693
  127   3HD2  LEU  17          HD21      LEU  17   2.927 -10.624  -4.614
  128    H    LYS  18           HN       LYS  18   6.785  -9.518  -2.309
  129    HA   LYS  18           HA       LYS  18   9.128 -10.515  -0.736
  130   1HB   LYS  18           HB2      LYS  18   8.810  -9.934  -3.650
  131   2HB   LYS  18           HB1      LYS  18  10.348  -9.505  -2.899
  132   1HG   LYS  18           HG2      LYS  18  10.854 -11.686  -3.378
  133   2HG   LYS  18           HG1      LYS  18  10.011 -11.979  -1.857
  134   1HD   LYS  18           HD2      LYS  18   8.928 -13.462  -3.312
  135   2HD   LYS  18           HD1      LYS  18   7.867 -12.053  -3.359
  136   1HE   LYS  18           HE2      LYS  18   8.430 -11.534  -5.513
  137   2HE   LYS  18           HE1      LYS  18  10.106 -12.042  -5.302
  138   1HZ   LYS  18           HZ2      LYS  18   8.166 -14.175  -5.132
  139   2HZ   LYS  18           HZ1      LYS  18   8.258 -13.434  -6.659
  140   3HZ   LYS  18           HZ3      LYS  18   9.648 -14.115  -5.963
  141    H    ASP  19           HN       ASP  19  10.643  -8.861  -0.099
  142    HA   ASP  19           HA       ASP  19   9.441  -6.349   0.584
  143   1HB   ASP  19           HB2      ASP  19  11.657  -7.701   1.424
  144   2HB   ASP  19           HB1      ASP  19  12.392  -6.430   0.448
  145    H    ASP  20           HN       ASP  20  11.018  -7.457  -2.278
  146    HA   ASP  20           HA       ASP  20  11.744  -4.781  -3.223
  147   1HB   ASP  20           HB2      ASP  20  11.882  -6.247  -5.452
  148   2HB   ASP  20           HB1      ASP  20  13.159  -6.298  -4.247
  149    OH   TYR  21           OH       TYR  21   1.538  -5.738  -6.625
  150    H    TYR  21           HN       TYR  21   8.964  -6.865  -3.304
  151    HA   TYR  21           HA       TYR  21   7.718  -5.613  -5.620
  152   1HB   TYR  21           HB2      TYR  21   7.037  -7.864  -4.911
  153   2HB   TYR  21           HB1      TYR  21   6.515  -7.230  -3.350
  154    HD1  TYR  21           HD1      TYR  21   5.966  -6.748  -7.030
  155    HD2  TYR  21           HD2      TYR  21   4.295  -6.510  -3.079
  156    HE1  TYR  21           HE1      TYR  21   3.749  -6.196  -7.996
  157    HE2  TYR  21           HE2      TYR  21   2.081  -5.956  -4.054
  158    HH   TYR  21           HH       TYR  21   1.432  -4.784  -6.606
  159    H    CYS  22           HN       CYS  22   7.751  -5.080  -2.139
  160    HA   CYS  22           HA       CYS  22   5.648  -3.057  -2.213
  161   1HB   CYS  22           HB2      CYS  22   7.708  -3.788  -0.116
  162   2HB   CYS  22           HB1      CYS  22   6.480  -2.549   0.117
  163    H    ASN  23           HN       ASN  23   9.188  -2.975  -1.770
  164    HA   ASN  23           HA       ASN  23   9.507  -0.168  -1.709
  165   1HB   ASN  23           HB2      ASN  23  11.185  -2.160  -1.404
  166   2HB   ASN  23           HB1      ASN  23  11.447  -1.985  -3.128
  167   1HD2  ASN  23          HD22      ASN  23  13.947   0.344  -1.974
  168   2HD2  ASN  23          HD21      ASN  23  13.717  -1.273  -2.436
  169    H    ASP  24           HN       ASP  24   9.508  -2.397  -4.468
  170    HA   ASP  24           HA       ASP  24   9.945  -0.362  -6.462
  171   1HB   ASP  24           HB2      ASP  24  10.132  -2.914  -6.730
  172   2HB   ASP  24           HB1      ASP  24   8.383  -2.909  -6.910
  173    H    LEU  25           HN       LEU  25   6.924  -2.211  -6.078
  174    HA   LEU  25           HA       LEU  25   5.176  -0.528  -7.381
  175   1HB   LEU  25           HB2      LEU  25   4.335  -2.587  -6.536
  176   2HB   LEU  25           HB1      LEU  25   4.811  -2.196  -4.888
  177    HG   LEU  25           HG       LEU  25   3.094  -0.118  -5.521
  178   1HD1  LEU  25          HD11      LEU  25   2.649  -2.076  -7.470
  179   2HD1  LEU  25          HD13      LEU  25   1.368  -2.331  -6.285
  180   3HD1  LEU  25          HD12      LEU  25   1.561  -0.752  -7.049
  181   1HD2  LEU  25          HD23      LEU  25   3.317  -1.811  -3.514
  182   2HD2  LEU  25          HD22      LEU  25   1.765  -1.036  -3.826
  183   3HD2  LEU  25          HD21      LEU  25   2.048  -2.691  -4.366
  184    H    CYS  26           HN       CYS  26   6.687  -0.012  -4.286
  185    HA   CYS  26           HA       CYS  26   5.009   2.097  -3.366
  186   1HB   CYS  26           HB2      CYS  26   7.668   0.943  -2.674
  187   2HB   CYS  26           HB1      CYS  26   7.306   2.533  -2.055
  188    H    LEU  27           HN       LEU  27   8.197   2.056  -4.946
  189    HA   LEU  27           HA       LEU  27   8.511   4.854  -5.141
  190   1HB   LEU  27           HB2      LEU  27   9.579   2.526  -6.731
  191   2HB   LEU  27           HB1      LEU  27   9.983   4.187  -7.169
  192    HG   LEU  27           HG       LEU  27  10.264   3.482  -4.297
  193   1HD1  LEU  27          HD13      LEU  27  11.169   1.516  -5.718
  194   2HD1  LEU  27          HD12      LEU  27  12.423   2.645  -6.233
  195   3HD1  LEU  27          HD11      LEU  27  12.254   2.232  -4.527
  196   1HD2  LEU  27          HD21      LEU  27  11.043   5.544  -6.054
  197   2HD2  LEU  27          HD23      LEU  27  11.496   5.369  -4.359
  198   3HD2  LEU  27          HD22      LEU  27  12.533   4.705  -5.623
  199    H    GLU  28           HN       GLU  28   6.859   2.521  -7.205
  200    HA   GLU  28           HA       GLU  28   6.344   4.173  -9.417
  201   1HB   GLU  28           HB2      GLU  28   5.299   1.674  -8.328
  202   2HB   GLU  28           HB1      GLU  28   4.071   2.609  -9.184
  203   1HG   GLU  28           HG2      GLU  28   6.801   1.894 -10.297
  204   2HG   GLU  28           HG1      GLU  28   5.294   1.072 -10.706
  205    NH1  ARG  29           NH2      ARG  29   0.470   2.999  -7.154
  206    NH2  ARG  29           NH1      ARG  29  -0.133   0.823  -7.207
  207    H    ARG  29           HN       ARG  29   4.538   3.732  -6.434
  208    HA   ARG  29           HA       ARG  29   2.416   5.517  -7.110
  209   1HB   ARG  29           HB2      ARG  29   3.297   5.085  -4.276
  210   2HB   ARG  29           HB1      ARG  29   1.661   5.257  -4.913
  211   1HG   ARG  29           HG2      ARG  29   2.478   3.039  -6.259
  212   2HG   ARG  29           HG1      ARG  29   3.380   2.852  -4.755
  213   1HD   ARG  29           HD2      ARG  29   1.507   2.474  -3.533
  214   2HD   ARG  29           HD1      ARG  29   0.575   3.692  -4.394
  215    HE   ARG  29           HE       ARG  29   0.441   0.879  -4.826
  216   1HH1  ARG  29          HH21      ARG  29   0.795   3.796  -6.649
  217   2HH1  ARG  29          HH22      ARG  29   0.241   3.082  -8.123
  218   1HH2  ARG  29          HH11      ARG  29  -0.269  -0.051  -6.739
  219   2HH2  ARG  29          HH12      ARG  29  -0.355   0.910  -8.179
  220    H    LYS  30           HN       LYS  30   5.560   5.952  -5.762
  221    HA   LYS  30           HA       LYS  30   6.666   8.170  -6.170
  222   1HB   LYS  30           HB2      LYS  30   5.584  10.204  -5.525
  223   2HB   LYS  30           HB1      LYS  30   4.404   9.321  -6.487
  224   1HG   LYS  30           HG2      LYS  30   2.973   9.461  -4.743
  225   2HG   LYS  30           HG1      LYS  30   4.065   8.423  -3.825
  226   1HD   LYS  30           HD2      LYS  30   3.768  10.418  -2.527
  227   2HD   LYS  30           HD1      LYS  30   5.381  10.522  -3.235
  228   1HE   LYS  30           HE2      LYS  30   4.030  11.723  -5.203
  229   2HE   LYS  30           HE1      LYS  30   2.911  12.076  -3.887
  230   1HZ   LYS  30           HZ3      LYS  30   5.039  12.798  -2.655
  231   2HZ   LYS  30           HZ2      LYS  30   5.717  12.906  -4.209
  232   3HZ   LYS  30           HZ1      LYS  30   4.360  13.843  -3.804
  233    H    ALA  31           HN       ALA  31   5.831   6.089  -3.865
  234    HA   ALA  31           HA       ALA  31   6.527   7.586  -1.467
  235   1HB   ALA  31           HB3      ALA  31   5.735   4.827  -2.139
  236   2HB   ALA  31           HB2      ALA  31   6.856   4.954  -0.785
  237   3HB   ALA  31           HB1      ALA  31   5.316   5.811  -0.736
  238    H    ASP  32           HN       ASP  32   8.438   7.178  -0.177
  239    HA   ASP  32           HA       ASP  32  10.862   7.091  -1.719
  240   1HB   ASP  32           HB2      ASP  32  10.356   8.355   0.502
  241   2HB   ASP  32           HB1      ASP  32  10.728   6.821   1.275
  242    H    LYS  33           HN       LYS  33   9.619   5.065   0.938
  243    HA   LYS  33           HA       LYS  33  10.804   2.686  -0.414
  244   1HB   LYS  33           HB2      LYS  33  11.809   1.931   1.733
  245   2HB   LYS  33           HB1      LYS  33  12.531   3.434   1.155
  246   1HG   LYS  33           HG2      LYS  33  12.078   4.229   3.233
  247   2HG   LYS  33           HG1      LYS  33  10.414   4.351   2.659
  248   1HD   LYS  33           HD2      LYS  33  10.188   3.093   4.630
  249   2HD   LYS  33           HD1      LYS  33  10.230   1.852   3.378
  250   1HE   LYS  33           HE2      LYS  33  12.905   2.207   3.921
  251   2HE   LYS  33           HE1      LYS  33  12.172   2.428   5.511
  252   1HZ   LYS  33           HZ1      LYS  33  11.154   0.210   3.938
  253   2HZ   LYS  33           HZ3      LYS  33  12.752   0.048   4.482
  254   3HZ   LYS  33           HZ2      LYS  33  11.497   0.299   5.600
  255    H    GLY  34           HN       GLY  34  10.091   0.630   0.817
  256   1HA   GLY  34           HA2      GLY  34   7.816   0.722   2.560
  257   2HA   GLY  34           HA1      GLY  34   7.282   0.479   0.900
  258    OH   TYR  35           OH       TYR  35   6.752  -0.780   8.513
  259    H    TYR  35           HN       TYR  35   7.302  -1.392   3.289
  260    HA   TYR  35           HA       TYR  35   8.832  -3.579   1.939
  261   1HB   TYR  35           HB2      TYR  35   8.932  -4.629   4.281
  262   2HB   TYR  35           HB1      TYR  35  10.010  -3.284   3.953
  263    HD1  TYR  35           HD1      TYR  35   6.368  -3.528   4.910
  264    HD2  TYR  35           HD2      TYR  35  10.251  -1.929   5.833
  265    HE1  TYR  35           HE1      TYR  35   5.413  -2.321   6.840
  266    HE2  TYR  35           HE2      TYR  35   9.288  -0.723   7.770
  267    HH   TYR  35           HH       TYR  35   7.093  -1.191   9.311
  268    H    CYS  36           HN       CYS  36   7.969  -5.777   2.748
  269    HA   CYS  36           HA       CYS  36   5.055  -5.770   2.276
  270   1HB   CYS  36           HB2      CYS  36   6.281  -7.202   0.866
  271   2HB   CYS  36           HB1      CYS  36   7.238  -7.839   2.191
  272    OH   TYR  37           OH       TYR  37   2.606  -6.369  12.225
  273    H    TYR  37           HN       TYR  37   3.876  -5.557   4.095
  274    HA   TYR  37           HA       TYR  37   4.752  -6.936   6.576
  275   1HB   TYR  37           HB2      TYR  37   3.989  -4.490   6.554
  276   2HB   TYR  37           HB1      TYR  37   2.367  -5.096   6.227
  277    HD1  TYR  37           HD2      TYR  37   5.235  -5.845   8.538
  278    HD2  TYR  37           HD1      TYR  37   0.986  -5.427   8.071
  279    HE1  TYR  37           HE2      TYR  37   4.926  -6.298  10.957
  280    HE2  TYR  37           HE1      TYR  37   0.676  -5.879  10.489
  281    HH   TYR  37           HH       TYR  37   1.767  -6.820  12.337
  282    CH2  TRP  38           CH2      TRP  38   1.134 -13.962   1.423
  283    H    TRP  38           HN       TRP  38   4.184  -9.076   6.277
  284    HA   TRP  38           HA       TRP  38   1.765  -9.879   4.926
  285   1HB   TRP  38           HB2      TRP  38   4.030 -11.226   6.258
  286   2HB   TRP  38           HB1      TRP  38   2.510 -12.119   6.279
  287    HD1  TRP  38           HD1      TRP  38   5.143 -10.742   3.899
  288    HE1  TRP  38           HE1      TRP  38   4.754 -11.757   1.558
  289    HE3  TRP  38           HE3      TRP  38   0.703 -13.128   4.700
  290    HZ2  TRP  38           HZ2      TRP  38   2.810 -13.367   0.207
  291    HZ3  TRP  38           HZ3      TRP  38  -0.397 -14.392   2.875
  292    HH2  TRP  38           HH2      TRP  38   0.651 -14.515   0.631
  293    H    GLY  39           HN       GLY  39   2.142 -11.608   7.909
  294   1HA   GLY  39           HA2      GLY  39   0.506 -11.966   9.570
  295   2HA   GLY  39           HA1      GLY  39   0.517 -10.201   9.696
  296    H    LYS  40           HN       LYS  40  -0.318 -11.856   6.735
  297    HA   LYS  40           HA       LYS  40  -2.310 -11.931   5.510
  298   1HB   LYS  40           HB2      LYS  40  -3.187 -12.108   8.338
  299   2HB   LYS  40           HB1      LYS  40  -4.416 -11.549   7.203
  300   1HG   LYS  40           HG2      LYS  40  -2.816 -14.118   7.032
  301   2HG   LYS  40           HG1      LYS  40  -4.548 -13.967   7.325
  302   1HD   LYS  40           HD2      LYS  40  -4.499 -12.645   5.031
  303   2HD   LYS  40           HD1      LYS  40  -3.016 -13.568   4.780
  304   1HE   LYS  40           HE2      LYS  40  -4.751 -14.916   3.866
  305   2HE   LYS  40           HE1      LYS  40  -4.377 -15.640   5.430
  306   1HZ   LYS  40           HZ3      LYS  40  -6.242 -13.761   6.023
  307   2HZ   LYS  40           HZ2      LYS  40  -6.786 -14.373   4.534
  308   3HZ   LYS  40           HZ1      LYS  40  -6.538 -15.421   5.848
  309    H    VAL  41           HN       VAL  41  -0.972  -9.603   5.435
  310    HA   VAL  41           HA       VAL  41  -3.145  -7.567   5.585
  311    HB   VAL  41           HB       VAL  41  -0.214  -7.124   6.216
  312   1HG1  VAL  41          HG13      VAL  41  -1.662  -5.246   5.143
  313   2HG1  VAL  41          HG12      VAL  41  -2.492  -5.211   6.699
  314   3HG1  VAL  41          HG11      VAL  41  -0.763  -4.871   6.612
  315   1HG2  VAL  41          HG23      VAL  41  -2.690  -7.388   7.935
  316   2HG2  VAL  41          HG22      VAL  41  -1.194  -8.313   8.047
  317   3HG2  VAL  41          HG21      VAL  41  -1.216  -6.614   8.515
  318    H    SER  42           HN       SER  42  -0.165  -6.308   4.482
  319    HA   SER  42           HA       SER  42  -0.284  -7.172   1.721
  320   1HB   SER  42           HB2      SER  42  -1.994  -4.911   2.573
  321   2HB   SER  42           HB1      SER  42  -1.013  -4.615   1.143
  322    HG   SER  42           HG       SER  42  -3.240  -5.806   1.114
  323    H    CYS  43           HN       CYS  43   0.648  -4.915   0.442
  324    HA   CYS  43           HA       CYS  43   3.382  -4.745   1.351
  325   1HB   CYS  43           HB2      CYS  43   1.785  -3.770  -0.911
  326   2HB   CYS  43           HB1      CYS  43   2.993  -2.603  -0.386
  327    OH   TYR  44           OH       TYR  44   1.832   2.383   8.116
  328    H    TYR  44           HN       TYR  44   4.409  -2.506   1.701
  329    HA   TYR  44           HA       TYR  44   2.578  -0.571   3.028
  330   1HB   TYR  44           HB2      TYR  44   3.728  -2.306   4.663
  331   2HB   TYR  44           HB1      TYR  44   5.134  -1.268   4.438
  332    HD1  TYR  44           HD2      TYR  44   1.716  -1.497   5.738
  333    HD2  TYR  44           HD1      TYR  44   5.118   1.090   5.234
  334    HE1  TYR  44           HE2      TYR  44   0.742   0.101   7.351
  335    HE2  TYR  44           HE1      TYR  44   4.141   2.681   6.856
  336    HH   TYR  44           HH       TYR  44   1.696   3.220   7.666
  337    H    CYS  45           HN       CYS  45   3.136   1.487   2.364
  338    HA   CYS  45           HA       CYS  45   5.847   1.802   1.159
  339   1HB   CYS  45           HB2      CYS  45   3.276   3.303   0.680
  340   2HB   CYS  45           HB1      CYS  45   4.828   3.880   0.097
  341    OH   TYR  46           OH       TYR  46   6.698   1.502   8.161
  342    H    TYR  46           HN       TYR  46   6.529   4.180   1.216
  343    HA   TYR  46           HA       TYR  46   5.941   5.551   3.762
  344   1HB   TYR  46           HB2      TYR  46   8.570   4.282   3.037
  345   2HB   TYR  46           HB1      TYR  46   8.520   5.691   4.091
  346    HD1  TYR  46           HD1      TYR  46   7.384   5.574   6.268
  347    HD2  TYR  46           HD2      TYR  46   7.797   2.114   3.781
  348    HE1  TYR  46           HE1      TYR  46   6.834   4.135   8.203
  349    HE2  TYR  46           HE2      TYR  46   7.247   0.660   5.714
  350    HH   TYR  46           HH       TYR  46   5.819   1.144   8.022
  351    H    GLY  47           HN       GLY  47   5.124   7.053   2.091
  352   1HA   GLY  47           HA2      GLY  47   6.388   9.352   1.583
  353   2HA   GLY  47           HA1      GLY  47   7.164   8.339   0.371
  354    H    LEU  48           HN       LEU  48   3.786   7.942   1.309
  355    HA   LEU  48           HA       LEU  48   2.991   8.464  -1.487
  356   1HB   LEU  48           HB2      LEU  48   1.294   7.615   0.886
  357   2HB   LEU  48           HB1      LEU  48   0.820   7.565  -0.811
  358    HG   LEU  48           HG       LEU  48   3.073   5.960   0.447
  359   1HD1  LEU  48          HD13      LEU  48   0.230   5.510   0.191
  360   2HD1  LEU  48          HD12      LEU  48   1.115   4.323  -0.767
  361   3HD1  LEU  48          HD11      LEU  48   1.447   4.490   0.957
  362   1HD2  LEU  48          HD21      LEU  48   3.356   6.715  -1.980
  363   2HD2  LEU  48          HD23      LEU  48   3.389   4.974  -1.711
  364   3HD2  LEU  48          HD22      LEU  48   1.936   5.740  -2.353
  365    HA   PRO  49           HA       PRO  49   1.549  12.539  -0.906
  366   1HB   PRO  49           HB2      PRO  49  -1.117  12.034  -1.936
  367   2HB   PRO  49           HB1      PRO  49   0.229  12.868  -2.725
  368   1HG   PRO  49           HG2      PRO  49  -0.779  10.265  -3.351
  369   2HG   PRO  49           HG1      PRO  49   0.645  11.054  -4.040
  370   1HD   PRO  49           HD2      PRO  49   0.565   8.834  -2.181
  371   2HD   PRO  49           HD1      PRO  49   1.989   9.588  -2.926
  372    H    ASP  50           HN       ASP  50   0.204  13.759   0.577
  373    HA   ASP  50           HA       ASP  50  -0.614  12.394   2.898
  374   1HB   ASP  50           HB2      ASP  50  -0.832  15.147   1.823
  375   2HB   ASP  50           HB1      ASP  50  -1.935  14.719   3.120
  376    H    ASN  51           HN       ASN  51  -2.453  13.678   0.207
  377    HA   ASN  51           HA       ASN  51  -4.960  12.711   1.271
  378   1HB   ASN  51           HB2      ASN  51  -5.760  13.548  -1.034
  379   2HB   ASN  51           HB1      ASN  51  -5.167  14.741   0.103
  380   1HD2  ASN  51          HD22      ASN  51  -3.306  15.793  -2.750
  381   2HD2  ASN  51          HD21      ASN  51  -4.733  16.056  -1.867
  382    H    SER  52           HN       SER  52  -2.481  11.082  -0.045
  383    HA   SER  52           HA       SER  52  -3.609   9.587  -2.188
  384   1HB   SER  52           HB2      SER  52  -1.365   9.121  -2.028
  385   2HB   SER  52           HB1      SER  52  -1.370   9.186  -0.269
  386    HG   SER  52           HG       SER  52  -2.266   7.110  -1.972
  387    HA   PRO  53           HA       PRO  53  -6.787   7.471   0.105
  388   1HB   PRO  53           HB2      PRO  53  -7.102   5.608  -2.058
  389   2HB   PRO  53           HB1      PRO  53  -8.137   6.981  -1.643
  390   1HG   PRO  53           HG2      PRO  53  -6.336   6.756  -3.880
  391   2HG   PRO  53           HG1      PRO  53  -7.357   8.134  -3.447
  392   1HD   PRO  53           HD2      PRO  53  -4.488   7.905  -3.199
  393   2HD   PRO  53           HD1      PRO  53  -5.513   9.297  -2.798
  394    H    THR  54           HN       THR  54  -5.917   6.219   1.728
  395    HA   THR  54           HA       THR  54  -4.518   3.704   0.921
  396    HB   THR  54           HB       THR  54  -3.296   3.836   3.045
  397    HG1  THR  54           HG1      THR  54  -4.749   4.948   4.301
  398   1HG2  THR  54          HG23      THR  54  -2.528   5.005   0.915
  399   2HG2  THR  54          HG22      THR  54  -3.118   6.501   1.639
  400   3HG2  THR  54          HG21      THR  54  -1.818   5.596   2.416
  401    H    LYS  55           HN       LYS  55  -4.971   1.851   2.337
  402    HA   LYS  55           HA       LYS  55  -7.618   1.283   2.789
  403   1HB   LYS  55           HB2      LYS  55  -5.181   0.058   3.460
  404   2HB   LYS  55           HB1      LYS  55  -6.090   0.156   4.970
  405   1HG   LYS  55           HG2      LYS  55  -7.295  -0.862   2.388
  406   2HG   LYS  55           HG1      LYS  55  -6.544  -1.917   3.580
  407   1HD   LYS  55           HD2      LYS  55  -8.110  -1.015   5.307
  408   2HD   LYS  55           HD1      LYS  55  -8.918  -0.096   4.035
  409   1HE   LYS  55           HE2      LYS  55  -8.518  -3.013   3.574
  410   2HE   LYS  55           HE1      LYS  55  -9.747  -2.539   4.746
  411   1HZ   LYS  55           HZ1      LYS  55  -9.575  -1.425   2.000
  412   2HZ   LYS  55           HZ3      LYS  55 -10.555  -2.747   2.418
  413   3HZ   LYS  55           HZ2      LYS  55 -10.840  -1.226   3.120
  414    H    THR  56           HN       THR  56  -9.165   1.986   4.164
  415    HA   THR  56           HA       THR  56  -8.278   3.509   6.580
  416    HB   THR  56           HB       THR  56 -10.956   4.003   5.346
  417    HG1  THR  56           HG1      THR  56  -8.838   5.513   4.398
  418   1HG2  THR  56          HG22      THR  56  -9.031   5.317   7.146
  419   2HG2  THR  56          HG21      THR  56  -9.782   6.399   5.973
  420   3HG2  THR  56          HG23      THR  56 -10.787   5.460   7.075
  421    H    SER  57           HN       SER  57 -10.757   3.719   7.827
  422    HA   SER  57           HA       SER  57 -11.023   1.089   8.956
  423   1HB   SER  57           HB2      SER  57 -12.561   2.088  10.486
  424   2HB   SER  57           HB1      SER  57 -11.331   3.307  10.169
  425    HG   SER  57           HG       SER  57 -13.891   3.584   9.877
  426    H    GLY  58           HN       GLY  58 -11.674  -0.097   6.969
  427   1HA   GLY  58           HA2      GLY  58 -14.428  -0.681   6.858
  428   2HA   GLY  58           HA1      GLY  58 -14.119   0.500   5.584
  429    H    LYS  59           HN       LYS  59 -14.956  -2.071   4.914
  430    HA   LYS  59           HA       LYS  59 -12.563  -3.631   4.175
  431   1HB   LYS  59           HB2      LYS  59 -15.355  -4.179   4.549
  432   2HB   LYS  59           HB1      LYS  59 -14.904  -4.644   2.909
  433   1HG   LYS  59           HG2      LYS  59 -13.286  -6.175   3.650
  434   2HG   LYS  59           HG1      LYS  59 -13.163  -5.416   5.238
  435   1HD   LYS  59           HD2      LYS  59 -15.327  -6.249   5.892
  436   2HD   LYS  59           HD1      LYS  59 -15.666  -6.808   4.254
  437   1HE   LYS  59           HE2      LYS  59 -14.922  -8.808   5.070
  438   2HE   LYS  59           HE1      LYS  59 -13.335  -8.117   4.731
  439   1HZ   LYS  59           HZ3      LYS  59 -14.673  -7.642   7.319
  440   2HZ   LYS  59           HZ2      LYS  59 -13.779  -9.061   7.052
  441   3HZ   LYS  59           HZ1      LYS  59 -13.022  -7.544   6.941
  442    H    CYS  60           HN       CYS  60 -11.998  -4.057   1.961
  443    HA   CYS  60           HA       CYS  60 -12.247  -1.796   0.210
  444   1HB   CYS  60           HB2      CYS  60 -10.365  -3.484   0.193
  445   2HB   CYS  60           HB1      CYS  60 -11.474  -4.618  -0.579
  446    H    ASN  61           HN       ASN  61 -13.611  -1.449  -1.527
  447    HA   ASN  61           HA       ASN  61 -15.785  -3.464  -1.907
  448   1HB   ASN  61           HB2      ASN  61 -16.820  -1.537  -0.983
  449   2HB   ASN  61           HB1      ASN  61 -15.830  -0.443  -1.948
  450   1HD2  ASN  61          HD22      ASN  61 -18.872  -0.308  -3.885
  451   2HD2  ASN  61          HD21      ASN  61 -18.050   0.459  -2.612
  452    HA   PRO  62           HA       PRO  62 -14.079  -3.886  -5.975
  453   1HB   PRO  62           HB2      PRO  62 -16.681  -4.733  -6.940
  454   2HB   PRO  62           HB1      PRO  62 -15.231  -5.713  -6.679
  455   1HG   PRO  62           HG2      PRO  62 -17.613  -5.685  -5.080
  456   2HG   PRO  62           HG1      PRO  62 -16.126  -6.591  -4.775
  457   1HD   PRO  62           HD2      PRO  62 -17.117  -4.302  -3.335
  458   2HD   PRO  62           HD1      PRO  62 -15.622  -5.209  -3.041
  459    H    ALA  63           HN       ALA  63 -13.851  -1.636  -6.468
  460    HA   ALA  63           HA       ALA  63 -14.312   0.218  -7.853
  461   1HB   ALA  63           HB2      ALA  63 -15.859  -1.752  -8.978
  462   2HB   ALA  63           HB1      ALA  63 -17.077  -0.563  -8.516
  463   3HB   ALA  63           HB3      ALA  63 -15.752  -0.100  -9.585
   
  Start of MODEL           3
 Raw file had  463 H/Q atoms
  Start of MODEL    3
    1   1H    LYS   1           HT3      LYS   1   3.040  14.424   3.533
    2   2H    LYS   1           HT2      LYS   1   3.835  14.878   2.102
    3   3H    LYS   1           HT1      LYS   1   2.156  14.617   2.100
    4    HA   LYS   1           HA       LYS   1   2.585  12.561   1.408
    5   1HB   LYS   1           HB2      LYS   1   5.406  13.166   2.340
    6   2HB   LYS   1           HB1      LYS   1   4.944  11.622   1.624
    7   1HG   LYS   1           HG2      LYS   1   4.208  12.759  -0.418
    8   2HG   LYS   1           HG1      LYS   1   4.592  14.325   0.298
    9   1HD   LYS   1           HD2      LYS   1   6.625  12.114  -0.090
   10   2HD   LYS   1           HD1      LYS   1   6.385  13.435  -1.235
   11   1HE   LYS   1           HE2      LYS   1   6.659  14.374   1.524
   12   2HE   LYS   1           HE1      LYS   1   8.082  13.498   0.959
   13   1HZ   LYS   1           HZ2      LYS   1   6.838  15.511  -0.786
   14   2HZ   LYS   1           HZ1      LYS   1   7.840  16.023   0.488
   15   3HZ   LYS   1           HZ3      LYS   1   8.456  14.997  -0.714
   16    H    LYS   2           HN       LYS   2   3.086  10.326   2.404
   17    HA   LYS   2           HA       LYS   2   3.568  10.129   5.235
   18   1HB   LYS   2           HB2      LYS   2   1.099   9.222   5.605
   19   2HB   LYS   2           HB1      LYS   2   1.471  10.935   5.794
   20   1HG   LYS   2           HG2      LYS   2  -0.446  10.923   4.414
   21   2HG   LYS   2           HG1      LYS   2   0.883  11.137   3.277
   22   1HD   LYS   2           HD2      LYS   2   0.457   9.162   2.267
   23   2HD   LYS   2           HD1      LYS   2   0.343   8.317   3.812
   24   1HE   LYS   2           HE2      LYS   2  -1.965   9.160   4.101
   25   2HE   LYS   2           HE1      LYS   2  -1.850   9.993   2.551
   26   1HZ   LYS   2           HZ3      LYS   2  -1.381   7.793   1.532
   27   2HZ   LYS   2           HZ2      LYS   2  -1.730   7.068   3.029
   28   3HZ   LYS   2           HZ1      LYS   2  -2.937   7.925   2.196
   29    H    ASP   3           HN       ASP   3   3.759   7.939   5.881
   30    HA   ASP   3           HA       ASP   3   3.954   6.002   3.689
   31   1HB   ASP   3           HB2      ASP   3   4.108   5.205   6.566
   32   2HB   ASP   3           HB1      ASP   3   5.115   4.693   5.211
   33    H    GLY   4           HN       GLY   4   2.783   3.753   4.149
   34   1HA   GLY   4           HA2      GLY   4   0.663   3.281   5.795
   35   2HA   GLY   4           HA1      GLY   4  -0.042   4.424   4.660
   36    OH   TYR   5           OH       TYR   5   0.945  -2.419   7.798
   37    H    TYR   5           HN       TYR   5  -1.473   2.525   4.292
   38    HA   TYR   5           HA       TYR   5  -0.266   0.515   2.446
   39   1HB   TYR   5           HB2      TYR   5  -2.880   0.483   3.985
   40   2HB   TYR   5           HB1      TYR   5  -2.333  -0.780   2.898
   41    HD1  TYR   5           HD2      TYR   5  -1.748   0.865   6.139
   42    HD2  TYR   5           HD1      TYR   5  -0.533  -2.281   3.490
   43    HE1  TYR   5           HE2      TYR   5  -0.461  -0.192   7.979
   44    HE2  TYR   5           HE1      TYR   5   0.752  -3.343   5.325
   45    HH   TYR   5           HH       TYR   5   0.867  -1.857   8.572
   46    HA   PRO   6           HA       PRO   6  -2.392   3.330  -0.466
   47   1HB   PRO   6           HB2      PRO   6  -0.979   1.983  -2.562
   48   2HB   PRO   6           HB1      PRO   6  -0.687   3.606  -1.922
   49   1HG   PRO   6           HG2      PRO   6   0.916   1.227  -1.536
   50   2HG   PRO   6           HG1      PRO   6   1.238   2.865  -0.958
   51   1HD   PRO   6           HD2      PRO   6   0.414   0.598   0.598
   52   2HD   PRO   6           HD1      PRO   6   0.666   2.262   1.162
   53    H    VAL   7           HN       VAL   7  -4.251   2.905  -1.560
   54    HA   VAL   7           HA       VAL   7  -4.840   0.075  -2.348
   55    HB   VAL   7           HB       VAL   7  -7.211   0.531  -1.848
   56   1HG1  VAL   7          HG13      VAL   7  -5.691  -0.369  -0.081
   57   2HG1  VAL   7          HG12      VAL   7  -5.416   1.281   0.477
   58   3HG1  VAL   7          HG11      VAL   7  -7.026   0.572   0.578
   59   1HG2  VAL   7          HG23      VAL   7  -6.101   3.242  -1.109
   60   2HG2  VAL   7          HG22      VAL   7  -7.418   2.873  -2.221
   61   3HG2  VAL   7          HG21      VAL   7  -7.645   2.668  -0.484
   62    H    ASP   8           HN       ASP   8  -5.875  -0.161  -4.400
   63    HA   ASP   8           HA       ASP   8  -5.290   1.945  -6.281
   64   1HB   ASP   8           HB2      ASP   8  -6.292   0.521  -7.961
   65   2HB   ASP   8           HB1      ASP   8  -5.355  -0.496  -6.869
   66    H    SER   9           HN       SER   9  -7.575   1.989  -7.934
   67    HA   SER   9           HA       SER   9  -9.103   4.067  -6.629
   68   1HB   SER   9           HB2      SER   9 -10.529   3.873  -8.732
   69   2HB   SER   9           HB1      SER   9  -8.823   4.224  -8.999
   70    HG   SER   9           HG       SER   9 -10.143   1.716  -9.187
   71    H    GLY  10           HN       GLY  10  -9.279   0.757  -6.275
   72   1HA   GLY  10           HA2      GLY  10 -12.232   0.825  -5.850
   73   2HA   GLY  10           HA1      GLY  10 -11.291  -0.648  -6.084
   74    H    ASN  11           HN       ASN  11  -9.455   1.294  -4.137
   75    HA   ASN  11           HA       ASN  11  -9.128   1.410  -1.816
   76   1HB   ASN  11           HB2      ASN  11 -11.899   1.371  -2.051
   77   2HB   ASN  11           HB1      ASN  11 -11.561   0.000  -0.996
   78   1HD2  ASN  11          HD22      ASN  11 -10.981   2.074   1.767
   79   2HD2  ASN  11          HD21      ASN  11 -11.446   0.558   1.162
   80    H    CYS  12           HN       CYS  12  -8.372  -0.727  -3.515
   81    HA   CYS  12           HA       CYS  12  -8.511  -3.093  -1.709
   82   1HB   CYS  12           HB2      CYS  12  -8.352  -2.744  -4.640
   83   2HB   CYS  12           HB1      CYS  12  -7.294  -3.993  -3.987
   84    H    LYS  13           HN       LYS  13  -6.818  -3.037  -0.334
   85    HA   LYS  13           HA       LYS  13  -4.417  -1.575  -0.756
   86   1HB   LYS  13           HB2      LYS  13  -5.533  -2.712   1.389
   87   2HB   LYS  13           HB1      LYS  13  -4.361  -3.974   1.005
   88   1HG   LYS  13           HG2      LYS  13  -3.617  -1.052   1.192
   89   2HG   LYS  13           HG1      LYS  13  -3.535  -2.149   2.570
   90   1HD   LYS  13           HD2      LYS  13  -1.534  -2.889   1.863
   91   2HD   LYS  13           HD1      LYS  13  -2.269  -3.435   0.356
   92   1HE   LYS  13           HE2      LYS  13  -1.588  -1.574  -0.801
   93   2HE   LYS  13           HE1      LYS  13  -1.760  -0.518   0.596
   94   1HZ   LYS  13           HZ3      LYS  13   0.344  -2.573   0.558
   95   2HZ   LYS  13           HZ2      LYS  13   0.581  -1.107  -0.267
   96   3HZ   LYS  13           HZ1      LYS  13   0.296  -1.106   1.408
   97    OH   TYR  14           OH       TYR  14  -3.499   0.972  -6.751
   98    H    TYR  14           HN       TYR  14  -2.769  -2.026  -2.124
   99    HA   TYR  14           HA       TYR  14  -2.560  -4.425  -3.645
  100   1HB   TYR  14           HB2      TYR  14  -0.281  -2.564  -2.902
  101   2HB   TYR  14           HB1      TYR  14  -0.348  -3.654  -4.284
  102    HD1  TYR  14           HD1      TYR  14  -2.168  -3.319  -6.016
  103    HD2  TYR  14           HD2      TYR  14  -1.205  -0.366  -3.050
  104    HE1  TYR  14           HE1      TYR  14  -3.286  -1.584  -7.380
  105    HE2  TYR  14           HE2      TYR  14  -2.326   1.372  -4.417
  106    HH   TYR  14           HH       TYR  14  -3.857   0.545  -7.533
  107    H    GLU  15           HN       GLU  15  -2.095  -6.423  -2.864
  108    HA   GLU  15           HA       GLU  15  -0.780  -6.733  -0.257
  109   1HB   GLU  15           HB2      GLU  15  -2.612  -8.236  -1.654
  110   2HB   GLU  15           HB1      GLU  15  -1.119  -9.143  -1.901
  111   1HG   GLU  15           HG2      GLU  15  -0.837  -8.675   0.711
  112   2HG   GLU  15           HG1      GLU  15  -2.596  -8.576   0.635
  113    H    CYS  16           HN       CYS  16   0.891  -8.847  -0.458
  114    HA   CYS  16           HA       CYS  16   2.700  -8.515  -2.746
  115   1HB   CYS  16           HB2      CYS  16   4.624  -8.069  -0.994
  116   2HB   CYS  16           HB1      CYS  16   3.685  -6.741  -1.660
  117    H    LEU  17           HN       LEU  17   4.733  -9.859  -2.401
  118    HA   LEU  17           HA       LEU  17   4.092 -12.314  -0.815
  119   1HB   LEU  17           HB2      LEU  17   5.669 -12.173  -3.403
  120   2HB   LEU  17           HB1      LEU  17   5.148 -13.631  -2.558
  121    HG   LEU  17           HG       LEU  17   3.036 -11.666  -3.308
  122   1HD1  LEU  17          HD11      LEU  17   4.904 -12.715  -5.224
  123   2HD1  LEU  17          HD13      LEU  17   3.330 -13.464  -5.490
  124   3HD1  LEU  17          HD12      LEU  17   3.486 -11.708  -5.512
  125   1HD2  LEU  17          HD21      LEU  17   3.026 -14.134  -2.177
  126   2HD2  LEU  17          HD23      LEU  17   1.679 -13.504  -3.124
  127   3HD2  LEU  17          HD22      LEU  17   2.859 -14.577  -3.876
  128    H    LYS  18           HN       LYS  18   6.762 -10.474  -2.326
  129    HA   LYS  18           HA       LYS  18   8.500 -11.311  -0.040
  130   1HB   LYS  18           HB2      LYS  18   8.951 -11.177  -2.918
  131   2HB   LYS  18           HB1      LYS  18  10.146 -10.231  -2.030
  132   1HG   LYS  18           HG2      LYS  18  10.751 -12.133  -0.673
  133   2HG   LYS  18           HG1      LYS  18   9.418 -13.086  -1.326
  134   1HD   LYS  18           HD2      LYS  18  11.480 -11.939  -3.189
  135   2HD   LYS  18           HD1      LYS  18  11.826 -13.426  -2.303
  136   1HE   LYS  18           HE2      LYS  18   9.159 -13.380  -3.541
  137   2HE   LYS  18           HE1      LYS  18  10.484 -13.312  -4.702
  138   1HZ   LYS  18           HZ1      LYS  18  11.211 -15.179  -2.801
  139   2HZ   LYS  18           HZ3      LYS  18   9.584 -15.502  -3.156
  140   3HZ   LYS  18           HZ2      LYS  18  10.736 -15.477  -4.405
  141    H    ASP  19           HN       ASP  19  10.382  -9.479   0.113
  142    HA   ASP  19           HA       ASP  19   8.976  -7.066   0.949
  143   1HB   ASP  19           HB2      ASP  19  11.230  -8.256   1.828
  144   2HB   ASP  19           HB1      ASP  19  11.947  -7.069   0.739
  145    H    ASP  20           HN       ASP  20  11.021  -8.007  -1.771
  146    HA   ASP  20           HA       ASP  20  11.512  -5.395  -2.793
  147   1HB   ASP  20           HB2      ASP  20  12.582  -6.520  -4.453
  148   2HB   ASP  20           HB1      ASP  20  12.324  -7.923  -3.431
  149    OH   TYR  21           OH       TYR  21   1.243  -5.724  -5.856
  150    H    TYR  21           HN       TYR  21   8.859  -7.713  -3.485
  151    HA   TYR  21           HA       TYR  21   7.586  -6.305  -5.538
  152   1HB   TYR  21           HB2      TYR  21   6.671  -8.421  -4.857
  153   2HB   TYR  21           HB1      TYR  21   6.372  -7.833  -3.221
  154    HD1  TYR  21           HD1      TYR  21   4.727  -5.874  -2.924
  155    HD2  TYR  21           HD2      TYR  21   5.024  -8.166  -6.547
  156    HE1  TYR  21           HE1      TYR  21   2.484  -5.078  -3.615
  157    HE2  TYR  21           HE2      TYR  21   2.784  -7.365  -7.237
  158    HH   TYR  21           HH       TYR  21   1.302  -5.436  -6.770
  159    H    CYS  22           HN       CYS  22   7.604  -5.578  -2.073
  160    HA   CYS  22           HA       CYS  22   5.614  -3.456  -2.337
  161   1HB   CYS  22           HB2      CYS  22   7.453  -4.329  -0.115
  162   2HB   CYS  22           HB1      CYS  22   6.468  -2.877   0.019
  163    H    ASN  23           HN       ASN  23   9.141  -3.551  -1.902
  164    HA   ASN  23           HA       ASN  23   9.584  -0.753  -1.738
  165   1HB   ASN  23           HB2      ASN  23  11.186  -2.799  -1.492
  166   2HB   ASN  23           HB1      ASN  23  11.418  -2.638  -3.221
  167   1HD2  ASN  23          HD22      ASN  23  14.029  -0.388  -2.298
  168   2HD2  ASN  23          HD21      ASN  23  13.677  -1.946  -2.872
  169    H    ASP  24           HN       ASP  24   9.536  -2.883  -4.565
  170    HA   ASP  24           HA       ASP  24   9.976  -0.833  -6.524
  171   1HB   ASP  24           HB2      ASP  24  10.087  -3.424  -6.761
  172   2HB   ASP  24           HB1      ASP  24   8.351  -3.319  -7.033
  173    H    LEU  25           HN       LEU  25   6.935  -2.628  -5.927
  174    HA   LEU  25           HA       LEU  25   5.173  -0.946  -7.264
  175   1HB   LEU  25           HB2      LEU  25   4.373  -3.009  -6.280
  176   2HB   LEU  25           HB1      LEU  25   4.780  -2.451  -4.658
  177    HG   LEU  25           HG       LEU  25   3.130  -0.448  -5.391
  178   1HD1  LEU  25          HD11      LEU  25   2.873  -2.134  -7.548
  179   2HD1  LEU  25          HD13      LEU  25   1.524  -2.634  -6.527
  180   3HD1  LEU  25          HD12      LEU  25   1.662  -0.954  -7.045
  181   1HD2  LEU  25          HD21      LEU  25   2.991  -2.789  -3.766
  182   2HD2  LEU  25          HD23      LEU  25   2.060  -1.300  -3.598
  183   3HD2  LEU  25          HD22      LEU  25   1.438  -2.622  -4.585
  184    H    CYS  26           HN       CYS  26   6.843  -0.404  -4.266
  185    HA   CYS  26           HA       CYS  26   5.239   1.777  -3.351
  186   1HB   CYS  26           HB2      CYS  26   7.826   0.490  -2.632
  187   2HB   CYS  26           HB1      CYS  26   7.554   2.108  -2.036
  188    H    LEU  27           HN       LEU  27   8.339   1.529  -5.086
  189    HA   LEU  27           HA       LEU  27   8.952   4.261  -5.269
  190   1HB   LEU  27           HB2      LEU  27   9.430   1.982  -7.210
  191   2HB   LEU  27           HB1      LEU  27  10.085   3.599  -7.458
  192    HG   LEU  27           HG       LEU  27  10.704   1.652  -5.232
  193   1HD1  LEU  27          HD11      LEU  27  12.391   3.212  -7.215
  194   2HD1  LEU  27          HD13      LEU  27  13.032   2.144  -5.965
  195   3HD1  LEU  27          HD12      LEU  27  12.050   1.483  -7.272
  196   1HD2  LEU  27          HD22      LEU  27  11.023   4.648  -5.324
  197   2HD2  LEU  27          HD21      LEU  27  10.461   3.636  -3.993
  198   3HD2  LEU  27          HD23      LEU  27  12.172   3.657  -4.424
  199    H    GLU  28           HN       GLU  28   6.816   2.233  -7.232
  200    HA   GLU  28           HA       GLU  28   6.166   4.216  -9.162
  201   1HB   GLU  28           HB2      GLU  28   4.542   1.847  -8.215
  202   2HB   GLU  28           HB1      GLU  28   4.221   2.775  -9.681
  203   1HG   GLU  28           HG2      GLU  28   6.863   1.394  -9.141
  204   2HG   GLU  28           HG1      GLU  28   5.548   0.646 -10.048
  205    NH1  ARG  29           NH2      ARG  29  -0.927   2.931  -5.351
  206    NH2  ARG  29           NH1      ARG  29  -0.838   2.369  -7.538
  207    H    ARG  29           HN       ARG  29   4.811   3.370  -6.057
  208    HA   ARG  29           HA       ARG  29   2.552   5.128  -6.229
  209   1HB   ARG  29           HB2      ARG  29   3.741   3.360  -4.238
  210   2HB   ARG  29           HB1      ARG  29   3.094   4.839  -3.523
  211   1HG   ARG  29           HG2      ARG  29   1.106   3.735  -3.592
  212   2HG   ARG  29           HG1      ARG  29   1.114   4.195  -5.295
  213   1HD   ARG  29           HD2      ARG  29   2.723   1.886  -5.097
  214   2HD   ARG  29           HD1      ARG  29   1.284   1.557  -4.135
  215    HE   ARG  29           HE       ARG  29   1.386   1.516  -6.960
  216   1HH1  ARG  29          HH21      ARG  29  -0.517   2.945  -4.442
  217   2HH1  ARG  29          HH22      ARG  29  -1.849   3.293  -5.487
  218   1HH2  ARG  29          HH11      ARG  29  -0.353   1.954  -8.307
  219   2HH2  ARG  29          HH12      ARG  29  -1.761   2.732  -7.665
  220    H    LYS  30           HN       LYS  30   5.789   5.819  -6.075
  221    HA   LYS  30           HA       LYS  30   6.836   7.922  -5.898
  222   1HB   LYS  30           HB2      LYS  30   4.592   8.956  -6.384
  223   2HB   LYS  30           HB1      LYS  30   4.268   8.936  -4.650
  224   1HG   LYS  30           HG2      LYS  30   6.889  10.057  -5.269
  225   2HG   LYS  30           HG1      LYS  30   5.574  10.964  -6.017
  226   1HD   LYS  30           HD2      LYS  30   4.875  10.230  -3.298
  227   2HD   LYS  30           HD1      LYS  30   6.408  11.103  -3.325
  228   1HE   LYS  30           HE2      LYS  30   3.877  12.038  -4.712
  229   2HE   LYS  30           HE1      LYS  30   4.434  12.626  -3.144
  230   1HZ   LYS  30           HZ2      LYS  30   6.333  12.676  -5.364
  231   2HZ   LYS  30           HZ1      LYS  30   5.078  13.821  -5.386
  232   3HZ   LYS  30           HZ3      LYS  30   6.148  13.762  -4.071
  233    H    ALA  31           HN       ALA  31   6.602   5.758  -3.794
  234    HA   ALA  31           HA       ALA  31   7.048   7.457  -1.386
  235   1HB   ALA  31           HB1      ALA  31   5.654   5.068  -1.695
  236   2HB   ALA  31           HB3      ALA  31   7.173   4.586  -0.939
  237   3HB   ALA  31           HB2      ALA  31   6.149   5.797  -0.167
  238    H    ASP  32           HN       ASP  32   8.995   7.348  -0.284
  239    HA   ASP  32           HA       ASP  32  11.378   7.006  -1.679
  240   1HB   ASP  32           HB2      ASP  32  10.849   8.037   0.671
  241   2HB   ASP  32           HB1      ASP  32  11.204   6.421   1.255
  242    H    LYS  33           HN       LYS  33   9.714   4.777   0.522
  243    HA   LYS  33           HA       LYS  33  10.697   2.475  -1.007
  244   1HB   LYS  33           HB2      LYS  33  12.166   1.512   0.560
  245   2HB   LYS  33           HB1      LYS  33  12.627   3.212   0.544
  246   1HG   LYS  33           HG2      LYS  33  10.532   2.881   2.473
  247   2HG   LYS  33           HG1      LYS  33  11.756   1.647   2.769
  248   1HD   LYS  33           HD2      LYS  33  13.330   3.816   2.303
  249   2HD   LYS  33           HD1      LYS  33  11.926   4.585   3.043
  250   1HE   LYS  33           HE2      LYS  33  13.413   3.996   4.836
  251   2HE   LYS  33           HE1      LYS  33  12.076   2.847   4.886
  252   1HZ   LYS  33           HZ1      LYS  33  13.615   1.468   3.348
  253   2HZ   LYS  33           HZ3      LYS  33  14.848   2.434   3.999
  254   3HZ   LYS  33           HZ2      LYS  33  13.892   1.475   5.025
  255    H    GLY  34           HN       GLY  34  10.258   0.390   0.628
  256   1HA   GLY  34           HA2      GLY  34   8.158   0.544   2.501
  257   2HA   GLY  34           HA1      GLY  34   7.408   0.361   0.925
  258    OH   TYR  35           OH       TYR  35   6.534  -1.152   8.360
  259    H    TYR  35           HN       TYR  35   7.542  -1.516   3.239
  260    HA   TYR  35           HA       TYR  35   8.863  -3.800   1.822
  261   1HB   TYR  35           HB2      TYR  35   8.923  -4.866   4.133
  262   2HB   TYR  35           HB1      TYR  35  10.021  -3.517   3.893
  263    HD1  TYR  35           HD1      TYR  35   6.575  -4.318   5.091
  264    HD2  TYR  35           HD2      TYR  35   9.965  -1.698   5.401
  265    HE1  TYR  35           HE1      TYR  35   5.510  -3.171   7.009
  266    HE2  TYR  35           HE2      TYR  35   8.894  -0.545   7.321
  267    HH   TYR  35           HH       TYR  35   7.227  -0.810   8.928
  268    H    CYS  36           HN       CYS  36   7.744  -5.913   2.992
  269    HA   CYS  36           HA       CYS  36   4.851  -5.561   2.377
  270   1HB   CYS  36           HB2      CYS  36   6.142  -7.143   0.991
  271   2HB   CYS  36           HB1      CYS  36   6.539  -8.072   2.433
  272    OH   TYR  37           OH       TYR  37   1.808  -5.817  12.203
  273    H    TYR  37           HN       TYR  37   3.783  -5.182   4.249
  274    HA   TYR  37           HA       TYR  37   4.573  -6.439   6.766
  275   1HB   TYR  37           HB2      TYR  37   3.472  -4.153   6.541
  276   2HB   TYR  37           HB1      TYR  37   1.982  -4.994   6.124
  277    HD1  TYR  37           HD2      TYR  37   4.575  -6.064   8.586
  278    HD2  TYR  37           HD1      TYR  37   0.609  -4.529   7.998
  279    HE1  TYR  37           HE2      TYR  37   4.093  -6.387  10.997
  280    HE2  TYR  37           HE1      TYR  37   0.125  -4.848  10.408
  281    HH   TYR  37           HH       TYR  37   2.534  -5.441  12.704
  282    CH2  TRP  38           CH2      TRP  38   1.526 -14.704   2.495
  283    H    TRP  38           HN       TRP  38   4.402  -8.682   6.404
  284    HA   TRP  38           HA       TRP  38   2.091  -9.878   5.152
  285   1HB   TRP  38           HB2      TRP  38   4.654 -10.734   6.202
  286   2HB   TRP  38           HB1      TRP  38   3.393 -11.856   6.687
  287    HD1  TRP  38           HD1      TRP  38   5.111 -10.410   3.622
  288    HE1  TRP  38           HE1      TRP  38   4.504 -11.835   1.562
  289    HE3  TRP  38           HE3      TRP  38   1.571 -13.468   5.675
  290    HZ2  TRP  38           HZ2      TRP  38   2.748 -13.988   0.874
  291    HZ3  TRP  38           HZ3      TRP  38   0.449 -15.194   4.294
  292    HH2  TRP  38           HH2      TRP  38   1.032 -15.459   1.899
  293    H    GLY  39           HN       GLY  39   2.088 -11.977   7.553
  294   1HA   GLY  39           HA2      GLY  39   0.786 -12.293   9.479
  295   2HA   GLY  39           HA1      GLY  39   0.789 -10.539   9.697
  296    H    LYS  40           HN       LYS  40  -0.166 -11.736   6.619
  297    HA   LYS  40           HA       LYS  40  -2.285 -11.989   5.610
  298   1HB   LYS  40           HB2      LYS  40  -2.879 -12.977   7.949
  299   2HB   LYS  40           HB1      LYS  40  -3.598 -11.396   8.257
  300   1HG   LYS  40           HG2      LYS  40  -5.197 -11.647   6.558
  301   2HG   LYS  40           HG1      LYS  40  -4.263 -12.898   5.735
  302   1HD   LYS  40           HD2      LYS  40  -5.320 -14.507   6.896
  303   2HD   LYS  40           HD1      LYS  40  -4.842 -13.757   8.420
  304   1HE   LYS  40           HE2      LYS  40  -7.224 -12.902   6.749
  305   2HE   LYS  40           HE1      LYS  40  -7.318 -13.921   8.184
  306   1HZ   LYS  40           HZ3      LYS  40  -6.005 -11.277   8.264
  307   2HZ   LYS  40           HZ2      LYS  40  -7.684 -11.432   8.471
  308   3HZ   LYS  40           HZ1      LYS  40  -6.618 -12.195   9.552
  309    H    VAL  41           HN       VAL  41  -0.769  -9.439   6.138
  310    HA   VAL  41           HA       VAL  41  -3.064  -7.535   6.115
  311    HB   VAL  41           HB       VAL  41  -0.123  -6.955   6.532
  312   1HG1  VAL  41          HG12      VAL  41  -2.509  -5.308   6.091
  313   2HG1  VAL  41          HG11      VAL  41  -1.627  -4.878   7.557
  314   3HG1  VAL  41          HG13      VAL  41  -0.805  -4.863   5.996
  315   1HG2  VAL  41          HG22      VAL  41  -2.273  -7.836   8.320
  316   2HG2  VAL  41          HG21      VAL  41  -0.533  -7.787   8.600
  317   3HG2  VAL  41          HG23      VAL  41  -1.508  -6.338   8.849
  318    H    SER  42           HN       SER  42  -0.177  -6.223   4.810
  319    HA   SER  42           HA       SER  42  -0.525  -7.045   2.044
  320   1HB   SER  42           HB2      SER  42  -1.700  -4.387   2.913
  321   2HB   SER  42           HB1      SER  42  -1.413  -4.838   1.236
  322    HG   SER  42           HG       SER  42  -3.428  -5.532   2.911
  323    H    CYS  43           HN       CYS  43   0.350  -4.775   0.755
  324    HA   CYS  43           HA       CYS  43   3.152  -4.702   1.406
  325   1HB   CYS  43           HB2      CYS  43   1.388  -3.701  -0.675
  326   2HB   CYS  43           HB1      CYS  43   2.539  -2.462  -0.201
  327    OH   TYR  44           OH       TYR  44   2.635   2.957   7.938
  328    H    TYR  44           HN       TYR  44   4.268  -2.466   1.654
  329    HA   TYR  44           HA       TYR  44   2.659  -0.469   3.111
  330   1HB   TYR  44           HB2      TYR  44   3.600  -2.227   4.788
  331   2HB   TYR  44           HB1      TYR  44   5.155  -1.451   4.478
  332    HD1  TYR  44           HD2      TYR  44   1.606  -0.593   5.283
  333    HD2  TYR  44           HD1      TYR  44   5.737   0.483   5.707
  334    HE1  TYR  44           HE2      TYR  44   0.964   1.257   6.789
  335    HE2  TYR  44           HE1      TYR  44   5.103   2.338   7.208
  336    HH   TYR  44           HH       TYR  44   2.874   2.708   8.834
  337    H    CYS  45           HN       CYS  45   3.268   1.440   2.237
  338    HA   CYS  45           HA       CYS  45   6.037   1.655   1.156
  339   1HB   CYS  45           HB2      CYS  45   3.525   3.211   0.527
  340   2HB   CYS  45           HB1      CYS  45   5.111   3.644  -0.089
  341    OH   TYR  46           OH       TYR  46   7.279   0.844   7.476
  342    H    TYR  46           HN       TYR  46   6.745   4.040   1.136
  343    HA   TYR  46           HA       TYR  46   6.056   5.533   3.594
  344   1HB   TYR  46           HB2      TYR  46   8.824   4.557   2.867
  345   2HB   TYR  46           HB1      TYR  46   8.516   5.788   4.084
  346    HD1  TYR  46           HD1      TYR  46   8.198   2.220   3.235
  347    HD2  TYR  46           HD2      TYR  46   7.519   5.204   6.230
  348    HE1  TYR  46           HE1      TYR  46   7.843   0.441   4.925
  349    HE2  TYR  46           HE2      TYR  46   7.155   3.438   7.921
  350    HH   TYR  46           HH       TYR  46   7.216   1.266   8.336
  351    H    GLY  47           HN       GLY  47   5.350   7.276   2.351
  352   1HA   GLY  47           HA2      GLY  47   6.417   9.429   1.451
  353   2HA   GLY  47           HA1      GLY  47   7.256   8.369   0.320
  354    H    LEU  48           HN       LEU  48   3.924   7.966   1.391
  355    HA   LEU  48           HA       LEU  48   3.042   7.908  -1.402
  356   1HB   LEU  48           HB2      LEU  48   1.569   7.548   1.224
  357   2HB   LEU  48           HB1      LEU  48   0.811   7.387  -0.360
  358    HG   LEU  48           HG       LEU  48   3.294   5.817   0.333
  359   1HD1  LEU  48          HD12      LEU  48   1.058   5.586   1.857
  360   2HD1  LEU  48          HD11      LEU  48   0.657   4.479   0.544
  361   3HD1  LEU  48          HD13      LEU  48   2.125   4.231   1.488
  362   1HD2  LEU  48          HD22      LEU  48   2.364   6.078  -2.043
  363   2HD2  LEU  48          HD21      LEU  48   2.591   4.423  -1.477
  364   3HD2  LEU  48          HD23      LEU  48   0.979   5.136  -1.493
  365    HA   PRO  49           HA       PRO  49   1.575  11.982  -1.880
  366   1HB   PRO  49           HB2      PRO  49  -1.076  11.227  -2.747
  367   2HB   PRO  49           HB1      PRO  49   0.285  11.782  -3.731
  368   1HG   PRO  49           HG2      PRO  49  -0.766   9.118  -3.583
  369   2HG   PRO  49           HG1      PRO  49   0.657   9.658  -4.483
  370   1HD   PRO  49           HD2      PRO  49   0.574   8.068  -2.065
  371   2HD   PRO  49           HD1      PRO  49   1.996   8.553  -3.009
  372    H    ASP  50           HN       ASP  50   0.297  13.549  -0.818
  373    HA   ASP  50           HA       ASP  50  -0.575  13.084   1.775
  374   1HB   ASP  50           HB2      ASP  50  -0.716  15.233  -0.152
  375   2HB   ASP  50           HB1      ASP  50  -2.156  15.173   0.857
  376    H    ASN  51           HN       ASN  51  -2.803  13.754  -0.884
  377    HA   ASN  51           HA       ASN  51  -5.019  12.629   0.534
  378   1HB   ASN  51           HB2      ASN  51  -6.244  13.139  -1.537
  379   2HB   ASN  51           HB1      ASN  51  -5.286  14.511  -1.008
  380   1HD2  ASN  51          HD22      ASN  51  -4.560  14.158  -4.608
  381   2HD2  ASN  51          HD21      ASN  51  -5.877  14.624  -3.644
  382    H    SER  52           HN       SER  52  -2.514  11.056  -0.805
  383    HA   SER  52           HA       SER  52  -3.443   9.170  -2.626
  384   1HB   SER  52           HB2      SER  52  -1.111   9.377  -1.571
  385   2HB   SER  52           HB1      SER  52  -1.742   8.394  -0.253
  386    HG   SER  52           HG       SER  52  -2.473   6.996  -2.141
  387    HA   PRO  53           HA       PRO  53  -6.851   7.544  -0.153
  388   1HB   PRO  53           HB2      PRO  53  -7.459   5.751  -2.311
  389   2HB   PRO  53           HB1      PRO  53  -8.314   7.233  -1.862
  390   1HG   PRO  53           HG2      PRO  53  -6.608   6.803  -4.155
  391   2HG   PRO  53           HG1      PRO  53  -7.492   8.271  -3.716
  392   1HD   PRO  53           HD2      PRO  53  -4.652   7.807  -3.551
  393   2HD   PRO  53           HD1      PRO  53  -5.544   9.274  -3.099
  394    H    THR  54           HN       THR  54  -6.678   5.839   1.275
  395    HA   THR  54           HA       THR  54  -5.076   3.464   0.430
  396    HB   THR  54           HB       THR  54  -4.026   3.395   2.618
  397    HG1  THR  54           HG1      THR  54  -4.485   5.096   4.093
  398   1HG2  THR  54          HG23      THR  54  -3.897   5.802   0.909
  399   2HG2  THR  54          HG22      THR  54  -3.194   5.984   2.518
  400   3HG2  THR  54          HG21      THR  54  -2.605   4.722   1.437
  401    H    LYS  55           HN       LYS  55  -5.413   1.713   2.318
  402    HA   LYS  55           HA       LYS  55  -7.968   0.667   2.119
  403   1HB   LYS  55           HB2      LYS  55  -5.650   0.236   3.841
  404   2HB   LYS  55           HB1      LYS  55  -7.172  -0.171   4.633
  405   1HG   LYS  55           HG2      LYS  55  -6.462  -1.138   1.852
  406   2HG   LYS  55           HG1      LYS  55  -6.099  -2.063   3.309
  407   1HD   LYS  55           HD2      LYS  55  -8.542  -1.913   3.917
  408   2HD   LYS  55           HD1      LYS  55  -8.832  -1.202   2.330
  409   1HE   LYS  55           HE2      LYS  55  -7.396  -3.378   1.600
  410   2HE   LYS  55           HE1      LYS  55  -8.171  -4.003   3.055
  411   1HZ   LYS  55           HZ1      LYS  55  -9.849  -2.512   1.188
  412   2HZ   LYS  55           HZ3      LYS  55  -9.342  -4.055   0.699
  413   3HZ   LYS  55           HZ2      LYS  55 -10.221  -3.872   2.139
  414    H    THR  56           HN       THR  56  -9.907   0.946   3.135
  415    HA   THR  56           HA       THR  56 -10.107   3.175   5.100
  416    HB   THR  56           HB       THR  56 -12.117   1.853   3.272
  417    HG1  THR  56           HG1      THR  56 -12.301   4.126   2.658
  418   1HG2  THR  56          HG21      THR  56 -12.512   3.377   5.776
  419   2HG2  THR  56          HG23      THR  56 -13.474   3.921   4.401
  420   3HG2  THR  56          HG22      THR  56 -13.595   2.252   4.957
  421    H    SER  57           HN       SER  57 -12.490   0.673   4.774
  422    HA   SER  57           HA       SER  57 -11.861  -0.213   7.515
  423   1HB   SER  57           HB2      SER  57 -14.387  -1.109   7.163
  424   2HB   SER  57           HB1      SER  57 -14.021   0.487   7.810
  425    HG   SER  57           HG       SER  57 -15.003  -0.269   5.332
  426    H    GLY  58           HN       GLY  58 -10.449  -1.288   5.376
  427   1HA   GLY  58           HA2      GLY  58  -9.783  -3.376   4.541
  428   2HA   GLY  58           HA1      GLY  58 -10.836  -4.097   5.759
  429    H    LYS  59           HN       LYS  59 -12.561  -1.928   3.813
  430    HA   LYS  59           HA       LYS  59 -13.809  -4.221   2.404
  431   1HB   LYS  59           HB2      LYS  59 -15.694  -2.790   2.048
  432   2HB   LYS  59           HB1      LYS  59 -15.168  -2.503   3.707
  433   1HG   LYS  59           HG2      LYS  59 -13.883  -0.527   2.946
  434   2HG   LYS  59           HG1      LYS  59 -14.458  -0.800   1.301
  435   1HD   LYS  59           HD2      LYS  59 -16.694  -0.294   1.872
  436   2HD   LYS  59           HD1      LYS  59 -16.388  -0.489   3.598
  437   1HE   LYS  59           HE2      LYS  59 -16.450   1.847   3.323
  438   2HE   LYS  59           HE1      LYS  59 -14.725   1.482   3.306
  439   1HZ   LYS  59           HZ2      LYS  59 -15.948   1.284   0.718
  440   2HZ   LYS  59           HZ1      LYS  59 -16.070   2.842   1.385
  441   3HZ   LYS  59           HZ3      LYS  59 -14.547   2.121   1.195
  442    H    CYS  60           HN       CYS  60 -14.285  -4.036   0.093
  443    HA   CYS  60           HA       CYS  60 -12.966  -1.962  -1.485
  444   1HB   CYS  60           HB2      CYS  60 -11.053  -3.445  -0.922
  445   2HB   CYS  60           HB1      CYS  60 -11.922  -4.810  -1.623
  446    H    ASN  61           HN       ASN  61 -15.129  -1.764  -2.307
  447    HA   ASN  61           HA       ASN  61 -16.123  -4.081  -3.886
  448   1HB   ASN  61           HB2      ASN  61 -18.177  -2.347  -3.917
  449   2HB   ASN  61           HB1      ASN  61 -17.952  -3.511  -2.619
  450   1HD2  ASN  61          HD22      ASN  61 -17.813  -0.895  -0.274
  451   2HD2  ASN  61          HD21      ASN  61 -18.348  -2.458  -0.663
  452    HA   PRO  62           HA       PRO  62 -15.448  -2.072  -7.716
  453   1HB   PRO  62           HB2      PRO  62 -18.025  -2.550  -8.841
  454   2HB   PRO  62           HB1      PRO  62 -16.576  -3.545  -9.033
  455   1HG   PRO  62           HG2      PRO  62 -18.960  -4.127  -7.474
  456   2HG   PRO  62           HG1      PRO  62 -17.567  -5.172  -7.777
  457   1HD   PRO  62           HD2      PRO  62 -18.238  -3.827  -5.331
  458   2HD   PRO  62           HD1      PRO  62 -16.797  -4.812  -5.662
  459    H    ALA  63           HN       ALA  63 -16.678  -0.440  -9.302
  460    HA   ALA  63           HA       ALA  63 -18.816   1.167  -8.580
  461   1HB   ALA  63           HB2      ALA  63 -16.349   1.791  -7.004
  462   2HB   ALA  63           HB1      ALA  63 -17.361   3.132  -7.541
  463   3HB   ALA  63           HB3      ALA  63 -18.041   1.870  -6.513
   
  Start of MODEL           4
 Raw file had  463 H/Q atoms
  Start of MODEL    4
    1   1H    LYS   1           HT3      LYS   1   3.351  13.667   3.643
    2   2H    LYS   1           HT2      LYS   1   4.169  14.264   2.279
    3   3H    LYS   1           HT1      LYS   1   2.617  13.591   2.115
    4    HA   LYS   1           HA       LYS   1   3.592  11.682   1.612
    5   1HB   LYS   1           HB2      LYS   1   6.040  11.368   1.875
    6   2HB   LYS   1           HB1      LYS   1   5.661  12.895   1.076
    7   1HG   LYS   1           HG2      LYS   1   5.775  13.978   3.385
    8   2HG   LYS   1           HG1      LYS   1   6.473  12.463   3.958
    9   1HD   LYS   1           HD2      LYS   1   8.367  13.751   3.417
   10   2HD   LYS   1           HD1      LYS   1   8.144  12.741   1.988
   11   1HE   LYS   1           HE2      LYS   1   8.505  14.997   1.222
   12   2HE   LYS   1           HE1      LYS   1   6.800  14.622   0.973
   13   1HZ   LYS   1           HZ3      LYS   1   7.592  15.820   3.523
   14   2HZ   LYS   1           HZ2      LYS   1   7.552  16.822   2.151
   15   3HZ   LYS   1           HZ1      LYS   1   6.152  15.997   2.644
   16    H    LYS   2           HN       LYS   2   3.796   9.659   2.696
   17    HA   LYS   2           HA       LYS   2   4.572   9.464   5.470
   18   1HB   LYS   2           HB2      LYS   2   2.237   8.810   6.271
   19   2HB   LYS   2           HB1      LYS   2   2.499  10.531   5.986
   20   1HG   LYS   2           HG2      LYS   2   0.456  10.117   4.893
   21   2HG   LYS   2           HG1      LYS   2   1.635  10.035   3.583
   22   1HD   LYS   2           HD2      LYS   2   1.373   7.779   3.306
   23   2HD   LYS   2           HD1      LYS   2   1.134   7.493   5.029
   24   1HE   LYS   2           HE2      LYS   2  -0.968   7.043   3.955
   25   2HE   LYS   2           HE1      LYS   2  -1.141   8.583   4.792
   26   1HZ   LYS   2           HZ2      LYS   2  -0.229   8.585   2.004
   27   2HZ   LYS   2           HZ1      LYS   2  -1.877   8.325   2.320
   28   3HZ   LYS   2           HZ3      LYS   2  -1.129   9.752   2.850
   29    H    ASP   3           HN       ASP   3   4.196   7.252   6.327
   30    HA   ASP   3           HA       ASP   3   4.426   5.229   4.189
   31   1HB   ASP   3           HB2      ASP   3   4.359   4.503   7.076
   32   2HB   ASP   3           HB1      ASP   3   5.452   3.938   5.811
   33    H    GLY   4           HN       GLY   4   2.926   3.308   4.217
   34   1HA   GLY   4           HA2      GLY   4   0.768   2.970   5.981
   35   2HA   GLY   4           HA1      GLY   4   0.197   4.115   4.772
   36    OH   TYR   5           OH       TYR   5   0.185  -3.288   7.696
   37    H    TYR   5           HN       TYR   5  -1.362   2.389   4.325
   38    HA   TYR   5           HA       TYR   5  -0.269   0.135   2.699
   39   1HB   TYR   5           HB2      TYR   5  -2.915   0.580   4.098
   40   2HB   TYR   5           HB1      TYR   5  -2.682  -0.715   2.928
   41    HD1  TYR   5           HD1      TYR   5  -0.348  -2.067   3.342
   42    HD2  TYR   5           HD2      TYR   5  -2.627   0.018   6.321
   43    HE1  TYR   5           HE1      TYR   5   0.683  -3.461   5.108
   44    HE2  TYR   5           HE2      TYR   5  -1.594  -1.375   8.091
   45    HH   TYR   5           HH       TYR   5   1.055  -3.556   7.390
   46    HA   PRO   6           HA       PRO   6  -1.596   3.036  -0.558
   47   1HB   PRO   6           HB2      PRO   6  -0.303   1.223  -2.399
   48   2HB   PRO   6           HB1      PRO   6   0.192   2.856  -1.935
   49   1HG   PRO   6           HG2      PRO   6   1.439   0.391  -1.169
   50   2HG   PRO   6           HG1      PRO   6   1.864   2.019  -0.635
   51   1HD   PRO   6           HD2      PRO   6   0.558  -0.064   0.891
   52   2HD   PRO   6           HD1      PRO   6   1.043   1.555   1.431
   53    H    VAL   7           HN       VAL   7  -3.784   2.647  -0.826
   54    HA   VAL   7           HA       VAL   7  -4.609   0.014  -1.975
   55    HB   VAL   7           HB       VAL   7  -6.820   0.466  -1.151
   56   1HG1  VAL   7          HG12      VAL   7  -5.153  -0.273   0.541
   57   2HG1  VAL   7          HG11      VAL   7  -4.821   1.414   0.925
   58   3HG1  VAL   7          HG13      VAL   7  -6.413   0.734   1.255
   59   1HG2  VAL   7          HG22      VAL   7  -5.800   3.241  -1.151
   60   2HG2  VAL   7          HG21      VAL   7  -7.439   2.647  -1.412
   61   3HG2  VAL   7          HG23      VAL   7  -6.820   2.835   0.228
   62    H    ASP   8           HN       ASP   8  -5.156   0.008  -4.125
   63    HA   ASP   8           HA       ASP   8  -4.865   2.259  -5.789
   64   1HB   ASP   8           HB2      ASP   8  -6.001   0.994  -7.522
   65   2HB   ASP   8           HB1      ASP   8  -4.987  -0.109  -6.591
   66    H    SER   9           HN       SER   9  -7.044   2.811  -7.276
   67    HA   SER   9           HA       SER   9  -8.542   4.592  -5.617
   68   1HB   SER   9           HB2      SER   9 -10.082   4.609  -7.738
   69   2HB   SER   9           HB1      SER   9  -8.448   5.255  -7.848
   70    HG   SER   9           HG       SER   9  -8.799   2.523  -8.289
   71    H    GLY  10           HN       GLY  10  -8.863   1.244  -5.897
   72   1HA   GLY  10           HA2      GLY  10 -11.791   1.340  -5.366
   73   2HA   GLY  10           HA1      GLY  10 -10.889  -0.107  -5.807
   74    H    ASN  11           HN       ASN  11  -9.187   1.705  -3.477
   75    HA   ASN  11           HA       ASN  11  -8.878   1.377  -1.169
   76   1HB   ASN  11           HB2      ASN  11 -11.550   1.552  -1.355
   77   2HB   ASN  11           HB1      ASN  11 -11.437  -0.153  -0.918
   78   1HD2  ASN  11          HD22      ASN  11 -11.557   1.833   2.253
   79   2HD2  ASN  11          HD21      ASN  11 -12.602   1.629   0.931
   80    H    CYS  12           HN       CYS  12  -8.015  -0.428  -3.164
   81    HA   CYS  12           HA       CYS  12  -8.116  -3.047  -1.769
   82   1HB   CYS  12           HB2      CYS  12  -7.177  -2.641  -4.602
   83   2HB   CYS  12           HB1      CYS  12  -7.840  -4.081  -3.849
   84    H    LYS  13           HN       LYS  13  -6.392  -2.662  -0.335
   85    HA   LYS  13           HA       LYS  13  -3.909  -1.446  -0.974
   86   1HB   LYS  13           HB2      LYS  13  -4.432  -1.818   1.329
   87   2HB   LYS  13           HB1      LYS  13  -4.706  -3.538   1.061
   88   1HG   LYS  13           HG2      LYS  13  -2.517  -3.104   2.139
   89   2HG   LYS  13           HG1      LYS  13  -2.339  -3.870   0.562
   90   1HD   LYS  13           HD2      LYS  13  -2.149  -1.436  -0.339
   91   2HD   LYS  13           HD1      LYS  13  -1.798  -1.016   1.337
   92   1HE   LYS  13           HE2      LYS  13   0.271  -1.923   1.241
   93   2HE   LYS  13           HE1      LYS  13  -0.319  -3.372   0.428
   94   1HZ   LYS  13           HZ1      LYS  13   0.057  -0.764  -0.912
   95   2HZ   LYS  13           HZ3      LYS  13   1.215  -2.000  -0.924
   96   3HZ   LYS  13           HZ2      LYS  13  -0.303  -2.246  -1.648
   97    OH   TYR  14           OH       TYR  14  -2.743   1.202  -6.323
   98    H    TYR  14           HN       TYR  14  -2.196  -2.188  -2.200
   99    HA   TYR  14           HA       TYR  14  -2.454  -4.604  -3.720
  100   1HB   TYR  14           HB2      TYR  14   0.166  -3.195  -3.182
  101   2HB   TYR  14           HB1      TYR  14  -0.294  -4.138  -4.599
  102    HD1  TYR  14           HD2      TYR  14  -2.005  -3.291  -6.180
  103    HD2  TYR  14           HD1      TYR  14  -0.516  -0.896  -2.944
  104    HE1  TYR  14           HE2      TYR  14  -2.922  -1.263  -7.262
  105    HE2  TYR  14           HE1      TYR  14  -1.430   1.136  -4.025
  106    HH   TYR  14           HH       TYR  14  -3.052   1.796  -5.635
  107    H    GLU  15           HN       GLU  15  -2.397  -6.574  -2.827
  108    HA   GLU  15           HA       GLU  15  -1.130  -7.192  -0.322
  109   1HB   GLU  15           HB2      GLU  15  -1.719  -9.189  -2.510
  110   2HB   GLU  15           HB1      GLU  15  -1.689  -9.463  -0.769
  111   1HG   GLU  15           HG2      GLU  15  -3.545  -7.436  -1.015
  112   2HG   GLU  15           HG1      GLU  15  -3.851  -8.408  -2.454
  113    H    CYS  16           HN       CYS  16   0.527  -9.303  -0.542
  114    HA   CYS  16           HA       CYS  16   2.568  -8.605  -2.591
  115   1HB   CYS  16           HB2      CYS  16   4.174  -7.920  -1.125
  116   2HB   CYS  16           HB1      CYS  16   2.783  -7.514  -0.127
  117    H    LEU  17           HN       LEU  17   4.603 -10.116  -1.840
  118    HA   LEU  17           HA       LEU  17   3.734 -12.857  -1.199
  119   1HB   LEU  17           HB2      LEU  17   5.227 -13.588  -3.244
  120   2HB   LEU  17           HB1      LEU  17   3.535 -13.175  -3.503
  121    HG   LEU  17           HG       LEU  17   5.022 -10.751  -3.644
  122   1HD1  LEU  17          HD11      LEU  17   6.816 -12.685  -4.143
  123   2HD1  LEU  17          HD13      LEU  17   6.081 -12.584  -5.741
  124   3HD1  LEU  17          HD12      LEU  17   6.822 -11.156  -5.020
  125   1HD2  LEU  17          HD23      LEU  17   3.162 -12.371  -5.203
  126   2HD2  LEU  17          HD22      LEU  17   3.311 -10.615  -5.123
  127   3HD2  LEU  17          HD21      LEU  17   4.322 -11.537  -6.237
  128    H    LYS  18           HN       LYS  18   6.322 -10.586  -2.039
  129    HA   LYS  18           HA       LYS  18   8.030 -11.908   0.011
  130   1HB   LYS  18           HB2      LYS  18   8.667 -12.397  -2.469
  131   2HB   LYS  18           HB1      LYS  18   9.215 -10.720  -2.494
  132   1HG   LYS  18           HG2      LYS  18  11.041 -11.186  -1.234
  133   2HG   LYS  18           HG1      LYS  18  10.113 -12.189  -0.118
  134   1HD   LYS  18           HD2      LYS  18  10.088 -13.962  -1.966
  135   2HD   LYS  18           HD1      LYS  18  11.322 -12.990  -2.768
  136   1HE   LYS  18           HE2      LYS  18  12.301 -13.115  -0.208
  137   2HE   LYS  18           HE1      LYS  18  11.540 -14.696  -0.376
  138   1HZ   LYS  18           HZ1      LYS  18  12.759 -14.997  -2.458
  139   2HZ   LYS  18           HZ3      LYS  18  13.531 -13.505  -2.226
  140   3HZ   LYS  18           HZ2      LYS  18  13.808 -14.780  -1.139
  141    H    ASP  19           HN       ASP  19  10.035 -10.204   0.327
  142    HA   ASP  19           HA       ASP  19   8.704  -7.720   1.166
  143   1HB   ASP  19           HB2      ASP  19  10.414  -8.859   2.595
  144   2HB   ASP  19           HB1      ASP  19  11.631  -8.492   1.373
  145    H    ASP  20           HN       ASP  20  10.948  -8.765  -1.353
  146    HA   ASP  20           HA       ASP  20  11.760  -6.130  -2.169
  147   1HB   ASP  20           HB2      ASP  20  12.316  -7.408  -4.323
  148   2HB   ASP  20           HB1      ASP  20  13.141  -7.936  -2.865
  149    OH   TYR  21           OH       TYR  21   2.094  -6.279  -6.912
  150    H    TYR  21           HN       TYR  21   8.988  -8.179  -2.895
  151    HA   TYR  21           HA       TYR  21   8.140  -6.756  -5.251
  152   1HB   TYR  21           HB2      TYR  21   7.191  -8.945  -4.757
  153   2HB   TYR  21           HB1      TYR  21   6.543  -8.358  -3.225
  154    HD1  TYR  21           HD2      TYR  21   6.611  -6.365  -6.334
  155    HD2  TYR  21           HD1      TYR  21   4.191  -8.760  -3.714
  156    HE1  TYR  21           HE2      TYR  21   4.572  -5.575  -7.498
  157    HE2  TYR  21           HE1      TYR  21   2.150  -7.972  -4.881
  158    HH   TYR  21           HH       TYR  21   1.685  -7.034  -7.341
  159    H    CYS  22           HN       CYS  22   7.360  -6.407  -1.796
  160    HA   CYS  22           HA       CYS  22   5.487  -4.271  -2.102
  161   1HB   CYS  22           HB2      CYS  22   7.309  -5.084   0.168
  162   2HB   CYS  22           HB1      CYS  22   6.173  -3.748   0.300
  163    H    ASN  23           HN       ASN  23   9.003  -4.239  -1.503
  164    HA   ASN  23           HA       ASN  23   9.336  -1.423  -1.325
  165   1HB   ASN  23           HB2      ASN  23  11.112  -3.104  -0.839
  166   2HB   ASN  23           HB1      ASN  23  11.242  -3.448  -2.552
  167   1HD2  ASN  23          HD22      ASN  23  13.203  -0.289  -1.062
  168   2HD2  ASN  23          HD21      ASN  23  12.475  -1.477  -0.094
  169    H    ASP  24           HN       ASP  24   9.901  -3.510  -4.112
  170    HA   ASP  24           HA       ASP  24  10.282  -1.527  -6.073
  171   1HB   ASP  24           HB2      ASP  24  10.469  -3.993  -6.462
  172   2HB   ASP  24           HB1      ASP  24   8.717  -4.106  -6.437
  173    H    LEU  25           HN       LEU  25   7.192  -3.255  -5.830
  174    HA   LEU  25           HA       LEU  25   5.569  -1.477  -7.190
  175   1HB   LEU  25           HB2      LEU  25   4.611  -3.533  -6.491
  176   2HB   LEU  25           HB1      LEU  25   5.030  -3.251  -4.805
  177    HG   LEU  25           HG       LEU  25   3.384  -1.080  -5.524
  178   1HD1  LEU  25          HD12      LEU  25   2.760  -2.470  -7.528
  179   2HD1  LEU  25          HD11      LEU  25   2.155  -3.699  -6.417
  180   3HD1  LEU  25          HD13      LEU  25   1.407  -2.101  -6.460
  181   1HD2  LEU  25          HD21      LEU  25   3.629  -2.797  -3.452
  182   2HD2  LEU  25          HD23      LEU  25   2.208  -1.777  -3.676
  183   3HD2  LEU  25          HD22      LEU  25   2.176  -3.459  -4.204
  184    H    CYS  26           HN       CYS  26   6.917  -1.083  -3.998
  185    HA   CYS  26           HA       CYS  26   5.191   1.030  -3.131
  186   1HB   CYS  26           HB2      CYS  26   7.709  -0.250  -2.216
  187   2HB   CYS  26           HB1      CYS  26   7.385   1.360  -1.615
  188    H    LEU  27           HN       LEU  27   8.427   0.952  -4.596
  189    HA   LEU  27           HA       LEU  27   8.916   3.730  -4.534
  190   1HB   LEU  27           HB2      LEU  27   9.978   1.430  -6.146
  191   2HB   LEU  27           HB1      LEU  27  10.443   3.081  -6.567
  192    HG   LEU  27           HG       LEU  27  10.620   2.179  -3.706
  193   1HD1  LEU  27          HD13      LEU  27  12.511   1.499  -5.958
  194   2HD1  LEU  27          HD12      LEU  27  13.081   1.651  -4.295
  195   3HD1  LEU  27          HD11      LEU  27  11.869   0.437  -4.706
  196   1HD2  LEU  27          HD23      LEU  27  11.334   4.485  -5.264
  197   2HD2  LEU  27          HD22      LEU  27  11.485   4.248  -3.523
  198   3HD2  LEU  27          HD21      LEU  27  12.802   3.773  -4.595
  199    H    GLU  28           HN       GLU  28   7.249   1.666  -6.878
  200    HA   GLU  28           HA       GLU  28   6.938   3.663  -8.880
  201   1HB   GLU  28           HB2      GLU  28   5.710   1.030  -8.277
  202   2HB   GLU  28           HB1      GLU  28   4.757   2.121  -9.283
  203   1HG   GLU  28           HG2      GLU  28   7.666   1.686  -9.902
  204   2HG   GLU  28           HG1      GLU  28   6.471   0.498 -10.426
  205    NH1  ARG  29           NH2      ARG  29  -0.875   4.061  -5.448
  206    NH2  ARG  29           NH1      ARG  29  -0.888   3.621  -7.663
  207    H    ARG  29           HN       ARG  29   5.059   2.719  -6.098
  208    HA   ARG  29           HA       ARG  29   2.792   4.356  -6.523
  209   1HB   ARG  29           HB2      ARG  29   3.576   2.559  -4.594
  210   2HB   ARG  29           HB1      ARG  29   3.615   4.091  -3.720
  211   1HG   ARG  29           HG2      ARG  29   1.389   3.691  -3.441
  212   2HG   ARG  29           HG1      ARG  29   1.273   4.364  -5.067
  213   1HD   ARG  29           HD2      ARG  29   1.964   1.546  -5.133
  214   2HD   ARG  29           HD1      ARG  29   0.460   1.809  -4.257
  215    HE   ARG  29           HE       ARG  29   0.721   1.876  -7.067
  216   1HH1  ARG  29          HH21      ARG  29  -0.563   3.849  -4.524
  217   2HH1  ARG  29          HH22      ARG  29  -1.540   4.794  -5.592
  218   1HH2  ARG  29          HH11      ARG  29  -0.577   3.073  -8.440
  219   2HH2  ARG  29          HH12      ARG  29  -1.559   4.349  -7.802
  220    H    LYS  30           HN       LYS  30   5.990   5.173  -5.794
  221    HA   LYS  30           HA       LYS  30   6.771   7.481  -5.958
  222   1HB   LYS  30           HB2      LYS  30   4.464   8.404  -6.137
  223   2HB   LYS  30           HB1      LYS  30   4.272   8.189  -4.395
  224   1HG   LYS  30           HG2      LYS  30   6.748   9.582  -5.083
  225   2HG   LYS  30           HG1      LYS  30   5.311  10.445  -5.628
  226   1HD   LYS  30           HD2      LYS  30   4.985   9.354  -2.932
  227   2HD   LYS  30           HD1      LYS  30   6.341  10.477  -3.039
  228   1HE   LYS  30           HE2      LYS  30   4.051  11.474  -4.523
  229   2HE   LYS  30           HE1      LYS  30   3.626  11.157  -2.841
  230   1HZ   LYS  30           HZ2      LYS  30   6.054  12.660  -3.624
  231   2HZ   LYS  30           HZ1      LYS  30   4.563  13.417  -3.327
  232   3HZ   LYS  30           HZ3      LYS  30   5.337  12.559  -2.086
  233    H    ALA  31           HN       ALA  31   6.415   5.229  -3.692
  234    HA   ALA  31           HA       ALA  31   7.289   6.841  -1.374
  235   1HB   ALA  31           HB3      ALA  31   6.003   4.322  -1.717
  236   2HB   ALA  31           HB2      ALA  31   7.546   4.019  -0.919
  237   3HB   ALA  31           HB1      ALA  31   6.388   5.140  -0.203
  238    H    ASP  32           HN       ASP  32   9.341   6.383  -0.306
  239    HA   ASP  32           HA       ASP  32  11.513   6.040  -2.159
  240   1HB   ASP  32           HB2      ASP  32  11.225   7.421   0.120
  241   2HB   ASP  32           HB1      ASP  32  11.952   5.963   0.771
  242    H    LYS  33           HN       LYS  33  10.161   4.198   0.574
  243    HA   LYS  33           HA       LYS  33  11.257   1.721  -0.612
  244   1HB   LYS  33           HB2      LYS  33  12.558   1.057   1.292
  245   2HB   LYS  33           HB1      LYS  33  13.064   2.697   0.890
  246   1HG   LYS  33           HG2      LYS  33  10.872   2.229   2.905
  247   2HG   LYS  33           HG1      LYS  33  12.566   2.135   3.381
  248   1HD   LYS  33           HD2      LYS  33  12.709   4.436   2.058
  249   2HD   LYS  33           HD1      LYS  33  10.990   4.501   2.450
  250   1HE   LYS  33           HE2      LYS  33  13.257   4.132   4.432
  251   2HE   LYS  33           HE1      LYS  33  12.292   5.594   4.219
  252   1HZ   LYS  33           HZ1      LYS  33  10.774   3.171   4.656
  253   2HZ   LYS  33           HZ3      LYS  33  11.722   3.659   5.975
  254   3HZ   LYS  33           HZ2      LYS  33  10.568   4.720   5.324
  255    H    GLY  34           HN       GLY  34  10.366  -0.232   0.477
  256   1HA   GLY  34           HA2      GLY  34   8.330   0.036   2.510
  257   2HA   GLY  34           HA1      GLY  34   7.607  -0.108   0.913
  258    OH   TYR  35           OH       TYR  35   6.752  -1.832   8.557
  259    H    TYR  35           HN       TYR  35   7.855  -1.950   3.376
  260    HA   TYR  35           HA       TYR  35   8.917  -4.329   1.899
  261   1HB   TYR  35           HB2      TYR  35   9.098  -5.405   4.163
  262   2HB   TYR  35           HB1      TYR  35  10.172  -4.031   3.952
  263    HD1  TYR  35           HD1      TYR  35   6.718  -4.852   5.148
  264    HD2  TYR  35           HD2      TYR  35  10.169  -2.329   5.574
  265    HE1  TYR  35           HE1      TYR  35   5.677  -3.763   7.117
  266    HE2  TYR  35           HE2      TYR  35   9.127  -1.240   7.546
  267    HH   TYR  35           HH       TYR  35   7.402  -1.814   9.264
  268    H    CYS  36           HN       CYS  36   7.706  -6.327   3.327
  269    HA   CYS  36           HA       CYS  36   4.861  -5.797   2.652
  270   1HB   CYS  36           HB2      CYS  36   6.026  -7.658   1.489
  271   2HB   CYS  36           HB1      CYS  36   6.212  -8.461   3.044
  272    OH   TYR  37           OH       TYR  37   3.313  -4.961  12.372
  273    H    TYR  37           HN       TYR  37   3.384  -5.721   4.168
  274    HA   TYR  37           HA       TYR  37   4.006  -6.819   6.869
  275   1HB   TYR  37           HB2      TYR  37   3.138  -4.301   6.277
  276   2HB   TYR  37           HB1      TYR  37   1.594  -5.122   6.481
  277    HD1  TYR  37           HD1      TYR  37   2.910  -7.241   8.447
  278    HD2  TYR  37           HD2      TYR  37   2.758  -2.950   8.323
  279    HE1  TYR  37           HE1      TYR  37   3.200  -7.160  10.908
  280    HE2  TYR  37           HE2      TYR  37   3.054  -2.869  10.784
  281    HH   TYR  37           HH       TYR  37   3.031  -4.095  12.675
  282    CH2  TRP  38           CH2      TRP  38  -1.151 -12.883   1.493
  283    H    TRP  38           HN       TRP  38   3.551  -8.926   5.786
  284    HA   TRP  38           HA       TRP  38   1.044  -9.603   4.621
  285   1HB   TRP  38           HB2      TRP  38   3.467 -10.935   5.368
  286   2HB   TRP  38           HB1      TRP  38   2.102 -11.889   5.941
  287    HD1  TRP  38           HD1      TRP  38   4.180 -11.563   3.039
  288    HE1  TRP  38           HE1      TRP  38   3.021 -12.422   0.906
  289    HE3  TRP  38           HE3      TRP  38  -0.654 -11.784   4.684
  290    HZ2  TRP  38           HZ2      TRP  38   0.396 -13.115   0.013
  291    HZ3  TRP  38           HZ3      TRP  38  -2.459 -12.550   3.170
  292    HH2  TRP  38           HH2      TRP  38  -1.943 -13.215   0.837
  293    H    GLY  39           HN       GLY  39   2.115 -10.984   7.718
  294   1HA   GLY  39           HA2      GLY  39  -0.193 -11.906   8.776
  295   2HA   GLY  39           HA1      GLY  39   0.959 -11.052   9.799
  296    H    LYS  40           HN       LYS  40   0.591  -8.488   8.453
  297    HA   LYS  40           HA       LYS  40  -1.735  -7.592   9.944
  298   1HB   LYS  40           HB2      LYS  40   0.534  -6.369   8.610
  299   2HB   LYS  40           HB1      LYS  40  -0.963  -5.527   8.209
  300   1HG   LYS  40           HG2      LYS  40  -0.002  -6.177  11.012
  301   2HG   LYS  40           HG1      LYS  40   0.036  -4.584  10.256
  302   1HD   LYS  40           HD2      LYS  40  -2.488  -4.831   9.930
  303   2HD   LYS  40           HD1      LYS  40  -2.394  -6.216  11.017
  304   1HE   LYS  40           HE2      LYS  40  -2.965  -4.190  12.282
  305   2HE   LYS  40           HE1      LYS  40  -1.367  -4.771  12.750
  306   1HZ   LYS  40           HZ2      LYS  40  -1.399  -2.921  10.526
  307   2HZ   LYS  40           HZ1      LYS  40  -1.895  -2.256  12.009
  308   3HZ   LYS  40           HZ3      LYS  40  -0.368  -2.984  11.875
  309    H    VAL  41           HN       VAL  41  -0.957  -7.475   6.415
  310    HA   VAL  41           HA       VAL  41  -3.527  -8.411   5.628
  311    HB   VAL  41           HB       VAL  41  -4.480  -6.463   6.591
  312   1HG1  VAL  41          HG12      VAL  41  -2.093  -5.332   6.541
  313   2HG1  VAL  41          HG11      VAL  41  -2.701  -4.611   5.051
  314   3HG1  VAL  41          HG13      VAL  41  -3.548  -4.338   6.574
  315   1HG2  VAL  41          HG22      VAL  41  -4.674  -6.965   3.878
  316   2HG2  VAL  41          HG21      VAL  41  -5.711  -5.861   4.782
  317   3HG2  VAL  41          HG23      VAL  41  -4.297  -5.244   3.927
  318    H    SER  42           HN       SER  42  -0.879  -6.164   4.725
  319    HA   SER  42           HA       SER  42  -0.547  -7.542   2.158
  320   1HB   SER  42           HB2      SER  42  -1.639  -4.732   2.144
  321   2HB   SER  42           HB1      SER  42  -1.229  -5.693   0.731
  322    HG   SER  42           HG       SER  42  -2.854  -7.140   1.312
  323    H    CYS  43           HN       CYS  43   0.488  -5.243   0.799
  324    HA   CYS  43           HA       CYS  43   3.200  -5.257   1.724
  325   1HB   CYS  43           HB2      CYS  43   1.637  -3.863  -0.400
  326   2HB   CYS  43           HB1      CYS  43   3.167  -3.130   0.067
  327    OH   TYR  44           OH       TYR  44   2.941   2.319   8.326
  328    H    TYR  44           HN       TYR  44   4.279  -2.897   1.771
  329    HA   TYR  44           HA       TYR  44   2.748  -0.916   3.291
  330   1HB   TYR  44           HB2      TYR  44   3.572  -2.743   4.934
  331   2HB   TYR  44           HB1      TYR  44   5.176  -2.068   4.662
  332    HD1  TYR  44           HD2      TYR  44   1.729  -1.244   5.764
  333    HD2  TYR  44           HD1      TYR  44   5.831   0.002   5.675
  334    HE1  TYR  44           HE2      TYR  44   1.207   0.565   7.364
  335    HE2  TYR  44           HE1      TYR  44   5.317   1.816   7.285
  336    HH   TYR  44           HH       TYR  44   3.645   2.343   8.979
  337    H    CYS  45           HN       CYS  45   3.420   0.943   2.337
  338    HA   CYS  45           HA       CYS  45   6.216   1.083   1.301
  339   1HB   CYS  45           HB2      CYS  45   3.837   2.868   0.720
  340   2HB   CYS  45           HB1      CYS  45   5.420   2.981  -0.041
  341    OH   TYR  46           OH       TYR  46   7.437   0.191   7.678
  342    H    TYR  46           HN       TYR  46   7.126   3.326   1.344
  343    HA   TYR  46           HA       TYR  46   6.459   4.911   3.766
  344   1HB   TYR  46           HB2      TYR  46   9.192   3.806   3.071
  345   2HB   TYR  46           HB1      TYR  46   8.921   5.059   4.274
  346    HD1  TYR  46           HD2      TYR  46   8.461   1.515   3.443
  347    HD2  TYR  46           HD1      TYR  46   7.892   4.537   6.416
  348    HE1  TYR  46           HE2      TYR  46   8.006  -0.242   5.133
  349    HE2  TYR  46           HE1      TYR  46   7.432   2.794   8.114
  350    HH   TYR  46           HH       TYR  46   8.171   0.182   8.297
  351    H    GLY  47           HN       GLY  47   5.816   6.644   2.455
  352   1HA   GLY  47           HA2      GLY  47   7.087   8.737   1.619
  353   2HA   GLY  47           HA1      GLY  47   7.801   7.630   0.451
  354    H    LEU  48           HN       LEU  48   4.499   7.055   1.319
  355    HA   LEU  48           HA       LEU  48   3.633   7.518  -1.408
  356   1HB   LEU  48           HB2      LEU  48   2.014   7.032   1.117
  357   2HB   LEU  48           HB1      LEU  48   1.398   6.932  -0.532
  358    HG   LEU  48           HG       LEU  48   3.711   5.262   0.482
  359   1HD1  LEU  48          HD13      LEU  48   1.039   5.021   1.251
  360   2HD1  LEU  48          HD12      LEU  48   1.215   3.856  -0.062
  361   3HD1  LEU  48          HD11      LEU  48   2.267   3.759   1.350
  362   1HD2  LEU  48          HD22      LEU  48   2.000   5.288  -2.012
  363   2HD2  LEU  48          HD21      LEU  48   3.755   5.421  -1.897
  364   3HD2  LEU  48          HD23      LEU  48   2.963   3.884  -1.553
  365    HA   PRO  49           HA       PRO  49   2.510  11.729  -1.284
  366   1HB   PRO  49           HB2      PRO  49  -0.194  11.345  -2.235
  367   2HB   PRO  49           HB1      PRO  49   1.215  11.916  -3.139
  368   1HG   PRO  49           HG2      PRO  49  -0.066   9.361  -3.370
  369   2HG   PRO  49           HG1      PRO  49   1.399   9.905  -4.196
  370   1HD   PRO  49           HD2      PRO  49   1.176   7.987  -2.040
  371   2HD   PRO  49           HD1      PRO  49   2.638   8.486  -2.916
  372    H    ASP  50           HN       ASP  50   1.224  13.240  -0.023
  373    HA   ASP  50           HA       ASP  50   0.378  12.351   2.501
  374   1HB   ASP  50           HB2      ASP  50   0.412  14.839   1.022
  375   2HB   ASP  50           HB1      ASP  50  -1.026  14.700   2.022
  376    H    ASN  51           HN       ASN  51  -1.626  13.478  -0.169
  377    HA   ASN  51           HA       ASN  51  -4.060  12.517   1.000
  378   1HB   ASN  51           HB2      ASN  51  -4.942  13.070  -1.325
  379   2HB   ASN  51           HB1      ASN  51  -4.229  14.406  -0.440
  380   1HD2  ASN  51          HD22      ASN  51  -2.612  14.740  -3.666
  381   2HD2  ASN  51          HD21      ASN  51  -4.056  15.148  -2.872
  382    H    SER  52           HN       SER  52  -1.541  10.844  -0.297
  383    HA   SER  52           HA       SER  52  -2.495   9.078  -2.205
  384   1HB   SER  52           HB2      SER  52  -0.196   9.095  -1.099
  385   2HB   SER  52           HB1      SER  52  -0.915   8.141   0.195
  386    HG   SER  52           HG       SER  52  -1.355   6.529  -1.249
  387    HA   PRO  53           HA       PRO  53  -6.098   7.513  -0.035
  388   1HB   PRO  53           HB2      PRO  53  -6.502   5.673  -2.212
  389   2HB   PRO  53           HB1      PRO  53  -7.399   7.157  -1.860
  390   1HG   PRO  53           HG2      PRO  53  -5.489   6.709  -3.980
  391   2HG   PRO  53           HG1      PRO  53  -6.408   8.181  -3.636
  392   1HD   PRO  53           HD2      PRO  53  -3.599   7.729  -3.219
  393   2HD   PRO  53           HD1      PRO  53  -4.533   9.190  -2.838
  394    H    THR  54           HN       THR  54  -5.749   6.055   1.589
  395    HA   THR  54           HA       THR  54  -4.423   3.466   0.890
  396    HB   THR  54           HB       THR  54  -3.207   3.491   2.957
  397    HG1  THR  54           HG1      THR  54  -3.578   5.028   4.510
  398   1HG2  THR  54          HG23      THR  54  -2.939   5.573   1.021
  399   2HG2  THR  54          HG22      THR  54  -2.572   6.250   2.607
  400   3HG2  THR  54          HG21      THR  54  -1.682   4.845   2.021
  401    H    LYS  55           HN       LYS  55  -4.900   1.806   2.727
  402    HA   LYS  55           HA       LYS  55  -7.569   1.152   2.850
  403   1HB   LYS  55           HB2      LYS  55  -5.830  -0.350   3.689
  404   2HB   LYS  55           HB1      LYS  55  -5.518   0.735   5.043
  405   1HG   LYS  55           HG2      LYS  55  -7.016  -1.247   5.578
  406   2HG   LYS  55           HG1      LYS  55  -7.688   0.333   5.982
  407   1HD   LYS  55           HD2      LYS  55  -9.310  -1.190   4.802
  408   2HD   LYS  55           HD1      LYS  55  -9.039   0.343   3.972
  409   1HE   LYS  55           HE2      LYS  55  -7.507  -0.697   2.414
  410   2HE   LYS  55           HE1      LYS  55  -7.552  -2.214   3.313
  411   1HZ   LYS  55           HZ2      LYS  55 -10.145  -1.810   2.850
  412   2HZ   LYS  55           HZ1      LYS  55  -9.477  -1.106   1.455
  413   3HZ   LYS  55           HZ3      LYS  55  -9.140  -2.725   1.834
  414    H    THR  56           HN       THR  56  -8.971   2.911   3.184
  415    HA   THR  56           HA       THR  56  -8.665   4.685   5.467
  416    HB   THR  56           HB       THR  56 -10.982   4.270   3.564
  417    HG1  THR  56           HG1      THR  56 -10.143   6.045   2.552
  418   1HG2  THR  56          HG21      THR  56 -11.368   5.303   5.945
  419   2HG2  THR  56          HG23      THR  56 -10.546   6.708   5.266
  420   3HG2  THR  56          HG22      THR  56 -12.037   6.116   4.530
  421    H    SER  57           HN       SER  57 -11.729   3.156   4.821
  422    HA   SER  57           HA       SER  57 -11.604   1.497   7.202
  423   1HB   SER  57           HB2      SER  57 -13.320   2.599   8.448
  424   2HB   SER  57           HB1      SER  57 -12.184   3.861   7.981
  425    HG   SER  57           HG       SER  57 -14.348   4.456   7.547
  426    H    GLY  58           HN       GLY  58 -11.903   0.407   4.841
  427   1HA   GLY  58           HA2      GLY  58 -14.614  -0.660   4.867
  428   2HA   GLY  58           HA1      GLY  58 -14.290   0.331   3.444
  429    H    LYS  59           HN       LYS  59 -14.652  -1.806   2.323
  430    HA   LYS  59           HA       LYS  59 -12.122  -3.406   2.318
  431   1HB   LYS  59           HB2      LYS  59 -14.875  -4.251   2.594
  432   2HB   LYS  59           HB1      LYS  59 -14.168  -4.947   1.134
  433   1HG   LYS  59           HG2      LYS  59 -12.519  -4.983   3.625
  434   2HG   LYS  59           HG1      LYS  59 -13.865  -6.119   3.513
  435   1HD   LYS  59           HD2      LYS  59 -12.613  -6.237   1.004
  436   2HD   LYS  59           HD1      LYS  59 -11.291  -6.196   2.172
  437   1HE   LYS  59           HE2      LYS  59 -13.015  -7.943   3.381
  438   2HE   LYS  59           HE1      LYS  59 -13.301  -8.301   1.678
  439   1HZ   LYS  59           HZ3      LYS  59 -10.907  -8.551   1.384
  440   2HZ   LYS  59           HZ2      LYS  59 -10.661  -8.254   3.038
  441   3HZ   LYS  59           HZ1      LYS  59 -11.504  -9.642   2.536
  442    H    CYS  60           HN       CYS  60 -11.410  -4.137   0.229
  443    HA   CYS  60           HA       CYS  60 -11.567  -2.262  -1.869
  444   1HB   CYS  60           HB2      CYS  60  -9.785  -3.878  -1.851
  445   2HB   CYS  60           HB1      CYS  60 -10.923  -5.222  -1.901
  446    H    ASN  61           HN       ASN  61 -13.671  -1.682  -2.508
  447    HA   ASN  61           HA       ASN  61 -15.296  -3.912  -3.663
  448   1HB   ASN  61           HB2      ASN  61 -16.362  -2.868  -1.660
  449   2HB   ASN  61           HB1      ASN  61 -16.354  -1.319  -2.509
  450   1HD2  ASN  61          HD22      ASN  61 -19.650  -3.014  -3.156
  451   2HD2  ASN  61          HD21      ASN  61 -18.835  -2.522  -1.750
  452    HA   PRO  62           HA       PRO  62 -14.395  -1.669  -7.426
  453   1HB   PRO  62           HB2      PRO  62 -16.419  -3.240  -8.753
  454   2HB   PRO  62           HB1      PRO  62 -14.661  -3.392  -8.885
  455   1HG   PRO  62           HG2      PRO  62 -16.483  -5.160  -7.521
  456   2HG   PRO  62           HG1      PRO  62 -14.724  -5.305  -7.647
  457   1HD   PRO  62           HD2      PRO  62 -16.259  -4.591  -5.323
  458   2HD   PRO  62           HD1      PRO  62 -14.494  -4.690  -5.471
  459    H    ALA  63           HN       ALA  63 -15.336   0.375  -7.077
  460    HA   ALA  63           HA       ALA  63 -18.255   0.555  -7.693
  461   1HB   ALA  63           HB2      ALA  63 -17.134   1.085  -5.201
  462   2HB   ALA  63           HB1      ALA  63 -17.287   2.681  -5.936
  463   3HB   ALA  63           HB3      ALA  63 -18.707   1.649  -5.768
   
  Start of MODEL           5
 Raw file had  463 H/Q atoms
  Start of MODEL    5
    1   1H    LYS   1           HT3      LYS   1   3.171  13.715   2.959
    2   2H    LYS   1           HT2      LYS   1   4.804  14.183   2.912
    3   3H    LYS   1           HT1      LYS   1   3.873  14.191   1.491
    4    HA   LYS   1           HA       LYS   1   3.856  11.905   1.302
    5   1HB   LYS   1           HB2      LYS   1   6.509  12.588   2.611
    6   2HB   LYS   1           HB1      LYS   1   6.205  11.224   1.533
    7   1HG   LYS   1           HG2      LYS   1   5.407  13.002  -0.169
    8   2HG   LYS   1           HG1      LYS   1   6.223  14.167   0.873
    9   1HD   LYS   1           HD2      LYS   1   7.614  11.680  -0.123
   10   2HD   LYS   1           HD1      LYS   1   7.605  13.179  -1.053
   11   1HE   LYS   1           HE2      LYS   1   8.257  13.881   1.616
   12   2HE   LYS   1           HE1      LYS   1   9.248  12.483   1.202
   13   1HZ   LYS   1           HZ3      LYS   1   9.541  13.842  -1.010
   14   2HZ   LYS   1           HZ2      LYS   1   9.206  15.154   0.015
   15   3HZ   LYS   1           HZ1      LYS   1  10.524  14.133   0.341
   16    H    LYS   2           HN       LYS   2   4.031   9.767   2.332
   17    HA   LYS   2           HA       LYS   2   4.503   9.500   5.159
   18   1HB   LYS   2           HB2      LYS   2   2.008   8.828   5.588
   19   2HB   LYS   2           HB1      LYS   2   2.463  10.531   5.640
   20   1HG   LYS   2           HG2      LYS   2   0.537  10.512   4.278
   21   2HG   LYS   2           HG1      LYS   2   1.862  10.557   3.117
   22   1HD   LYS   2           HD2      LYS   2   1.278   8.557   2.260
   23   2HD   LYS   2           HD1      LYS   2   1.227   7.822   3.863
   24   1HE   LYS   2           HE2      LYS   2  -1.022   7.883   3.872
   25   2HE   LYS   2           HE1      LYS   2  -1.012   9.615   3.539
   26   1HZ   LYS   2           HZ2      LYS   2  -0.658   7.507   1.480
   27   2HZ   LYS   2           HZ1      LYS   2  -2.129   8.292   1.805
   28   3HZ   LYS   2           HZ3      LYS   2  -0.811   9.178   1.211
   29    H    ASP   3           HN       ASP   3   4.249   7.290   5.864
   30    HA   ASP   3           HA       ASP   3   4.567   5.334   3.703
   31   1HB   ASP   3           HB2      ASP   3   4.235   4.619   6.602
   32   2HB   ASP   3           HB1      ASP   3   5.305   3.900   5.396
   33    H    GLY   4           HN       GLY   4   3.168   3.207   3.931
   34   1HA   GLY   4           HA2      GLY   4   0.836   2.794   5.230
   35   2HA   GLY   4           HA1      GLY   4   0.340   4.083   4.141
   36    OH   TYR   5           OH       TYR   5   0.595  -2.037   7.538
   37    H    TYR   5           HN       TYR   5  -1.149   2.127   3.584
   38    HA   TYR   5           HA       TYR   5   0.177   0.393   1.545
   39   1HB   TYR   5           HB2      TYR   5  -2.579  -0.026   2.701
   40   2HB   TYR   5           HB1      TYR   5  -1.555  -1.195   1.870
   41    HD1  TYR   5           HD1      TYR   5  -1.686   0.943   4.945
   42    HD2  TYR   5           HD2      TYR   5  -0.150  -2.604   3.081
   43    HE1  TYR   5           HE1      TYR   5  -0.756   0.198   7.121
   44    HE2  TYR   5           HE2      TYR   5   0.787  -3.347   5.248
   45    HH   TYR   5           HH       TYR   5  -0.054  -1.847   8.220
   46    HA   PRO   6           HA       PRO   6  -2.036   3.129  -1.268
   47   1HB   PRO   6           HB2      PRO   6  -0.962   1.708  -3.489
   48   2HB   PRO   6           HB1      PRO   6  -0.376   3.239  -2.821
   49   1HG   PRO   6           HG2      PRO   6   0.871   0.622  -2.657
   50   2HG   PRO   6           HG1      PRO   6   1.502   2.174  -2.091
   51   1HD   PRO   6           HD2      PRO   6   0.457   0.013  -0.497
   52   2HD   PRO   6           HD1      PRO   6   1.071   1.581   0.065
   53    H    VAL   7           HN       VAL   7  -4.147   2.719  -1.864
   54    HA   VAL   7           HA       VAL   7  -4.879  -0.108  -2.522
   55    HB   VAL   7           HB       VAL   7  -7.157   0.488  -1.812
   56   1HG1  VAL   7          HG11      VAL   7  -4.896   1.114   0.095
   57   2HG1  VAL   7          HG13      VAL   7  -6.576   1.031   0.623
   58   3HG1  VAL   7          HG12      VAL   7  -5.796  -0.395  -0.060
   59   1HG2  VAL   7          HG21      VAL   7  -5.881   3.196  -1.334
   60   2HG2  VAL   7          HG23      VAL   7  -7.222   2.827  -2.417
   61   3HG2  VAL   7          HG22      VAL   7  -7.448   2.731  -0.670
   62    H    ASP   8           HN       ASP   8  -5.936  -0.519  -4.452
   63    HA   ASP   8           HA       ASP   8  -5.662   1.335  -6.603
   64   1HB   ASP   8           HB2      ASP   8  -7.004  -0.243  -7.901
   65   2HB   ASP   8           HB1      ASP   8  -5.880  -1.141  -6.880
   66    H    SER   9           HN       SER   9  -8.141   1.361  -7.911
   67    HA   SER   9           HA       SER   9  -9.440   3.566  -6.533
   68   1HB   SER   9           HB2      SER   9 -10.613   3.883  -8.509
   69   2HB   SER   9           HB1      SER   9  -9.209   3.007  -9.116
   70    HG   SER   9           HG       SER   9 -10.617   1.073  -8.602
   71    H    GLY  10           HN       GLY  10  -9.628   0.320  -5.961
   72   1HA   GLY  10           HA2      GLY  10 -12.543   0.419  -5.329
   73   2HA   GLY  10           HA1      GLY  10 -11.609  -1.065  -5.514
   74    H    ASN  11           HN       ASN  11  -9.626   0.963  -3.848
   75    HA   ASN  11           HA       ASN  11  -9.178   1.307  -1.560
   76   1HB   ASN  11           HB2      ASN  11 -11.997   1.005  -1.600
   77   2HB   ASN  11           HB1      ASN  11 -11.397  -0.064  -0.331
   78   1HD2  ASN  11          HD22      ASN  11 -11.831   3.313   1.187
   79   2HD2  ASN  11          HD21      ASN  11 -12.860   2.159   0.487
   80    H    CYS  12           HN       CYS  12  -8.251  -0.872  -3.027
   81    HA   CYS  12           HA       CYS  12  -8.225  -3.052  -0.978
   82   1HB   CYS  12           HB2      CYS  12  -8.458  -3.100  -3.921
   83   2HB   CYS  12           HB1      CYS  12  -7.281  -4.232  -3.262
   84    H    LYS  13           HN       LYS  13  -6.315  -3.030   0.099
   85    HA   LYS  13           HA       LYS  13  -4.002  -1.578  -0.820
   86   1HB   LYS  13           HB2      LYS  13  -4.035  -3.760   1.279
   87   2HB   LYS  13           HB1      LYS  13  -2.904  -2.413   1.148
   88   1HG   LYS  13           HG2      LYS  13  -4.411  -0.886   1.992
   89   2HG   LYS  13           HG1      LYS  13  -5.805  -1.759   1.357
   90   1HD   LYS  13           HD2      LYS  13  -5.789  -1.974   3.783
   91   2HD   LYS  13           HD1      LYS  13  -5.409  -3.541   3.071
   92   1HE   LYS  13           HE2      LYS  13  -3.628  -3.510   4.481
   93   2HE   LYS  13           HE1      LYS  13  -2.914  -2.429   3.284
   94   1HZ   LYS  13           HZ1      LYS  13  -4.565  -1.512   5.574
   95   2HZ   LYS  13           HZ3      LYS  13  -2.869  -1.564   5.590
   96   3HZ   LYS  13           HZ2      LYS  13  -3.676  -0.543   4.497
   97    OH   TYR  14           OH       TYR  14  -3.157   0.269  -7.327
   98    H    TYR  14           HN       TYR  14  -2.507  -2.248  -2.294
   99    HA   TYR  14           HA       TYR  14  -2.583  -4.708  -3.659
  100   1HB   TYR  14           HB2      TYR  14  -0.136  -2.995  -3.095
  101   2HB   TYR  14           HB1      TYR  14  -0.253  -4.234  -4.344
  102    HD1  TYR  14           HD1      TYR  14  -1.849  -3.957  -6.246
  103    HD2  TYR  14           HD2      TYR  14  -1.137  -0.827  -3.392
  104    HE1  TYR  14           HE1      TYR  14  -2.874  -2.315  -7.793
  105    HE2  TYR  14           HE2      TYR  14  -2.162   0.818  -4.940
  106    HH   TYR  14           HH       TYR  14  -3.474   1.010  -6.805
  107    H    GLU  15           HN       GLU  15  -2.222  -6.729  -2.896
  108    HA   GLU  15           HA       GLU  15  -1.386  -7.333  -0.267
  109   1HB   GLU  15           HB2      GLU  15  -1.400  -8.929  -2.815
  110   2HB   GLU  15           HB1      GLU  15  -0.890  -9.628  -1.278
  111   1HG   GLU  15           HG2      GLU  15  -3.029  -9.296  -0.291
  112   2HG   GLU  15           HG1      GLU  15  -3.534  -8.196  -1.575
  113    H    CYS  16           HN       CYS  16   0.581  -9.157  -0.246
  114    HA   CYS  16           HA       CYS  16   2.969  -8.261  -1.655
  115   1HB   CYS  16           HB2      CYS  16   4.191  -7.436   0.231
  116   2HB   CYS  16           HB1      CYS  16   2.649  -6.586   0.206
  117    H    LEU  17           HN       LEU  17   4.784  -9.681  -1.239
  118    HA   LEU  17           HA       LEU  17   4.176 -12.099   0.396
  119   1HB   LEU  17           HB2      LEU  17   5.217 -12.133  -2.457
  120   2HB   LEU  17           HB1      LEU  17   4.988 -13.547  -1.426
  121    HG   LEU  17           HG       LEU  17   2.572 -12.018  -1.411
  122   1HD1  LEU  17          HD13      LEU  17   3.592 -11.217  -3.633
  123   2HD1  LEU  17          HD12      LEU  17   3.366 -12.872  -4.200
  124   3HD1  LEU  17          HD11      LEU  17   1.972 -11.909  -3.710
  125   1HD2  LEU  17          HD21      LEU  17   2.886 -14.478  -1.014
  126   2HD2  LEU  17          HD23      LEU  17   1.625 -14.125  -2.194
  127   3HD2  LEU  17          HD22      LEU  17   3.211 -14.674  -2.736
  128    H    LYS  18           HN       LYS  18   6.565 -10.258  -1.459
  129    HA   LYS  18           HA       LYS  18   8.663 -11.232   0.439
  130   1HB   LYS  18           HB2      LYS  18   9.048 -10.148  -2.371
  131   2HB   LYS  18           HB1      LYS  18  10.301 -10.812  -1.324
  132   1HG   LYS  18           HG2      LYS  18   9.217 -13.004  -1.356
  133   2HG   LYS  18           HG1      LYS  18   7.896 -12.357  -2.328
  134   1HD   LYS  18           HD2      LYS  18  10.066 -11.602  -3.815
  135   2HD   LYS  18           HD1      LYS  18  10.621 -13.138  -3.148
  136   1HE   LYS  18           HE2      LYS  18   8.363 -14.101  -3.886
  137   2HE   LYS  18           HE1      LYS  18   8.159 -12.621  -4.823
  138   1HZ   LYS  18           HZ2      LYS  18  10.533 -14.387  -5.041
  139   2HZ   LYS  18           HZ1      LYS  18   9.181 -14.504  -6.062
  140   3HZ   LYS  18           HZ3      LYS  18  10.115 -13.089  -6.054
  141    H    ASP  19           HN       ASP  19  10.494  -9.475   0.602
  142    HA   ASP  19           HA       ASP  19   9.176  -6.976   1.412
  143   1HB   ASP  19           HB2      ASP  19  10.829  -7.756   2.935
  144   2HB   ASP  19           HB1      ASP  19  11.991  -8.055   1.643
  145    H    ASP  20           HN       ASP  20  11.132  -8.158  -1.228
  146    HA   ASP  20           HA       ASP  20  11.927  -5.533  -2.185
  147   1HB   ASP  20           HB2      ASP  20  13.218  -6.743  -3.596
  148   2HB   ASP  20           HB1      ASP  20  12.716  -8.141  -2.664
  149    OH   TYR  21           OH       TYR  21   1.855  -5.644  -5.608
  150    H    TYR  21           HN       TYR  21   9.235  -7.767  -2.895
  151    HA   TYR  21           HA       TYR  21   8.238  -6.459  -5.200
  152   1HB   TYR  21           HB2      TYR  21   7.198  -8.513  -4.600
  153   2HB   TYR  21           HB1      TYR  21   6.879  -7.963  -2.957
  154    HD1  TYR  21           HD2      TYR  21   6.372  -6.014  -6.077
  155    HD2  TYR  21           HD1      TYR  21   4.490  -8.152  -2.863
  156    HE1  TYR  21           HE2      TYR  21   4.168  -5.130  -6.782
  157    HE2  TYR  21           HE1      TYR  21   2.284  -7.267  -3.568
  158    HH   TYR  21           HH       TYR  21   1.406  -5.319  -4.824
  159    H    CYS  22           HN       CYS  22   7.720  -5.811  -1.762
  160    HA   CYS  22           HA       CYS  22   5.851  -3.663  -2.131
  161   1HB   CYS  22           HB2      CYS  22   7.711  -4.286   0.172
  162   2HB   CYS  22           HB1      CYS  22   6.386  -3.127   0.231
  163    H    ASN  23           HN       ASN  23   9.343  -3.576  -1.329
  164    HA   ASN  23           HA       ASN  23   9.664  -0.776  -1.338
  165   1HB   ASN  23           HB2      ASN  23  11.377  -2.605  -0.792
  166   2HB   ASN  23           HB1      ASN  23  11.672  -2.722  -2.510
  167   1HD2  ASN  23          HD22      ASN  23  13.421   0.347  -2.703
  168   2HD2  ASN  23          HD21      ASN  23  12.653  -0.899  -3.562
  169    H    ASP  24           HN       ASP  24  10.074  -3.034  -4.010
  170    HA   ASP  24           HA       ASP  24  10.652  -1.136  -6.047
  171   1HB   ASP  24           HB2      ASP  24  10.796  -3.706  -6.123
  172   2HB   ASP  24           HB1      ASP  24   9.079  -3.678  -6.498
  173    H    LEU  25           HN       LEU  25   7.547  -2.881  -5.854
  174    HA   LEU  25           HA       LEU  25   6.011  -1.225  -7.454
  175   1HB   LEU  25           HB2      LEU  25   4.983  -3.199  -6.640
  176   2HB   LEU  25           HB1      LEU  25   5.355  -2.806  -4.966
  177    HG   LEU  25           HG       LEU  25   3.741  -0.685  -5.964
  178   1HD1  LEU  25          HD12      LEU  25   3.239  -2.945  -7.491
  179   2HD1  LEU  25          HD11      LEU  25   2.025  -3.047  -6.215
  180   3HD1  LEU  25          HD13      LEU  25   2.111  -1.612  -7.237
  181   1HD2  LEU  25          HD23      LEU  25   3.246  -3.019  -4.088
  182   2HD2  LEU  25          HD22      LEU  25   3.738  -1.383  -3.646
  183   3HD2  LEU  25          HD21      LEU  25   2.118  -1.676  -4.280
  184    H    CYS  26           HN       CYS  26   7.102  -0.667  -4.193
  185    HA   CYS  26           HA       CYS  26   5.439   1.543  -3.533
  186   1HB   CYS  26           HB2      CYS  26   7.960   0.312  -2.508
  187   2HB   CYS  26           HB1      CYS  26   7.542   1.908  -1.936
  188    H    LEU  27           HN       LEU  27   8.719   1.314  -4.863
  189    HA   LEU  27           HA       LEU  27   9.274   4.073  -4.947
  190   1HB   LEU  27           HB2      LEU  27  11.253   3.424  -5.867
  191   2HB   LEU  27           HB1      LEU  27  10.700   1.816  -5.421
  192    HG   LEU  27           HG       LEU  27   9.510   2.207  -7.881
  193   1HD1  LEU  27          HD13      LEU  27  10.854   4.267  -8.199
  194   2HD1  LEU  27          HD12      LEU  27  12.324   3.324  -7.960
  195   3HD1  LEU  27          HD11      LEU  27  11.296   3.015  -9.359
  196   1HD2  LEU  27          HD23      LEU  27  12.013   0.830  -6.951
  197   2HD2  LEU  27          HD22      LEU  27  10.465   0.121  -7.412
  198   3HD2  LEU  27          HD21      LEU  27  11.542   0.766  -8.650
  199    H    GLU  28           HN       GLU  28   7.498   1.997  -7.133
  200    HA   GLU  28           HA       GLU  28   7.392   3.841  -9.309
  201   1HB   GLU  28           HB2      GLU  28   5.957   1.351  -8.540
  202   2HB   GLU  28           HB1      GLU  28   5.191   2.389  -9.742
  203   1HG   GLU  28           HG2      GLU  28   6.584   0.789 -10.915
  204   2HG   GLU  28           HG1      GLU  28   7.352   2.373 -11.031
  205    NH1  ARG  29           NH2      ARG  29   1.201   3.766  -7.965
  206    NH2  ARG  29           NH1      ARG  29   0.164   2.050  -8.997
  207    H    ARG  29           HN       ARG  29   5.438   3.277  -6.481
  208    HA   ARG  29           HA       ARG  29   3.422   5.214  -7.281
  209   1HB   ARG  29           HB2      ARG  29   3.773   4.026  -4.533
  210   2HB   ARG  29           HB1      ARG  29   2.292   4.649  -5.264
  211   1HG   ARG  29           HG2      ARG  29   2.988   2.756  -7.093
  212   2HG   ARG  29           HG1      ARG  29   3.611   2.023  -5.616
  213   1HD   ARG  29           HD2      ARG  29   1.542   1.516  -4.914
  214   2HD   ARG  29           HD1      ARG  29   0.990   3.168  -5.156
  215    HE   ARG  29           HE       ARG  29   0.311   0.973  -6.803
  216   1HH1  ARG  29          HH21      ARG  29   1.588   4.179  -7.144
  217   2HH1  ARG  29          HH22      ARG  29   1.182   4.284  -8.820
  218   1HH2  ARG  29          HH11      ARG  29  -0.239   1.136  -8.967
  219   2HH2  ARG  29          HH12      ARG  29   0.133   2.584  -9.842
  220    H    LYS  30           HN       LYS  30   6.490   5.623  -6.335
  221    HA   LYS  30           HA       LYS  30   7.541   7.695  -5.808
  222   1HB   LYS  30           HB2      LYS  30   5.311   8.844  -6.230
  223   2HB   LYS  30           HB1      LYS  30   4.952   8.586  -4.522
  224   1HG   LYS  30           HG2      LYS  30   7.614   9.686  -4.853
  225   2HG   LYS  30           HG1      LYS  30   6.405  10.722  -5.612
  226   1HD   LYS  30           HD2      LYS  30   5.639   9.676  -2.950
  227   2HD   LYS  30           HD1      LYS  30   7.011  10.783  -2.943
  228   1HE   LYS  30           HE2      LYS  30   4.328  11.341  -4.247
  229   2HE   LYS  30           HE1      LYS  30   4.862  11.993  -2.697
  230   1HZ   LYS  30           HZ2      LYS  30   6.826  12.415  -4.697
  231   2HZ   LYS  30           HZ1      LYS  30   5.333  13.057  -5.196
  232   3HZ   LYS  30           HZ3      LYS  30   6.021  13.556  -3.727
  233    H    ALA  31           HN       ALA  31   7.921   5.459  -4.303
  234    HA   ALA  31           HA       ALA  31   7.827   6.569  -1.530
  235   1HB   ALA  31           HB3      ALA  31   7.448   3.722  -2.456
  236   2HB   ALA  31           HB2      ALA  31   7.855   4.130  -0.790
  237   3HB   ALA  31           HB1      ALA  31   6.346   4.709  -1.496
  238    H    ASP  32           HN       ASP  32   9.690   6.395  -0.351
  239    HA   ASP  32           HA       ASP  32  12.155   6.056  -1.788
  240   1HB   ASP  32           HB2      ASP  32  11.492   7.556   0.303
  241   2HB   ASP  32           HB1      ASP  32  12.039   6.141   1.189
  242    H    LYS  33           HN       LYS  33  10.548   4.351   0.900
  243    HA   LYS  33           HA       LYS  33  11.838   1.848  -0.049
  244   1HB   LYS  33           HB2      LYS  33  12.701   1.238   2.111
  245   2HB   LYS  33           HB1      LYS  33  13.298   2.857   1.755
  246   1HG   LYS  33           HG2      LYS  33  10.707   2.640   3.219
  247   2HG   LYS  33           HG1      LYS  33  12.175   2.251   4.108
  248   1HD   LYS  33           HD2      LYS  33  12.490   4.665   2.502
  249   2HD   LYS  33           HD1      LYS  33  11.169   4.811   3.663
  250   1HE   LYS  33           HE2      LYS  33  13.681   3.577   4.669
  251   2HE   LYS  33           HE1      LYS  33  13.737   5.306   4.322
  252   1HZ   LYS  33           HZ1      LYS  33  11.430   5.156   5.609
  253   2HZ   LYS  33           HZ3      LYS  33  12.238   3.865   6.356
  254   3HZ   LYS  33           HZ2      LYS  33  12.910   5.425   6.398
  255    H    GLY  34           HN       GLY  34  10.790  -0.098   0.908
  256   1HA   GLY  34           HA2      GLY  34   8.347   0.165   2.439
  257   2HA   GLY  34           HA1      GLY  34   8.007  -0.073   0.727
  258    OH   TYR  35           OH       TYR  35   6.092  -2.727   8.445
  259    H    TYR  35           HN       TYR  35   7.317  -1.958   2.765
  260    HA   TYR  35           HA       TYR  35   8.779  -4.284   1.690
  261   1HB   TYR  35           HB2      TYR  35   9.231  -5.276   3.846
  262   2HB   TYR  35           HB1      TYR  35   9.973  -3.691   3.797
  263    HD1  TYR  35           HD2      TYR  35   8.029  -1.763   4.437
  264    HD2  TYR  35           HD1      TYR  35   8.318  -5.786   5.905
  265    HE1  TYR  35           HE2      TYR  35   6.741  -1.118   6.454
  266    HE2  TYR  35           HE1      TYR  35   7.035  -5.141   7.925
  267    HH   TYR  35           HH       TYR  35   6.706  -2.667   9.179
  268    H    CYS  36           HN       CYS  36   7.725  -6.292   2.972
  269    HA   CYS  36           HA       CYS  36   4.823  -6.004   2.448
  270   1HB   CYS  36           HB2      CYS  36   5.847  -7.701   1.173
  271   2HB   CYS  36           HB1      CYS  36   6.751  -8.316   2.544
  272    OH   TYR  37           OH       TYR  37   1.098  -6.218  12.042
  273    H    TYR  37           HN       TYR  37   3.486  -5.833   4.154
  274    HA   TYR  37           HA       TYR  37   4.378  -6.911   6.789
  275   1HB   TYR  37           HB2      TYR  37   3.768  -4.515   6.789
  276   2HB   TYR  37           HB1      TYR  37   2.178  -4.915   6.141
  277    HD1  TYR  37           HD1      TYR  37   4.070  -6.895   8.651
  278    HD2  TYR  37           HD2      TYR  37   0.797  -4.201   7.968
  279    HE1  TYR  37           HE1      TYR  37   3.246  -7.308  10.955
  280    HE2  TYR  37           HE2      TYR  37  -0.028  -4.617  10.269
  281    HH   TYR  37           HH       TYR  37   1.582  -6.966  12.400
  282    CH2  TRP  38           CH2      TRP  38   2.126 -15.363   3.278
  283    H    TRP  38           HN       TRP  38   3.720  -9.022   6.800
  284    HA   TRP  38           HA       TRP  38   1.438 -10.050   5.443
  285   1HB   TRP  38           HB2      TRP  38   3.302 -11.065   7.541
  286   2HB   TRP  38           HB1      TRP  38   1.780 -11.926   7.317
  287    HD1  TRP  38           HD1      TRP  38   4.710 -10.633   5.143
  288    HE1  TRP  38           HE1      TRP  38   5.040 -12.286   3.191
  289    HE3  TRP  38           HE3      TRP  38   0.861 -13.855   6.061
  290    HZ2  TRP  38           HZ2      TRP  38   3.831 -14.667   2.161
  291    HZ3  TRP  38           HZ3      TRP  38   0.473 -15.805   4.586
  292    HH2  TRP  38           HH2      TRP  38   1.951 -16.216   2.637
  293    H    GLY  39           HN       GLY  39   1.221 -11.008   8.749
  294   1HA   GLY  39           HA2      GLY  39  -0.669 -10.892  10.151
  295   2HA   GLY  39           HA1      GLY  39  -0.452  -9.150   9.951
  296    H    LYS  40           HN       LYS  40  -1.201 -11.396   7.336
  297    HA   LYS  40           HA       LYS  40  -2.963 -11.328   5.780
  298   1HB   LYS  40           HB2      LYS  40  -4.830 -10.559   8.002
  299   2HB   LYS  40           HB1      LYS  40  -5.066 -11.725   6.701
  300   1HG   LYS  40           HG2      LYS  40  -3.012 -12.924   7.960
  301   2HG   LYS  40           HG1      LYS  40  -3.721 -12.075   9.335
  302   1HD   LYS  40           HD2      LYS  40  -5.894 -13.165   7.902
  303   2HD   LYS  40           HD1      LYS  40  -4.681 -14.442   7.982
  304   1HE   LYS  40           HE2      LYS  40  -5.636 -14.819  10.029
  305   2HE   LYS  40           HE1      LYS  40  -4.546 -13.525  10.526
  306   1HZ   LYS  40           HZ3      LYS  40  -6.483 -12.010   9.794
  307   2HZ   LYS  40           HZ2      LYS  40  -7.433 -13.408   9.971
  308   3HZ   LYS  40           HZ1      LYS  40  -6.569 -12.791  11.297
  309    H    VAL  41           HN       VAL  41  -1.592  -9.087   5.555
  310    HA   VAL  41           HA       VAL  41  -3.672  -6.955   5.483
  311    HB   VAL  41           HB       VAL  41  -0.792  -6.701   6.382
  312   1HG1  VAL  41          HG13      VAL  41  -2.377  -4.822   4.959
  313   2HG1  VAL  41          HG12      VAL  41  -2.343  -4.290   6.639
  314   3HG1  VAL  41          HG11      VAL  41  -0.834  -4.536   5.762
  315   1HG2  VAL  41          HG21      VAL  41  -2.943  -7.391   7.860
  316   2HG2  VAL  41          HG23      VAL  41  -1.643  -6.383   8.498
  317   3HG2  VAL  41          HG22      VAL  41  -3.124  -5.636   7.900
  318    H    SER  42           HN       SER  42  -0.431  -6.140   4.497
  319    HA   SER  42           HA       SER  42  -0.651  -6.993   1.731
  320   1HB   SER  42           HB2      SER  42  -1.689  -4.266   2.494
  321   2HB   SER  42           HB1      SER  42  -1.019  -4.557   0.894
  322    HG   SER  42           HG       SER  42  -2.533  -6.467   0.967
  323    H    CYS  43           HN       CYS  43   0.677  -4.986   0.437
  324    HA   CYS  43           HA       CYS  43   3.399  -5.219   1.361
  325   1HB   CYS  43           HB2      CYS  43   1.966  -4.133  -0.945
  326   2HB   CYS  43           HB1      CYS  43   3.271  -3.066  -0.441
  327    OH   TYR  44           OH       TYR  44   2.998   2.654   7.501
  328    H    TYR  44           HN       TYR  44   4.563  -2.780   1.193
  329    HA   TYR  44           HA       TYR  44   3.013  -0.786   2.680
  330   1HB   TYR  44           HB2      TYR  44   3.962  -2.528   4.364
  331   2HB   TYR  44           HB1      TYR  44   5.515  -1.755   4.047
  332    HD1  TYR  44           HD2      TYR  44   1.966  -0.905   4.855
  333    HD2  TYR  44           HD1      TYR  44   6.097   0.175   5.264
  334    HE1  TYR  44           HE2      TYR  44   1.324   0.950   6.362
  335    HE2  TYR  44           HE1      TYR  44   5.462   2.039   6.770
  336    HH   TYR  44           HH       TYR  44   2.688   3.381   6.956
  337    H    CYS  45           HN       CYS  45   3.838   1.267   2.372
  338    HA   CYS  45           HA       CYS  45   6.483   1.423   0.979
  339   1HB   CYS  45           HB2      CYS  45   4.074   3.228   0.613
  340   2HB   CYS  45           HB1      CYS  45   5.631   3.437  -0.173
  341    OH   TYR  46           OH       TYR  46   7.631   0.376   7.602
  342    H    TYR  46           HN       TYR  46   7.407   3.652   1.175
  343    HA   TYR  46           HA       TYR  46   6.793   5.069   3.712
  344   1HB   TYR  46           HB2      TYR  46   9.463   3.899   2.937
  345   2HB   TYR  46           HB1      TYR  46   9.302   5.157   4.148
  346    HD1  TYR  46           HD2      TYR  46   8.062   4.702   6.258
  347    HD2  TYR  46           HD1      TYR  46   8.874   1.619   3.399
  348    HE1  TYR  46           HE2      TYR  46   7.542   2.987   7.970
  349    HE2  TYR  46           HE1      TYR  46   8.362  -0.099   5.107
  350    HH   TYR  46           HH       TYR  46   6.677   0.328   7.695
  351    H    GLY  47           HN       GLY  47   6.149   6.867   2.449
  352   1HA   GLY  47           HA2      GLY  47   7.386   9.012   1.753
  353   2HA   GLY  47           HA1      GLY  47   8.224   7.974   0.601
  354    H    LEU  48           HN       LEU  48   4.947   7.114   1.130
  355    HA   LEU  48           HA       LEU  48   4.208   7.543  -1.587
  356   1HB   LEU  48           HB2      LEU  48   2.564   7.167   0.928
  357   2HB   LEU  48           HB1      LEU  48   1.840   7.281  -0.677
  358    HG   LEU  48           HG       LEU  48   3.939   5.254   0.150
  359   1HD1  LEU  48          HD13      LEU  48   1.353   5.199   0.930
  360   2HD1  LEU  48          HD12      LEU  48   1.190   4.460  -0.663
  361   3HD1  LEU  48          HD11      LEU  48   2.260   3.738   0.538
  362   1HD2  LEU  48          HD23      LEU  48   3.083   6.211  -2.404
  363   2HD2  LEU  48          HD22      LEU  48   4.199   4.890  -2.057
  364   3HD2  LEU  48          HD21      LEU  48   2.472   4.568  -2.210
  365    HA   PRO  49           HA       PRO  49   3.185  11.776  -1.849
  366   1HB   PRO  49           HB2      PRO  49   0.596  11.399  -3.039
  367   2HB   PRO  49           HB1      PRO  49   2.115  11.799  -3.851
  368   1HG   PRO  49           HG2      PRO  49   0.703   9.281  -3.901
  369   2HG   PRO  49           HG1      PRO  49   2.213   9.695  -4.724
  370   1HD   PRO  49           HD2      PRO  49   1.871   7.983  -2.432
  371   2HD   PRO  49           HD1      PRO  49   3.388   8.426  -3.243
  372    H    ASP  50           HN       ASP  50   1.779  13.374  -0.861
  373    HA   ASP  50           HA       ASP  50   0.698  12.725   1.631
  374   1HB   ASP  50           HB2      ASP  50   0.813  15.040  -0.100
  375   2HB   ASP  50           HB1      ASP  50  -0.710  14.961   0.776
  376    H    ASN  51           HN       ASN  51  -1.145  13.582  -1.249
  377    HA   ASN  51           HA       ASN  51  -3.618  12.641  -0.181
  378   1HB   ASN  51           HB2      ASN  51  -4.465  13.150  -2.424
  379   2HB   ASN  51           HB1      ASN  51  -3.474  14.467  -1.820
  380   1HD2  ASN  51          HD22      ASN  51  -2.277  13.817  -5.262
  381   2HD2  ASN  51          HD21      ASN  51  -3.679  14.439  -4.535
  382    H    SER  52           HN       SER  52  -1.029  10.863  -1.132
  383    HA   SER  52           HA       SER  52  -1.747   8.976  -2.996
  384   1HB   SER  52           HB2      SER  52   0.314   8.980  -1.467
  385   2HB   SER  52           HB1      SER  52  -0.686   8.114  -0.306
  386    HG   SER  52           HG       SER  52  -1.138   6.787  -2.377
  387    HA   PRO  53           HA       PRO  53  -5.782   7.862  -1.316
  388   1HB   PRO  53           HB2      PRO  53  -6.063   6.068  -3.549
  389   2HB   PRO  53           HB1      PRO  53  -6.874   7.617  -3.285
  390   1HG   PRO  53           HG2      PRO  53  -4.764   7.026  -5.160
  391   2HG   PRO  53           HG1      PRO  53  -5.587   8.570  -4.905
  392   1HD   PRO  53           HD2      PRO  53  -2.899   7.871  -4.161
  393   2HD   PRO  53           HD1      PRO  53  -3.745   9.404  -3.863
  394    H    THR  54           HN       THR  54  -4.802   6.656   0.452
  395    HA   THR  54           HA       THR  54  -4.203   3.804  -0.188
  396    HB   THR  54           HB       THR  54  -3.110   3.773   2.056
  397    HG1  THR  54           HG1      THR  54  -2.907   5.693   3.155
  398   1HG2  THR  54          HG21      THR  54  -2.203   4.895  -0.322
  399   2HG2  THR  54          HG23      THR  54  -1.763   6.088   0.900
  400   3HG2  THR  54          HG22      THR  54  -1.201   4.423   1.049
  401    H    LYS  55           HN       LYS  55  -4.956   2.252   1.581
  402    HA   LYS  55           HA       LYS  55  -7.714   2.208   1.819
  403   1HB   LYS  55           HB2      LYS  55  -5.581   0.684   2.846
  404   2HB   LYS  55           HB1      LYS  55  -6.574   1.120   4.238
  405   1HG   LYS  55           HG2      LYS  55  -8.354   0.435   2.133
  406   2HG   LYS  55           HG1      LYS  55  -7.125  -0.826   2.202
  407   1HD   LYS  55           HD2      LYS  55  -7.596  -0.511   4.843
  408   2HD   LYS  55           HD1      LYS  55  -9.184  -0.087   4.205
  409   1HE   LYS  55           HE2      LYS  55  -7.656  -2.666   3.800
  410   2HE   LYS  55           HE1      LYS  55  -9.227  -2.455   4.569
  411   1HZ   LYS  55           HZ1      LYS  55  -9.310  -1.383   1.964
  412   2HZ   LYS  55           HZ3      LYS  55  -8.696  -2.963   1.887
  413   3HZ   LYS  55           HZ2      LYS  55 -10.204  -2.672   2.613
  414    H    THR  56           HN       THR  56  -9.221   3.176   3.108
  415    HA   THR  56           HA       THR  56  -8.228   5.150   5.102
  416    HB   THR  56           HB       THR  56 -10.849   4.920   3.614
  417    HG1  THR  56           HG1      THR  56  -9.678   6.073   2.310
  418   1HG2  THR  56          HG21      THR  56 -10.433   5.974   6.191
  419   2HG2  THR  56          HG23      THR  56 -10.496   7.367   5.113
  420   3HG2  THR  56          HG22      THR  56 -11.838   6.224   5.156
  421    H    SER  57           HN       SER  57 -11.369   3.627   4.918
  422    HA   SER  57           HA       SER  57 -10.871   2.064   7.334
  423   1HB   SER  57           HB2      SER  57 -13.019   3.093   8.343
  424   2HB   SER  57           HB1      SER  57 -11.538   4.043   8.435
  425    HG   SER  57           HG       SER  57 -13.816   4.722   7.318
  426    H    GLY  58           HN       GLY  58 -11.306   0.916   4.953
  427   1HA   GLY  58           HA2      GLY  58 -14.025  -0.214   5.279
  428   2HA   GLY  58           HA1      GLY  58 -13.607   0.440   3.694
  429    H    LYS  59           HN       LYS  59 -14.212  -2.335   4.179
  430    HA   LYS  59           HA       LYS  59 -11.586  -3.702   4.109
  431   1HB   LYS  59           HB2      LYS  59 -14.119  -4.432   5.032
  432   2HB   LYS  59           HB1      LYS  59 -13.915  -5.371   3.553
  433   1HG   LYS  59           HG2      LYS  59 -11.449  -5.386   5.046
  434   2HG   LYS  59           HG1      LYS  59 -12.773  -5.897   6.092
  435   1HD   LYS  59           HD2      LYS  59 -12.886  -7.890   5.058
  436   2HD   LYS  59           HD1      LYS  59 -13.074  -7.104   3.490
  437   1HE   LYS  59           HE2      LYS  59 -10.908  -7.451   2.942
  438   2HE   LYS  59           HE1      LYS  59 -10.341  -6.923   4.526
  439   1HZ   LYS  59           HZ3      LYS  59 -11.706  -9.401   4.718
  440   2HZ   LYS  59           HZ2      LYS  59 -10.451  -9.509   3.578
  441   3HZ   LYS  59           HZ1      LYS  59 -10.117  -9.017   5.169
  442    H    CYS  60           HN       CYS  60 -12.683  -1.875   1.926
  443    HA   CYS  60           HA       CYS  60 -12.373  -1.838  -0.409
  444   1HB   CYS  60           HB2      CYS  60 -10.600  -3.630   0.164
  445   2HB   CYS  60           HB1      CYS  60 -11.817  -4.807  -0.319
  446    H    ASN  61           HN       ASN  61 -14.457  -1.470  -1.087
  447    HA   ASN  61           HA       ASN  61 -15.963  -3.645  -2.247
  448   1HB   ASN  61           HB2      ASN  61 -16.419  -3.727   0.331
  449   2HB   ASN  61           HB1      ASN  61 -17.426  -2.312   0.020
  450   1HD2  ASN  61          HD22      ASN  61 -19.314  -5.622  -0.481
  451   2HD2  ASN  61          HD21      ASN  61 -18.245  -5.149   0.750
  452    HA   PRO  62           HA       PRO  62 -16.572   0.410  -4.232
  453   1HB   PRO  62           HB2      PRO  62 -17.449  -1.112  -6.528
  454   2HB   PRO  62           HB1      PRO  62 -15.976  -0.149  -6.349
  455   1HG   PRO  62           HG2      PRO  62 -16.182  -3.011  -6.407
  456   2HG   PRO  62           HG1      PRO  62 -14.725  -2.045  -6.143
  457   1HD   PRO  62           HD2      PRO  62 -16.186  -3.616  -4.208
  458   2HD   PRO  62           HD1      PRO  62 -14.702  -2.677  -3.958
  459    H    ALA  63           HN       ALA  63 -18.683   0.427  -6.167
  460    HA   ALA  63           HA       ALA  63 -21.030   0.455  -6.339
  461   1HB   ALA  63           HB2      ALA  63 -20.508  -1.926  -5.009
  462   2HB   ALA  63           HB1      ALA  63 -21.623  -1.093  -3.925
  463   3HB   ALA  63           HB3      ALA  63 -22.087  -1.404  -5.598
   
  Start of MODEL           6
 Raw file had  463 H/Q atoms
  Start of MODEL    6
    1   1H    LYS   1           HT1      LYS   1   3.876  14.118   3.964
    2   2H    LYS   1           HT3      LYS   1   5.572  14.117   4.020
    3   3H    LYS   1           HT2      LYS   1   4.772  14.468   2.563
    4    HA   LYS   1           HA       LYS   1   4.063  12.273   2.262
    5   1HB   LYS   1           HB2      LYS   1   6.861  12.267   3.441
    6   2HB   LYS   1           HB1      LYS   1   6.185  10.981   2.442
    7   1HG   LYS   1           HG2      LYS   1   6.370  12.194   0.516
    8   2HG   LYS   1           HG1      LYS   1   5.981  13.716   1.318
    9   1HD   LYS   1           HD2      LYS   1   8.555  12.466   2.104
   10   2HD   LYS   1           HD1      LYS   1   8.476  13.095   0.458
   11   1HE   LYS   1           HE2      LYS   1   7.284  14.919   2.408
   12   2HE   LYS   1           HE1      LYS   1   8.986  14.594   2.739
   13   1HZ   LYS   1           HZ2      LYS   1   8.898  14.921   0.042
   14   2HZ   LYS   1           HZ1      LYS   1   7.797  16.087   0.604
   15   3HZ   LYS   1           HZ3      LYS   1   9.397  16.092   1.168
   16    H    LYS   2           HN       LYS   2   4.145   9.965   3.202
   17    HA   LYS   2           HA       LYS   2   4.309   9.669   6.085
   18   1HB   LYS   2           HB2      LYS   2   1.898   9.184   6.451
   19   2HB   LYS   2           HB1      LYS   2   2.170  10.864   5.988
   20   1HG   LYS   2           HG2      LYS   2   0.449  10.338   4.535
   21   2HG   LYS   2           HG1      LYS   2   1.827   9.869   3.540
   22   1HD   LYS   2           HD2      LYS   2   1.470   7.601   3.865
   23   2HD   LYS   2           HD1      LYS   2   0.672   7.844   5.419
   24   1HE   LYS   2           HE2      LYS   2  -1.139   7.307   4.051
   25   2HE   LYS   2           HE1      LYS   2  -1.150   9.070   3.972
   26   1HZ   LYS   2           HZ3      LYS   2   0.500   8.566   1.992
   27   2HZ   LYS   2           HZ2      LYS   2  -0.388   7.118   1.940
   28   3HZ   LYS   2           HZ1      LYS   2  -1.180   8.611   1.770
   29    H    ASP   3           HN       ASP   3   3.760   7.429   6.747
   30    HA   ASP   3           HA       ASP   3   4.266   5.509   4.538
   31   1HB   ASP   3           HB2      ASP   3   4.026   4.642   7.373
   32   2HB   ASP   3           HB1      ASP   3   5.208   4.160   6.157
   33    H    GLY   4           HN       GLY   4   2.827   3.555   4.403
   34   1HA   GLY   4           HA2      GLY   4   0.606   2.962   5.936
   35   2HA   GLY   4           HA1      GLY   4   0.038   4.283   4.921
   36    OH   TYR   5           OH       TYR   5  -0.311  -2.514   7.761
   37    H    TYR   5           HN       TYR   5  -1.466   2.479   4.249
   38    HA   TYR   5           HA       TYR   5  -0.247   0.605   2.282
   39   1HB   TYR   5           HB2      TYR   5  -3.083   0.721   3.349
   40   2HB   TYR   5           HB1      TYR   5  -2.403  -0.553   2.341
   41    HD1  TYR   5           HD2      TYR   5  -0.792  -2.156   3.246
   42    HD2  TYR   5           HD1      TYR   5  -2.459   0.940   5.704
   43    HE1  TYR   5           HE2      TYR   5   0.016  -3.336   5.268
   44    HE2  TYR   5           HE1      TYR   5  -1.649  -0.236   7.731
   45    HH   TYR   5           HH       TYR   5  -0.889  -3.264   7.922
   46    HA   PRO   6           HA       PRO   6  -1.647   3.789  -0.630
   47   1HB   PRO   6           HB2      PRO   6  -0.415   2.264  -2.724
   48   2HB   PRO   6           HB1      PRO   6   0.172   3.762  -1.990
   49   1HG   PRO   6           HG2      PRO   6   1.233   1.094  -1.658
   50   2HG   PRO   6           HG1      PRO   6   1.840   2.602  -0.962
   51   1HD   PRO   6           HD2      PRO   6   0.455   0.470   0.393
   52   2HD   PRO   6           HD1      PRO   6   1.042   1.997   1.085
   53    H    VAL   7           HN       VAL   7  -3.846   3.461  -1.000
   54    HA   VAL   7           HA       VAL   7  -4.661   0.881  -2.272
   55    HB   VAL   7           HB       VAL   7  -6.967   1.514  -1.618
   56   1HG1  VAL   7          HG11      VAL   7  -4.844   1.533   0.536
   57   2HG1  VAL   7          HG13      VAL   7  -6.567   1.381   0.879
   58   3HG1  VAL   7          HG12      VAL   7  -5.744   0.143  -0.070
   59   1HG2  VAL   7          HG22      VAL   7  -5.556   3.906  -0.400
   60   2HG2  VAL   7          HG21      VAL   7  -6.767   3.938  -1.680
   61   3HG2  VAL   7          HG23      VAL   7  -7.222   3.452  -0.048
   62    H    ASP   8           HN       ASP   8  -5.554   0.870  -4.316
   63    HA   ASP   8           HA       ASP   8  -5.058   3.095  -6.045
   64   1HB   ASP   8           HB2      ASP   8  -6.598   1.794  -7.646
   65   2HB   ASP   8           HB1      ASP   8  -5.163   0.955  -7.068
   66    H    SER   9           HN       SER   9  -7.471   3.372  -7.550
   67    HA   SER   9           HA       SER   9  -8.829   5.344  -5.892
   68   1HB   SER   9           HB2      SER   9 -10.292   4.829  -8.296
   69   2HB   SER   9           HB1      SER   9  -9.291   6.223  -7.903
   70    HG   SER   9           HG       SER   9  -8.272   5.357  -9.599
   71    H    GLY  10           HN       GLY  10  -9.094   2.333  -5.281
   72   1HA   GLY  10           HA2      GLY  10 -12.056   2.392  -5.018
   73   2HA   GLY  10           HA1      GLY  10 -11.243   0.920  -5.557
   74    H    ASN  11           HN       ASN  11  -9.274   2.612  -3.409
   75    HA   ASN  11           HA       ASN  11  -8.742   2.285  -1.151
   76   1HB   ASN  11           HB2      ASN  11 -11.519   2.315  -1.173
   77   2HB   ASN  11           HB1      ASN  11 -11.142   0.773  -0.407
   78   1HD2  ASN  11          HD22      ASN  11 -10.310   2.307   2.629
   79   2HD2  ASN  11          HD21      ASN  11 -10.848   0.927   1.799
   80    H    CYS  12           HN       CYS  12  -8.154   0.440  -3.236
   81    HA   CYS  12           HA       CYS  12  -8.283  -2.194  -1.865
   82   1HB   CYS  12           HB2      CYS  12  -7.786  -1.330  -4.708
   83   2HB   CYS  12           HB1      CYS  12  -7.328  -2.935  -4.159
   84    H    LYS  13           HN       LYS  13  -6.611  -2.101  -0.400
   85    HA   LYS  13           HA       LYS  13  -4.104  -0.814  -0.785
   86   1HB   LYS  13           HB2      LYS  13  -3.383  -2.746   0.938
   87   2HB   LYS  13           HB1      LYS  13  -4.336  -1.353   1.438
   88   1HG   LYS  13           HG2      LYS  13  -6.256  -2.581   1.681
   89   2HG   LYS  13           HG1      LYS  13  -5.852  -3.671   0.355
   90   1HD   LYS  13           HD2      LYS  13  -3.893  -4.067   2.371
   91   2HD   LYS  13           HD1      LYS  13  -5.463  -4.064   3.174
   92   1HE   LYS  13           HE2      LYS  13  -5.260  -5.582   0.620
   93   2HE   LYS  13           HE1      LYS  13  -4.454  -6.273   2.028
   94   1HZ   LYS  13           HZ2      LYS  13  -6.539  -6.052   3.258
   95   2HZ   LYS  13           HZ1      LYS  13  -7.306  -5.461   1.863
   96   3HZ   LYS  13           HZ3      LYS  13  -6.718  -7.052   1.896
   97    OH   TYR  14           OH       TYR  14  -2.605   1.911  -6.854
   98    H    TYR  14           HN       TYR  14  -2.496  -1.317  -2.154
   99    HA   TYR  14           HA       TYR  14  -2.470  -3.495  -3.921
  100   1HB   TYR  14           HB2      TYR  14  -0.117  -1.955  -2.783
  101   2HB   TYR  14           HB1      TYR  14  -0.045  -3.000  -4.204
  102    HD1  TYR  14           HD2      TYR  14  -1.975  -2.521  -5.999
  103    HD2  TYR  14           HD1      TYR  14  -0.499   0.323  -3.137
  104    HE1  TYR  14           HE2      TYR  14  -2.816  -0.664  -7.410
  105    HE2  TYR  14           HE1      TYR  14  -1.344   2.179  -4.550
  106    HH   TYR  14           HH       TYR  14  -2.548   2.722  -6.342
  107    H    GLU  15           HN       GLU  15  -2.819  -5.495  -3.023
  108    HA   GLU  15           HA       GLU  15  -1.565  -6.441  -0.606
  109   1HB   GLU  15           HB2      GLU  15  -3.243  -7.554  -2.782
  110   2HB   GLU  15           HB1      GLU  15  -2.304  -8.705  -1.831
  111   1HG   GLU  15           HG2      GLU  15  -3.283  -7.836   0.241
  112   2HG   GLU  15           HG1      GLU  15  -4.169  -6.615  -0.671
  113    H    CYS  16           HN       CYS  16   0.160  -7.923  -0.377
  114    HA   CYS  16           HA       CYS  16   1.562  -8.970  -2.693
  115   1HB   CYS  16           HB2      CYS  16   3.045  -7.330  -3.026
  116   2HB   CYS  16           HB1      CYS  16   2.269  -6.376  -1.771
  117    H    LEU  17           HN       LEU  17   3.673 -10.088  -1.893
  118    HA   LEU  17           HA       LEU  17   3.291 -11.045   0.912
  119   1HB   LEU  17           HB2      LEU  17   4.203 -12.985  -1.169
  120   2HB   LEU  17           HB1      LEU  17   3.277 -13.271   0.304
  121    HG   LEU  17           HG       LEU  17   1.533 -11.700  -1.061
  122   1HD1  LEU  17          HD11      LEU  17   3.361 -12.995  -3.037
  123   2HD1  LEU  17          HD13      LEU  17   1.636 -12.983  -3.404
  124   3HD1  LEU  17          HD12      LEU  17   2.493 -11.463  -3.147
  125   1HD2  LEU  17          HD23      LEU  17   1.215 -13.983   0.003
  126   2HD2  LEU  17          HD22      LEU  17   0.296 -13.726  -1.481
  127   3HD2  LEU  17          HD21      LEU  17   1.775 -14.687  -1.513
  128    H    LYS  18           HN       LYS  18   5.423  -9.856  -1.467
  129    HA   LYS  18           HA       LYS  18   7.771 -10.803   0.125
  130   1HB   LYS  18           HB2      LYS  18   7.278 -10.615  -2.760
  131   2HB   LYS  18           HB1      LYS  18   8.786  -9.846  -2.264
  132   1HG   LYS  18           HG2      LYS  18   9.691 -11.914  -2.260
  133   2HG   LYS  18           HG1      LYS  18   8.743 -12.214  -0.802
  134   1HD   LYS  18           HD2      LYS  18   7.543 -13.760  -1.909
  135   2HD   LYS  18           HD1      LYS  18   6.998 -12.516  -3.034
  136   1HE   LYS  18           HE2      LYS  18   9.333 -12.857  -4.154
  137   2HE   LYS  18           HE1      LYS  18   9.336 -14.392  -3.285
  138   1HZ   LYS  18           HZ1      LYS  18   6.830 -13.970  -4.521
  139   2HZ   LYS  18           HZ3      LYS  18   8.064 -13.817  -5.673
  140   3HZ   LYS  18           HZ2      LYS  18   7.935 -15.239  -4.753
  141    H    ASP  19           HN       ASP  19   9.616  -9.164   0.096
  142    HA   ASP  19           HA       ASP  19   8.501  -6.510   0.740
  143   1HB   ASP  19           HB2      ASP  19  10.105  -7.371   2.313
  144   2HB   ASP  19           HB1      ASP  19  11.261  -7.722   1.028
  145    H    ASP  20           HN       ASP  20  10.105  -8.042  -1.916
  146    HA   ASP  20           HA       ASP  20  11.309  -5.618  -2.984
  147   1HB   ASP  20           HB2      ASP  20  11.960  -6.998  -4.785
  148   2HB   ASP  20           HB1      ASP  20  11.998  -8.075  -3.403
  149    OH   TYR  21           OH       TYR  21   1.392  -4.725  -7.068
  150    H    TYR  21           HN       TYR  21   8.231  -7.337  -3.366
  151    HA   TYR  21           HA       TYR  21   7.400  -5.785  -5.666
  152   1HB   TYR  21           HB2      TYR  21   6.288  -7.909  -5.167
  153   2HB   TYR  21           HB1      TYR  21   5.756  -7.290  -3.603
  154    HD1  TYR  21           HD2      TYR  21   5.287  -7.080  -7.257
  155    HD2  TYR  21           HD1      TYR  21   3.987  -5.627  -3.433
  156    HE1  TYR  21           HE2      TYR  21   3.283  -6.067  -8.315
  157    HE2  TYR  21           HE1      TYR  21   1.986  -4.620  -4.494
  158    HH   TYR  21           HH       TYR  21   1.025  -5.372  -7.675
  159    H    CYS  22           HN       CYS  22   7.333  -5.363  -2.195
  160    HA   CYS  22           HA       CYS  22   5.503  -3.101  -2.231
  161   1HB   CYS  22           HB2      CYS  22   7.450  -4.150  -0.167
  162   2HB   CYS  22           HB1      CYS  22   6.468  -2.713   0.099
  163    H    ASN  23           HN       ASN  23   9.037  -3.394  -1.788
  164    HA   ASN  23           HA       ASN  23   9.637  -0.631  -1.732
  165   1HB   ASN  23           HB2      ASN  23  11.224  -2.616  -1.414
  166   2HB   ASN  23           HB1      ASN  23  11.279  -2.761  -3.160
  167   1HD2  ASN  23          HD22      ASN  23  13.613  -0.169  -3.503
  168   2HD2  ASN  23          HD21      ASN  23  12.822  -1.505  -4.186
  169    H    ASP  24           HN       ASP  24   9.645  -2.840  -4.498
  170    HA   ASP  24           HA       ASP  24  10.063  -0.905  -6.538
  171   1HB   ASP  24           HB2      ASP  24  10.100  -3.406  -6.842
  172   2HB   ASP  24           HB1      ASP  24   8.344  -3.395  -6.769
  173    H    LEU  25           HN       LEU  25   6.927  -2.490  -6.002
  174    HA   LEU  25           HA       LEU  25   5.293  -0.683  -7.318
  175   1HB   LEU  25           HB2      LEU  25   4.409  -2.748  -6.358
  176   2HB   LEU  25           HB1      LEU  25   4.728  -2.159  -4.728
  177    HG   LEU  25           HG       LEU  25   3.202  -0.120  -5.748
  178   1HD1  LEU  25          HD13      LEU  25   2.796  -2.416  -7.433
  179   2HD1  LEU  25          HD12      LEU  25   1.316  -2.060  -6.542
  180   3HD1  LEU  25          HD11      LEU  25   2.061  -0.817  -7.548
  181   1HD2  LEU  25          HD21      LEU  25   2.721  -2.509  -4.052
  182   2HD2  LEU  25          HD23      LEU  25   2.487  -0.800  -3.680
  183   3HD2  LEU  25          HD22      LEU  25   1.287  -1.667  -4.637
  184    H    CYS  26           HN       CYS  26   6.944  -0.234  -4.290
  185    HA   CYS  26           HA       CYS  26   5.336   1.923  -3.354
  186   1HB   CYS  26           HB2      CYS  26   7.924   0.644  -2.623
  187   2HB   CYS  26           HB1      CYS  26   7.638   2.251  -2.006
  188    H    LEU  27           HN       LEU  27   8.450   1.747  -5.066
  189    HA   LEU  27           HA       LEU  27   8.992   4.513  -5.151
  190   1HB   LEU  27           HB2      LEU  27   9.920   2.096  -6.509
  191   2HB   LEU  27           HB1      LEU  27   9.943   3.509  -7.562
  192    HG   LEU  27           HG       LEU  27  11.207   3.340  -4.810
  193   1HD1  LEU  27          HD12      LEU  27  12.163   2.820  -7.555
  194   2HD1  LEU  27          HD11      LEU  27  13.196   3.896  -6.614
  195   3HD1  LEU  27          HD13      LEU  27  12.824   2.280  -6.012
  196   1HD2  LEU  27          HD23      LEU  27  10.285   5.579  -6.232
  197   2HD2  LEU  27          HD22      LEU  27  11.408   5.587  -4.873
  198   3HD2  LEU  27          HD21      LEU  27  12.024   5.541  -6.524
  199    H    GLU  28           HN       GLU  28   7.107   2.421  -7.314
  200    HA   GLU  28           HA       GLU  28   6.485   4.428  -9.226
  201   1HB   GLU  28           HB2      GLU  28   6.179   1.868  -9.408
  202   2HB   GLU  28           HB1      GLU  28   4.655   2.135  -8.564
  203   1HG   GLU  28           HG2      GLU  28   3.667   2.924 -10.430
  204   2HG   GLU  28           HG1      GLU  28   5.003   4.034 -10.741
  205    NH1  ARG  29           NH2      ARG  29  -0.840   3.425  -8.260
  206    NH2  ARG  29           NH1      ARG  29   0.737   3.409  -9.880
  207    H    ARG  29           HN       ARG  29   4.907   3.384  -6.281
  208    HA   ARG  29           HA       ARG  29   2.665   5.185  -6.593
  209   1HB   ARG  29           HB2      ARG  29   3.629   3.680  -4.147
  210   2HB   ARG  29           HB1      ARG  29   2.075   4.500  -4.294
  211   1HG   ARG  29           HG2      ARG  29   2.972   2.293  -6.165
  212   2HG   ARG  29           HG1      ARG  29   1.996   2.003  -4.726
  213   1HD   ARG  29           HD2      ARG  29   0.242   2.340  -6.140
  214   2HD   ARG  29           HD1      ARG  29   0.614   4.042  -5.903
  215    HE   ARG  29           HE       ARG  29   2.285   3.154  -7.988
  216   1HH1  ARG  29          HH21      ARG  29  -1.088   3.383  -7.293
  217   2HH1  ARG  29          HH22      ARG  29  -1.553   3.528  -8.954
  218   1HH2  ARG  29          HH11      ARG  29   1.698   3.353 -10.153
  219   2HH2  ARG  29          HH12      ARG  29   0.026   3.517 -10.574
  220    H    LYS  30           HN       LYS  30   5.825   5.774  -6.014
  221    HA   LYS  30           HA       LYS  30   6.866   7.803  -5.404
  222   1HB   LYS  30           HB2      LYS  30   4.483   8.785  -5.811
  223   2HB   LYS  30           HB1      LYS  30   4.339   8.722  -4.054
  224   1HG   LYS  30           HG2      LYS  30   6.712  10.005  -5.417
  225   2HG   LYS  30           HG1      LYS  30   5.246  10.910  -5.048
  226   1HD   LYS  30           HD2      LYS  30   5.498  10.128  -2.643
  227   2HD   LYS  30           HD1      LYS  30   7.098   9.530  -3.087
  228   1HE   LYS  30           HE2      LYS  30   6.337  12.354  -3.767
  229   2HE   LYS  30           HE1      LYS  30   6.846  11.966  -2.124
  230   1HZ   LYS  30           HZ2      LYS  30   8.389  11.383  -4.596
  231   2HZ   LYS  30           HZ1      LYS  30   8.715  12.641  -3.501
  232   3HZ   LYS  30           HZ3      LYS  30   8.883  11.026  -3.010
  233    H    ALA  31           HN       ALA  31   7.660   5.887  -3.926
  234    HA   ALA  31           HA       ALA  31   7.351   6.847  -1.129
  235   1HB   ALA  31           HB1      ALA  31   6.914   4.063  -2.173
  236   2HB   ALA  31           HB3      ALA  31   7.478   4.317  -0.521
  237   3HB   ALA  31           HB2      ALA  31   5.931   4.989  -1.038
  238    H    ASP  32           HN       ASP  32   9.213   6.570   0.119
  239    HA   ASP  32           HA       ASP  32  11.698   6.360  -1.313
  240   1HB   ASP  32           HB2      ASP  32  11.034   7.684   0.889
  241   2HB   ASP  32           HB1      ASP  32  11.540   6.190   1.665
  242    H    LYS  33           HN       LYS  33  10.114   4.460   1.246
  243    HA   LYS  33           HA       LYS  33  11.317   2.000   0.094
  244   1HB   LYS  33           HB2      LYS  33  11.851   1.313   2.560
  245   2HB   LYS  33           HB1      LYS  33  12.984   2.361   1.708
  246   1HG   LYS  33           HG2      LYS  33  12.517   4.158   3.029
  247   2HG   LYS  33           HG1      LYS  33  10.800   3.766   3.120
  248   1HD   LYS  33           HD2      LYS  33  11.163   2.981   5.200
  249   2HD   LYS  33           HD1      LYS  33  12.100   1.675   4.473
  250   1HE   LYS  33           HE2      LYS  33  13.844   3.856   4.453
  251   2HE   LYS  33           HE1      LYS  33  13.026   3.972   6.011
  252   1HZ   LYS  33           HZ1      LYS  33  13.504   1.422   6.053
  253   2HZ   LYS  33           HZ3      LYS  33  14.737   1.832   4.963
  254   3HZ   LYS  33           HZ2      LYS  33  14.705   2.533   6.511
  255    H    GLY  34           HN       GLY  34  10.198   0.031   0.884
  256   1HA   GLY  34           HA2      GLY  34   7.889   0.281   2.613
  257   2HA   GLY  34           HA1      GLY  34   7.423   0.229   0.922
  258    OH   TYR  35           OH       TYR  35   5.568  -2.864   8.598
  259    H    TYR  35           HN       TYR  35   7.419  -1.730   3.408
  260    HA   TYR  35           HA       TYR  35   8.451  -4.069   1.850
  261   1HB   TYR  35           HB2      TYR  35   8.753  -5.257   3.940
  262   2HB   TYR  35           HB1      TYR  35   9.589  -3.719   4.047
  263    HD1  TYR  35           HD1      TYR  35   8.343  -1.740   5.164
  264    HD2  TYR  35           HD2      TYR  35   7.087  -5.836   5.501
  265    HE1  TYR  35           HE1      TYR  35   7.017  -1.176   7.175
  266    HE2  TYR  35           HE2      TYR  35   5.760  -5.264   7.512
  267    HH   TYR  35           HH       TYR  35   6.073  -3.136   9.370
  268    H    CYS  36           HN       CYS  36   7.212  -6.094   3.089
  269    HA   CYS  36           HA       CYS  36   4.306  -5.469   2.694
  270   1HB   CYS  36           HB2      CYS  36   5.886  -7.239   1.274
  271   2HB   CYS  36           HB1      CYS  36   5.079  -8.289   2.439
  272    OH   TYR  37           OH       TYR  37   1.338  -7.447  12.342
  273    H    TYR  37           HN       TYR  37   3.291  -5.464   4.633
  274    HA   TYR  37           HA       TYR  37   4.419  -6.891   6.926
  275   1HB   TYR  37           HB2      TYR  37   3.380  -4.705   7.257
  276   2HB   TYR  37           HB1      TYR  37   1.854  -5.301   6.610
  277    HD1  TYR  37           HD2      TYR  37   4.253  -7.049   8.864
  278    HD2  TYR  37           HD1      TYR  37   0.397  -5.197   8.492
  279    HE1  TYR  37           HE2      TYR  37   3.644  -7.867  11.124
  280    HE2  TYR  37           HE1      TYR  37  -0.213  -6.013  10.753
  281    HH   TYR  37           HH       TYR  37   0.730  -6.815  12.732
  282    CH2  TRP  38           CH2      TRP  38   2.012 -15.891   4.779
  283    H    TRP  38           HN       TRP  38   3.695  -8.813   7.776
  284    HA   TRP  38           HA       TRP  38   1.851 -10.390   6.110
  285   1HB   TRP  38           HB2      TRP  38   3.990 -10.939   7.998
  286   2HB   TRP  38           HB1      TRP  38   2.566 -11.923   8.336
  287    HD1  TRP  38           HD1      TRP  38   5.001 -11.086   5.480
  288    HE1  TRP  38           HE1      TRP  38   4.962 -13.022   3.780
  289    HE3  TRP  38           HE3      TRP  38   1.257 -13.933   7.468
  290    HZ2  TRP  38           HZ2      TRP  38   3.535 -15.451   3.320
  291    HZ3  TRP  38           HZ3      TRP  38   0.578 -16.053   6.378
  292    HH2  TRP  38           HH2      TRP  38   1.713 -16.816   4.309
  293    H    GLY  39           HN       GLY  39   2.035  -9.487   9.593
  294   1HA   GLY  39           HA2      GLY  39  -0.285 -10.561  10.609
  295   2HA   GLY  39           HA1      GLY  39   0.210  -8.914  11.018
  296    H    LYS  40           HN       LYS  40   0.016  -8.009   8.277
  297    HA   LYS  40           HA       LYS  40  -2.910  -8.151   7.751
  298   1HB   LYS  40           HB2      LYS  40  -1.603  -5.905   8.800
  299   2HB   LYS  40           HB1      LYS  40  -1.699  -5.572   7.071
  300   1HG   LYS  40           HG2      LYS  40  -4.196  -6.698   7.962
  301   2HG   LYS  40           HG1      LYS  40  -3.773  -5.328   8.988
  302   1HD   LYS  40           HD2      LYS  40  -3.349  -3.980   6.915
  303   2HD   LYS  40           HD1      LYS  40  -3.960  -5.333   5.963
  304   1HE   LYS  40           HE2      LYS  40  -5.833  -3.898   6.251
  305   2HE   LYS  40           HE1      LYS  40  -6.071  -5.195   7.422
  306   1HZ   LYS  40           HZ3      LYS  40  -4.534  -2.898   8.328
  307   2HZ   LYS  40           HZ2      LYS  40  -6.190  -2.629   8.058
  308   3HZ   LYS  40           HZ1      LYS  40  -5.689  -3.827   9.154
  309    H    VAL  41           HN       VAL  41  -1.947  -9.781   6.236
  310    HA   VAL  41           HA       VAL  41  -0.048  -9.542   4.319
  311    HB   VAL  41           HB       VAL  41  -1.553 -10.813   2.754
  312   1HG1  VAL  41          HG11      VAL  41  -0.838 -11.496   5.521
  313   2HG1  VAL  41          HG13      VAL  41  -2.162 -12.470   4.883
  314   3HG1  VAL  41          HG12      VAL  41  -0.613 -12.428   4.041
  315   1HG2  VAL  41          HG22      VAL  41  -3.538  -9.977   4.857
  316   2HG2  VAL  41          HG21      VAL  41  -3.712  -9.965   3.101
  317   3HG2  VAL  41          HG23      VAL  41  -3.768 -11.491   3.982
  318    H    SER  42           HN       SER  42   0.358  -7.428   3.710
  319    HA   SER  42           HA       SER  42  -0.959  -6.510   1.313
  320   1HB   SER  42           HB2      SER  42  -1.235  -4.519   3.537
  321   2HB   SER  42           HB1      SER  42  -2.165  -4.666   2.048
  322    HG   SER  42           HG       SER  42  -3.498  -5.450   3.576
  323    H    CYS  43           HN       CYS  43   0.224  -4.624   0.434
  324    HA   CYS  43           HA       CYS  43   3.004  -4.655   1.238
  325   1HB   CYS  43           HB2      CYS  43   1.446  -3.565  -0.965
  326   2HB   CYS  43           HB1      CYS  43   2.648  -2.413  -0.393
  327    OH   TYR  44           OH       TYR  44   2.330   2.457   8.242
  328    H    TYR  44           HN       TYR  44   4.136  -2.451   1.585
  329    HA   TYR  44           HA       TYR  44   2.502  -0.480   3.042
  330   1HB   TYR  44           HB2      TYR  44   3.202  -2.406   4.634
  331   2HB   TYR  44           HB1      TYR  44   4.822  -1.727   4.512
  332    HD1  TYR  44           HD2      TYR  44   1.348  -1.069   5.540
  333    HD2  TYR  44           HD1      TYR  44   5.374   0.401   5.550
  334    HE1  TYR  44           HE2      TYR  44   0.709   0.642   7.193
  335    HE2  TYR  44           HE1      TYR  44   4.749   2.116   7.214
  336    HH   TYR  44           HH       TYR  44   2.806   2.273   9.056
  337    H    CYS  45           HN       CYS  45   3.233   1.341   2.039
  338    HA   CYS  45           HA       CYS  45   6.083   1.502   1.256
  339   1HB   CYS  45           HB2      CYS  45   3.724   3.307   0.689
  340   2HB   CYS  45           HB1      CYS  45   5.362   3.662   0.170
  341    OH   TYR  46           OH       TYR  46   6.838   0.647   8.124
  342    H    TYR  46           HN       TYR  46   7.008   3.748   1.486
  343    HA   TYR  46           HA       TYR  46   6.303   5.140   4.000
  344   1HB   TYR  46           HB2      TYR  46   8.975   3.878   3.381
  345   2HB   TYR  46           HB1      TYR  46   8.815   5.191   4.533
  346    HD1  TYR  46           HD2      TYR  46   7.578   4.872   6.623
  347    HD2  TYR  46           HD1      TYR  46   8.167   1.643   3.877
  348    HE1  TYR  46           HE2      TYR  46   6.934   3.270   8.395
  349    HE2  TYR  46           HE1      TYR  46   7.533   0.023   5.647
  350    HH   TYR  46           HH       TYR  46   6.429   1.139   8.839
  351    H    GLY  47           HN       GLY  47   5.661   6.801   2.505
  352   1HA   GLY  47           HA2      GLY  47   7.118   8.971   1.952
  353   2HA   GLY  47           HA1      GLY  47   7.747   7.899   0.704
  354    H    LEU  48           HN       LEU  48   4.397   7.439   1.498
  355    HA   LEU  48           HA       LEU  48   3.607   8.259  -1.182
  356   1HB   LEU  48           HB2      LEU  48   1.882   7.492   1.200
  357   2HB   LEU  48           HB1      LEU  48   1.364   7.550  -0.484
  358    HG   LEU  48           HG       LEU  48   3.534   5.740   0.613
  359   1HD1  LEU  48          HD11      LEU  48   0.860   5.443   1.004
  360   2HD1  LEU  48          HD13      LEU  48   1.041   4.645  -0.558
  361   3HD1  LEU  48          HD12      LEU  48   1.973   4.087   0.831
  362   1HD2  LEU  48          HD21      LEU  48   2.260   6.008  -2.129
  363   2HD2  LEU  48          HD23      LEU  48   3.945   6.323  -1.714
  364   3HD2  LEU  48          HD22      LEU  48   3.315   4.677  -1.655
  365    HA   PRO  49           HA       PRO  49   2.493  12.428  -0.542
  366   1HB   PRO  49           HB2      PRO  49  -0.247  12.130  -1.451
  367   2HB   PRO  49           HB1      PRO  49   1.120  12.867  -2.299
  368   1HG   PRO  49           HG2      PRO  49  -0.106  10.335  -2.862
  369   2HG   PRO  49           HG1      PRO  49   1.318  11.035  -3.641
  370   1HD   PRO  49           HD2      PRO  49   1.226   8.806  -1.816
  371   2HD   PRO  49           HD1      PRO  49   2.653   9.515  -2.598
  372    H    ASP  50           HN       ASP  50   1.364  13.727   1.014
  373    HA   ASP  50           HA       ASP  50   0.551  12.463   3.374
  374   1HB   ASP  50           HB2      ASP  50   0.516  15.191   2.277
  375   2HB   ASP  50           HB1      ASP  50  -0.668  14.883   3.539
  376    H    ASN  51           HN       ASN  51  -1.450  13.971   0.893
  377    HA   ASN  51           HA       ASN  51  -3.894  13.054   2.104
  378   1HB   ASN  51           HB2      ASN  51  -4.949  14.179   0.258
  379   2HB   ASN  51           HB1      ASN  51  -3.651  15.202   0.846
  380   1HD2  ASN  51          HD22      ASN  51  -3.277  15.071  -2.836
  381   2HD2  ASN  51          HD21      ASN  51  -4.412  15.689  -1.735
  382    H    SER  52           HN       SER  52  -1.606  11.387   0.400
  383    HA   SER  52           HA       SER  52  -3.053  10.047  -1.636
  384   1HB   SER  52           HB2      SER  52  -1.054   9.053  -1.881
  385   2HB   SER  52           HB1      SER  52  -0.520   9.772  -0.369
  386    HG   SER  52           HG       SER  52  -0.833   7.260  -0.822
  387    HA   PRO  53           HA       PRO  53  -6.094   8.054   0.970
  388   1HB   PRO  53           HB2      PRO  53  -6.918   6.487  -1.303
  389   2HB   PRO  53           HB1      PRO  53  -7.744   7.873  -0.579
  390   1HG   PRO  53           HG2      PRO  53  -6.347   7.789  -3.090
  391   2HG   PRO  53           HG1      PRO  53  -7.133   9.184  -2.340
  392   1HD   PRO  53           HD2      PRO  53  -4.301   8.672  -2.609
  393   2HD   PRO  53           HD1      PRO  53  -5.096  10.090  -1.895
  394    H    THR  54           HN       THR  54  -5.789   6.225   2.200
  395    HA   THR  54           HA       THR  54  -4.319   3.927   0.980
  396    HB   THR  54           HB       THR  54  -3.042   3.656   3.024
  397    HG1  THR  54           HG1      THR  54  -4.909   5.499   3.925
  398   1HG2  THR  54          HG21      THR  54  -2.693   5.663   1.222
  399   2HG2  THR  54          HG23      THR  54  -2.775   6.583   2.725
  400   3HG2  THR  54          HG22      THR  54  -1.564   5.315   2.531
  401    H    LYS  55           HN       LYS  55  -4.662   1.884   2.337
  402    HA   LYS  55           HA       LYS  55  -7.422   1.355   2.620
  403   1HB   LYS  55           HB2      LYS  55  -5.714  -0.390   2.210
  404   2HB   LYS  55           HB1      LYS  55  -5.101  -0.158   3.847
  405   1HG   LYS  55           HG2      LYS  55  -6.626  -2.070   3.811
  406   2HG   LYS  55           HG1      LYS  55  -7.357  -0.756   4.734
  407   1HD   LYS  55           HD2      LYS  55  -9.034  -0.474   3.230
  408   2HD   LYS  55           HD1      LYS  55  -7.949  -0.663   1.853
  409   1HE   LYS  55           HE2      LYS  55  -8.016  -3.066   2.033
  410   2HE   LYS  55           HE1      LYS  55  -8.880  -2.980   3.568
  411   1HZ   LYS  55           HZ1      LYS  55  -9.930  -1.933   0.998
  412   2HZ   LYS  55           HZ3      LYS  55 -10.326  -3.451   1.643
  413   3HZ   LYS  55           HZ2      LYS  55 -10.761  -2.037   2.475
  414    H    THR  56           HN       THR  56  -8.795   1.474   4.351
  415    HA   THR  56           HA       THR  56  -7.705   1.936   7.060
  416    HB   THR  56           HB       THR  56  -9.613   3.827   5.666
  417    HG1  THR  56           HG1      THR  56  -7.015   3.820   5.871
  418   1HG2  THR  56          HG22      THR  56  -9.733   3.060   8.313
  419   2HG2  THR  56          HG21      THR  56  -8.701   4.489   8.376
  420   3HG2  THR  56          HG23      THR  56 -10.316   4.599   7.676
  421    H    SER  57           HN       SER  57 -10.906   2.411   5.704
  422    HA   SER  57           HA       SER  57 -11.821  -0.028   7.079
  423   1HB   SER  57           HB2      SER  57 -13.793   1.136   7.928
  424   2HB   SER  57           HB1      SER  57 -12.338   1.951   8.494
  425    HG   SER  57           HG       SER  57 -12.735   3.599   7.186
  426    H    GLY  58           HN       GLY  58 -11.479  -0.507   4.603
  427   1HA   GLY  58           HA2      GLY  58 -14.133  -0.102   3.294
  428   2HA   GLY  58           HA1      GLY  58 -12.645   0.126   2.374
  429    H    LYS  59           HN       LYS  59 -13.833  -1.689   1.096
  430    HA   LYS  59           HA       LYS  59 -12.854  -4.304   2.163
  431   1HB   LYS  59           HB2      LYS  59 -15.566  -3.534   1.307
  432   2HB   LYS  59           HB1      LYS  59 -14.971  -5.017   0.560
  433   1HG   LYS  59           HG2      LYS  59 -14.198  -5.527   3.064
  434   2HG   LYS  59           HG1      LYS  59 -15.532  -4.435   3.435
  435   1HD   LYS  59           HD2      LYS  59 -16.831  -5.923   1.683
  436   2HD   LYS  59           HD1      LYS  59 -15.596  -7.115   2.093
  437   1HE   LYS  59           HE2      LYS  59 -16.891  -7.638   3.872
  438   2HE   LYS  59           HE1      LYS  59 -16.364  -6.104   4.566
  439   1HZ   LYS  59           HZ3      LYS  59 -18.246  -5.047   3.370
  440   2HZ   LYS  59           HZ2      LYS  59 -18.794  -6.596   2.935
  441   3HZ   LYS  59           HZ1      LYS  59 -18.727  -6.144   4.572
  442    H    CYS  60           HN       CYS  60 -11.989  -2.160   0.077
  443    HA   CYS  60           HA       CYS  60 -10.929  -2.199  -2.016
  444   1HB   CYS  60           HB2      CYS  60  -9.643  -4.030  -1.032
  445   2HB   CYS  60           HB1      CYS  60 -10.929  -5.174  -1.416
  446    H    ASN  61           HN       ASN  61 -12.231  -1.650  -3.716
  447    HA   ASN  61           HA       ASN  61 -14.419  -3.525  -4.463
  448   1HB   ASN  61           HB2      ASN  61 -15.099  -1.204  -4.041
  449   2HB   ASN  61           HB1      ASN  61 -13.950  -0.635  -5.252
  450   1HD2  ASN  61          HD22      ASN  61 -17.554  -1.482  -6.550
  451   2HD2  ASN  61          HD21      ASN  61 -17.139  -0.933  -4.998
  452    HA   PRO  62           HA       PRO  62 -12.097  -4.843  -7.974
  453   1HB   PRO  62           HB2      PRO  62 -14.458  -5.554  -9.424
  454   2HB   PRO  62           HB1      PRO  62 -13.408  -6.624  -8.487
  455   1HG   PRO  62           HG2      PRO  62 -16.076  -5.736  -7.822
  456   2HG   PRO  62           HG1      PRO  62 -15.037  -6.840  -6.911
  457   1HD   PRO  62           HD2      PRO  62 -15.705  -4.105  -6.272
  458   2HD   PRO  62           HD1      PRO  62 -14.674  -5.222  -5.353
  459    H    ALA  63           HN       ALA  63 -11.601  -4.029 -10.068
  460    HA   ALA  63           HA       ALA  63 -11.448  -2.279 -11.641
  461   1HB   ALA  63           HB3      ALA  63 -13.437  -3.699 -12.394
  462   2HB   ALA  63           HB2      ALA  63 -14.468  -2.475 -11.652
  463   3HB   ALA  63           HB1      ALA  63 -13.406  -2.039 -12.991
   
  Start of MODEL           7
 Raw file had  463 H/Q atoms
  Start of MODEL    7
    1   1H    LYS   1           HT3      LYS   1   4.433  13.593   3.453
    2   2H    LYS   1           HT2      LYS   1   5.942  13.516   2.674
    3   3H    LYS   1           HT1      LYS   1   4.536  13.851   1.780
    4    HA   LYS   1           HA       LYS   1   3.901  11.708   1.665
    5   1HB   LYS   1           HB2      LYS   1   6.853  11.536   2.347
    6   2HB   LYS   1           HB1      LYS   1   5.919  10.194   1.693
    7   1HG   LYS   1           HG2      LYS   1   6.649  11.059  -0.302
    8   2HG   LYS   1           HG1      LYS   1   5.238  12.098  -0.088
    9   1HD   LYS   1           HD2      LYS   1   6.526  13.915   0.654
   10   2HD   LYS   1           HD1      LYS   1   7.890  12.888   1.100
   11   1HE   LYS   1           HE2      LYS   1   7.039  12.969  -1.771
   12   2HE   LYS   1           HE1      LYS   1   7.965  14.325  -1.127
   13   1HZ   LYS   1           HZ3      LYS   1   9.233  12.087  -0.184
   14   2HZ   LYS   1           HZ2      LYS   1   8.836  11.696  -1.789
   15   3HZ   LYS   1           HZ1      LYS   1   9.758  13.083  -1.453
   16    H    LYS   2           HN       LYS   2   4.190   9.397   2.799
   17    HA   LYS   2           HA       LYS   2   4.674   9.385   5.640
   18   1HB   LYS   2           HB2      LYS   2   2.494   9.361   6.534
   19   2HB   LYS   2           HB1      LYS   2   2.446  10.673   5.360
   20   1HG   LYS   2           HG2      LYS   2   1.597   7.848   4.675
   21   2HG   LYS   2           HG1      LYS   2   0.476   9.058   5.293
   22   1HD   LYS   2           HD2      LYS   2   0.922  10.522   3.415
   23   2HD   LYS   2           HD1      LYS   2   2.197   9.450   2.832
   24   1HE   LYS   2           HE2      LYS   2   0.446   8.721   1.509
   25   2HE   LYS   2           HE1      LYS   2   0.231   7.657   2.900
   26   1HZ   LYS   2           HZ2      LYS   2  -1.062  10.096   3.405
   27   2HZ   LYS   2           HZ1      LYS   2  -1.561   9.531   1.882
   28   3HZ   LYS   2           HZ3      LYS   2  -1.745   8.548   3.252
   29    H    ASP   3           HN       ASP   3   4.128   7.229   6.600
   30    HA   ASP   3           HA       ASP   3   4.459   5.104   4.574
   31   1HB   ASP   3           HB2      ASP   3   4.200   4.435   7.444
   32   2HB   ASP   3           HB1      ASP   3   5.411   3.901   6.282
   33    H    GLY   4           HN       GLY   4   3.035   3.101   4.818
   34   1HA   GLY   4           HA2      GLY   4   0.806   2.721   6.332
   35   2HA   GLY   4           HA1      GLY   4   0.243   3.987   5.247
   36    OH   TYR   5           OH       TYR   5   0.439  -3.174   8.070
   37    H    TYR   5           HN       TYR   5  -1.295   2.070   4.833
   38    HA   TYR   5           HA       TYR   5  -0.159   0.118   2.907
   39   1HB   TYR   5           HB2      TYR   5  -2.871   0.293   4.244
   40   2HB   TYR   5           HB1      TYR   5  -2.400  -0.969   3.105
   41    HD1  TYR   5           HD1      TYR   5  -0.418  -2.443   3.655
   42    HD2  TYR   5           HD2      TYR   5  -2.200   0.204   6.525
   43    HE1  TYR   5           HE1      TYR   5   0.660  -3.714   5.488
   44    HE2  TYR   5           HE2      TYR   5  -1.117  -1.061   8.364
   45    HH   TYR   5           HH       TYR   5   1.077  -3.777   7.682
   46    HA   PRO   6           HA       PRO   6  -1.614   3.076  -0.176
   47   1HB   PRO   6           HB2      PRO   6  -0.635   1.244  -2.176
   48   2HB   PRO   6           HB1      PRO   6   0.056   2.797  -1.687
   49   1HG   PRO   6           HG2      PRO   6   1.096   0.180  -1.126
   50   2HG   PRO   6           HG1      PRO   6   1.736   1.735  -0.579
   51   1HD   PRO   6           HD2      PRO   6   0.348  -0.268   0.981
   52   2HD   PRO   6           HD1      PRO   6   1.056   1.261   1.538
   53    H    VAL   7           HN       VAL   7  -3.838   2.887  -0.341
   54    HA   VAL   7           HA       VAL   7  -4.941   0.283  -1.285
   55    HB   VAL   7           HB       VAL   7  -7.116   1.147  -0.522
   56   1HG1  VAL   7          HG12      VAL   7  -4.838   1.377   1.460
   57   2HG1  VAL   7          HG11      VAL   7  -6.539   1.309   1.922
   58   3HG1  VAL   7          HG13      VAL   7  -5.792  -0.063   1.102
   59   1HG2  VAL   7          HG21      VAL   7  -6.041   3.627  -0.896
   60   2HG2  VAL   7          HG23      VAL   7  -7.482   3.319   0.071
   61   3HG2  VAL   7          HG22      VAL   7  -5.910   3.469   0.854
   62    H    ASP   8           HN       ASP   8  -6.100   0.156  -3.210
   63    HA   ASP   8           HA       ASP   8  -5.542   2.094  -5.243
   64   1HB   ASP   8           HB2      ASP   8  -7.374   0.825  -6.514
   65   2HB   ASP   8           HB1      ASP   8  -5.998  -0.133  -5.968
   66    H    SER   9           HN       SER   9  -7.922   2.591  -6.564
   67    HA   SER   9           HA       SER   9  -8.968   4.813  -5.050
   68   1HB   SER   9           HB2      SER   9 -10.257   5.291  -6.965
   69   2HB   SER   9           HB1      SER   9  -8.828   4.502  -7.624
   70    HG   SER   9           HG       SER   9 -11.410   3.436  -7.175
   71    H    GLY  10           HN       GLY  10  -9.583   1.526  -4.845
   72   1HA   GLY  10           HA2      GLY  10 -12.401   1.949  -3.972
   73   2HA   GLY  10           HA1      GLY  10 -11.702   0.385  -4.392
   74    H    ASN  11           HN       ASN  11  -9.403   2.013  -2.641
   75    HA   ASN  11           HA       ASN  11  -8.786   2.016  -0.363
   76   1HB   ASN  11           HB2      ASN  11 -11.578   2.102  -0.263
   77   2HB   ASN  11           HB1      ASN  11 -11.148   0.724   0.749
   78   1HD2  ASN  11          HD22      ASN  11 -10.688   4.366   2.268
   79   2HD2  ASN  11          HD21      ASN  11 -11.682   3.990   0.945
   80    H    CYS  12           HN       CYS  12  -7.865  -0.003  -1.905
   81    HA   CYS  12           HA       CYS  12  -8.142  -2.391  -0.128
   82   1HB   CYS  12           HB2      CYS  12  -8.512  -2.163  -3.022
   83   2HB   CYS  12           HB1      CYS  12  -7.329  -3.390  -2.575
   84    H    LYS  13           HN       LYS  13  -6.233  -2.478   0.967
   85    HA   LYS  13           HA       LYS  13  -3.788  -1.314   0.013
   86   1HB   LYS  13           HB2      LYS  13  -2.732  -2.574   1.897
   87   2HB   LYS  13           HB1      LYS  13  -4.146  -1.651   2.400
   88   1HG   LYS  13           HG2      LYS  13  -5.511  -3.767   2.073
   89   2HG   LYS  13           HG1      LYS  13  -3.985  -4.627   1.881
   90   1HD   LYS  13           HD2      LYS  13  -3.809  -4.757   4.122
   91   2HD   LYS  13           HD1      LYS  13  -3.724  -2.997   4.190
   92   1HE   LYS  13           HE2      LYS  13  -6.198  -4.732   4.338
   93   2HE   LYS  13           HE1      LYS  13  -5.576  -3.631   5.569
   94   1HZ   LYS  13           HZ1      LYS  13  -5.908  -2.186   3.203
   95   2HZ   LYS  13           HZ3      LYS  13  -7.334  -3.068   3.461
   96   3HZ   LYS  13           HZ2      LYS  13  -6.751  -2.021   4.665
   97    OH   TYR  14           OH       TYR  14  -3.353   1.396  -5.518
   98    H    TYR  14           HN       TYR  14  -2.723  -2.072  -1.731
   99    HA   TYR  14           HA       TYR  14  -3.044  -4.469  -3.080
  100   1HB   TYR  14           HB2      TYR  14  -0.341  -3.159  -2.720
  101   2HB   TYR  14           HB1      TYR  14  -0.927  -4.060  -4.121
  102    HD1  TYR  14           HD1      TYR  14  -3.421  -3.115  -4.873
  103    HD2  TYR  14           HD2      TYR  14  -0.252  -0.855  -3.054
  104    HE1  TYR  14           HE1      TYR  14  -4.359  -1.031  -5.832
  105    HE2  TYR  14           HE2      TYR  14  -1.189   1.227  -4.013
  106    HH   TYR  14           HH       TYR  14  -3.962   1.153  -6.219
  107    H    GLU  15           HN       GLU  15  -2.549  -6.570  -2.692
  108    HA   GLU  15           HA       GLU  15  -1.185  -7.257  -0.160
  109   1HB   GLU  15           HB2      GLU  15  -2.839  -8.719  -2.183
  110   2HB   GLU  15           HB1      GLU  15  -1.779  -9.642  -1.120
  111   1HG   GLU  15           HG2      GLU  15  -3.126  -7.754   0.511
  112   2HG   GLU  15           HG1      GLU  15  -4.347  -8.486  -0.529
  113    H    CYS  16           HN       CYS  16   0.608  -8.826  -0.151
  114    HA   CYS  16           HA       CYS  16   1.939  -9.497  -2.638
  115   1HB   CYS  16           HB2      CYS  16   3.349  -7.776  -2.843
  116   2HB   CYS  16           HB1      CYS  16   2.496  -6.980  -1.534
  117    H    LEU  17           HN       LEU  17   4.190 -10.526  -2.073
  118    HA   LEU  17           HA       LEU  17   3.902 -11.977   0.530
  119   1HB   LEU  17           HB2      LEU  17   5.042 -13.201  -1.985
  120   2HB   LEU  17           HB1      LEU  17   4.509 -14.023  -0.519
  121    HG   LEU  17           HG       LEU  17   2.271 -12.566  -1.375
  122   1HD1  LEU  17          HD11      LEU  17   3.575 -12.346  -3.559
  123   2HD1  LEU  17          HD13      LEU  17   3.427 -14.097  -3.714
  124   3HD1  LEU  17          HD12      LEU  17   1.981 -13.089  -3.692
  125   1HD2  LEU  17          HD21      LEU  17   3.083 -15.471  -1.628
  126   2HD2  LEU  17          HD23      LEU  17   2.105 -14.735  -0.359
  127   3HD2  LEU  17          HD22      LEU  17   1.454 -14.899  -1.990
  128    H    LYS  18           HN       LYS  18   6.156 -10.859  -1.992
  129    HA   LYS  18           HA       LYS  18   8.397 -11.273  -0.073
  130   1HB   LYS  18           HB2      LYS  18   8.170 -11.697  -2.850
  131   2HB   LYS  18           HB1      LYS  18   9.217 -10.290  -2.668
  132   1HG   LYS  18           HG2      LYS  18  10.570 -12.331  -2.615
  133   2HG   LYS  18           HG1      LYS  18  10.597 -11.557  -1.030
  134   1HD   LYS  18           HD2      LYS  18   8.612 -13.095  -0.442
  135   2HD   LYS  18           HD1      LYS  18   9.050 -14.005  -1.888
  136   1HE   LYS  18           HE2      LYS  18  10.890 -14.903  -0.910
  137   2HE   LYS  18           HE1      LYS  18  11.341 -13.376  -0.152
  138   1HZ   LYS  18           HZ2      LYS  18   8.959 -14.409   0.994
  139   2HZ   LYS  18           HZ1      LYS  18  10.203 -15.564   1.075
  140   3HZ   LYS  18           HZ3      LYS  18  10.433 -14.024   1.748
  141    H    ASP  19           HN       ASP  19   9.792  -9.546   0.446
  142    HA   ASP  19           HA       ASP  19   8.556  -6.995   0.774
  143   1HB   ASP  19           HB2      ASP  19  10.243  -7.528   2.330
  144   2HB   ASP  19           HB1      ASP  19  11.375  -8.018   1.071
  145    H    ASP  20           HN       ASP  20  10.468  -8.327  -1.843
  146    HA   ASP  20           HA       ASP  20  11.315  -5.852  -3.007
  147   1HB   ASP  20           HB2      ASP  20  11.741  -7.219  -4.975
  148   2HB   ASP  20           HB1      ASP  20  12.261  -8.096  -3.549
  149    OH   TYR  21           OH       TYR  21   1.482  -5.742  -7.487
  150    H    TYR  21           HN       TYR  21   8.316  -7.762  -3.334
  151    HA   TYR  21           HA       TYR  21   7.343  -6.223  -5.569
  152   1HB   TYR  21           HB2      TYR  21   6.372  -8.434  -4.906
  153   2HB   TYR  21           HB1      TYR  21   5.701  -7.668  -3.466
  154    HD1  TYR  21           HD1      TYR  21   5.852  -5.417  -6.252
  155    HD2  TYR  21           HD2      TYR  21   3.487  -8.558  -4.517
  156    HE1  TYR  21           HE1      TYR  21   3.886  -4.653  -7.550
  157    HE2  TYR  21           HE2      TYR  21   1.521  -7.783  -5.812
  158    HH   TYR  21           HH       TYR  21   1.572  -6.068  -8.386
  159    H    CYS  22           HN       CYS  22   7.347  -5.777  -2.098
  160    HA   CYS  22           HA       CYS  22   5.410  -3.619  -2.076
  161   1HB   CYS  22           HB2      CYS  22   7.554  -4.489  -0.128
  162   2HB   CYS  22           HB1      CYS  22   6.518  -3.098   0.167
  163    H    ASN  23           HN       ASN  23   8.966  -3.736  -2.005
  164    HA   ASN  23           HA       ASN  23   9.450  -0.944  -1.952
  165   1HB   ASN  23           HB2      ASN  23  11.153  -2.817  -1.782
  166   2HB   ASN  23           HB1      ASN  23  11.036  -3.024  -3.518
  167   1HD2  ASN  23          HD22      ASN  23  13.364  -0.447  -4.082
  168   2HD2  ASN  23          HD21      ASN  23  12.686  -1.922  -4.581
  169    H    ASP  24           HN       ASP  24   9.162  -3.123  -4.717
  170    HA   ASP  24           HA       ASP  24   9.359  -1.138  -6.763
  171   1HB   ASP  24           HB2      ASP  24   9.453  -3.496  -7.333
  172   2HB   ASP  24           HB1      ASP  24   7.830  -3.757  -6.710
  173    H    LEU  25           HN       LEU  25   6.316  -2.817  -6.150
  174    HA   LEU  25           HA       LEU  25   4.508  -1.034  -7.177
  175   1HB   LEU  25           HB2      LEU  25   3.666  -3.056  -6.269
  176   2HB   LEU  25           HB1      LEU  25   4.376  -2.744  -4.691
  177    HG   LEU  25           HG       LEU  25   2.649  -0.575  -5.113
  178   1HD1  LEU  25          HD12      LEU  25   1.774  -2.915  -6.622
  179   2HD1  LEU  25          HD11      LEU  25   0.604  -2.460  -5.383
  180   3HD1  LEU  25          HD13      LEU  25   1.100  -1.286  -6.601
  181   1HD2  LEU  25          HD23      LEU  25   3.132  -2.616  -3.241
  182   2HD2  LEU  25          HD22      LEU  25   2.046  -1.242  -3.033
  183   3HD2  LEU  25          HD21      LEU  25   1.423  -2.773  -3.647
  184    H    CYS  26           HN       CYS  26   6.314  -0.642  -4.201
  185    HA   CYS  26           HA       CYS  26   4.856   1.549  -3.136
  186   1HB   CYS  26           HB2      CYS  26   7.520   0.280  -2.726
  187   2HB   CYS  26           HB1      CYS  26   7.304   1.883  -2.081
  188    H    LEU  27           HN       LEU  27   7.915   1.415  -4.947
  189    HA   LEU  27           HA       LEU  27   8.351   4.157  -5.262
  190   1HB   LEU  27           HB2      LEU  27   9.013   1.777  -7.007
  191   2HB   LEU  27           HB1      LEU  27   9.520   3.412  -7.436
  192    HG   LEU  27           HG       LEU  27  10.122   2.120  -4.764
  193   1HD1  LEU  27          HD11      LEU  27  11.679   2.208  -7.349
  194   2HD1  LEU  27          HD13      LEU  27  12.496   2.062  -5.793
  195   3HD1  LEU  27          HD12      LEU  27  11.355   0.820  -6.309
  196   1HD2  LEU  27          HD22      LEU  27  10.116   4.756  -5.418
  197   2HD2  LEU  27          HD21      LEU  27  11.226   4.054  -4.242
  198   3HD2  LEU  27          HD23      LEU  27  11.755   4.321  -5.902
  199    H    GLU  28           HN       GLU  28   6.178   1.971  -6.950
  200    HA   GLU  28           HA       GLU  28   5.517   3.606  -9.150
  201   1HB   GLU  28           HB2      GLU  28   4.746   1.326  -9.129
  202   2HB   GLU  28           HB1      GLU  28   3.880   1.585  -7.615
  203   1HG   GLU  28           HG2      GLU  28   2.206   1.688  -9.300
  204   2HG   GLU  28           HG1      GLU  28   2.529   3.370  -8.880
  205    NH1  ARG  29           NH2      ARG  29  -0.914   2.656  -6.258
  206    NH2  ARG  29           NH1      ARG  29   0.112   1.174  -7.621
  207    H    ARG  29           HN       ARG  29   4.039   3.349  -5.969
  208    HA   ARG  29           HA       ARG  29   2.179   5.487  -6.407
  209   1HB   ARG  29           HB2      ARG  29   3.076   3.886  -4.062
  210   2HB   ARG  29           HB1      ARG  29   2.252   5.413  -3.744
  211   1HG   ARG  29           HG2      ARG  29   0.272   4.453  -4.194
  212   2HG   ARG  29           HG1      ARG  29   0.830   4.044  -5.817
  213   1HD   ARG  29           HD2      ARG  29   2.056   2.285  -3.899
  214   2HD   ARG  29           HD1      ARG  29   0.310   2.262  -3.679
  215    HE   ARG  29           HE       ARG  29   1.699   0.956  -5.770
  216   1HH1  ARG  29          HH21      ARG  29  -0.974   3.133  -5.384
  217   2HH1  ARG  29          HH22      ARG  29  -1.618   2.801  -6.955
  218   1HH2  ARG  29          HH11      ARG  29   0.848   0.518  -7.792
  219   2HH2  ARG  29          HH12      ARG  29  -0.597   1.321  -8.311
  220    H    LYS  30           HN       LYS  30   5.489   5.411  -5.749
  221    HA   LYS  30           HA       LYS  30   6.871   7.403  -5.941
  222   1HB   LYS  30           HB2      LYS  30   6.147   9.546  -5.368
  223   2HB   LYS  30           HB1      LYS  30   4.652   8.812  -5.936
  224   1HG   LYS  30           HG2      LYS  30   3.770   9.454  -3.942
  225   2HG   LYS  30           HG1      LYS  30   4.685   8.115  -3.255
  226   1HD   LYS  30           HD2      LYS  30   5.037  10.348  -2.102
  227   2HD   LYS  30           HD1      LYS  30   6.510   9.564  -2.653
  228   1HE   LYS  30           HE2      LYS  30   5.268  11.321  -4.666
  229   2HE   LYS  30           HE1      LYS  30   5.841  12.159  -3.224
  230   1HZ   LYS  30           HZ3      LYS  30   7.735  10.233  -4.012
  231   2HZ   LYS  30           HZ2      LYS  30   7.355  11.213  -5.347
  232   3HZ   LYS  30           HZ1      LYS  30   7.915  11.916  -3.906
  233    H    ALA  31           HN       ALA  31   5.810   5.425  -3.579
  234    HA   ALA  31           HA       ALA  31   6.899   6.652  -1.218
  235   1HB   ALA  31           HB1      ALA  31   5.460   4.367  -1.713
  236   2HB   ALA  31           HB3      ALA  31   7.054   3.719  -1.327
  237   3HB   ALA  31           HB2      ALA  31   6.224   4.762  -0.173
  238    H    ASP  32           HN       ASP  32   8.906   6.394  -0.269
  239    HA   ASP  32           HA       ASP  32  11.156   6.139  -2.007
  240   1HB   ASP  32           HB2      ASP  32  10.871   7.421   0.253
  241   2HB   ASP  32           HB1      ASP  32  11.321   5.884   0.978
  242    H    LYS  33           HN       LYS  33  10.059   4.168   0.741
  243    HA   LYS  33           HA       LYS  33  11.060   1.739  -0.658
  244   1HB   LYS  33           HB2      LYS  33  11.915   1.097   1.794
  245   2HB   LYS  33           HB1      LYS  33  12.952   1.962   0.660
  246   1HG   LYS  33           HG2      LYS  33  12.928   3.847   1.908
  247   2HG   LYS  33           HG1      LYS  33  11.190   3.738   2.188
  248   1HD   LYS  33           HD2      LYS  33  11.460   2.283   4.035
  249   2HD   LYS  33           HD1      LYS  33  13.124   1.896   3.593
  250   1HE   LYS  33           HE2      LYS  33  12.322   4.722   4.263
  251   2HE   LYS  33           HE1      LYS  33  12.746   3.574   5.534
  252   1HZ   LYS  33           HZ3      LYS  33  14.784   3.155   3.977
  253   2HZ   LYS  33           HZ2      LYS  33  14.428   4.722   3.424
  254   3HZ   LYS  33           HZ1      LYS  33  14.780   4.456   5.065
  255    H    GLY  34           HN       GLY  34  10.240  -0.275   0.542
  256   1HA   GLY  34           HA2      GLY  34   8.151   0.010   2.496
  257   2HA   GLY  34           HA1      GLY  34   7.460  -0.136   0.887
  258    OH   TYR  35           OH       TYR  35   7.291  -1.444   8.528
  259    H    TYR  35           HN       TYR  35   7.709  -1.988   3.376
  260    HA   TYR  35           HA       TYR  35   8.734  -4.346   1.848
  261   1HB   TYR  35           HB2      TYR  35   8.814  -5.451   4.162
  262   2HB   TYR  35           HB1      TYR  35  10.039  -4.241   3.821
  263    HD1  TYR  35           HD1      TYR  35   6.505  -4.334   5.099
  264    HD2  TYR  35           HD2      TYR  35  10.462  -2.713   5.513
  265    HE1  TYR  35           HE1      TYR  35   5.772  -3.048   7.086
  266    HE2  TYR  35           HE2      TYR  35   9.727  -1.425   7.500
  267    HH   TYR  35           HH       TYR  35   7.290  -2.041   9.280
  268    H    CYS  36           HN       CYS  36   7.521  -6.410   2.997
  269    HA   CYS  36           HA       CYS  36   4.640  -5.774   2.576
  270   1HB   CYS  36           HB2      CYS  36   6.185  -7.690   1.397
  271   2HB   CYS  36           HB1      CYS  36   5.427  -8.613   2.693
  272    OH   TYR  37           OH       TYR  37   2.464  -5.618  12.529
  273    H    TYR  37           HN       TYR  37   3.646  -5.365   4.443
  274    HA   TYR  37           HA       TYR  37   4.520  -6.514   6.955
  275   1HB   TYR  37           HB2      TYR  37   3.249  -4.295   6.594
  276   2HB   TYR  37           HB1      TYR  37   1.804  -5.289   6.436
  277    HD1  TYR  37           HD2      TYR  37   4.752  -4.759   8.683
  278    HD2  TYR  37           HD1      TYR  37   0.637  -5.940   8.371
  279    HE1  TYR  37           HE2      TYR  37   4.611  -4.925  11.153
  280    HE2  TYR  37           HE1      TYR  37   0.494  -6.106  10.838
  281    HH   TYR  37           HH       TYR  37   3.357  -5.601  12.880
  282    CH2  TRP  38           CH2      TRP  38   3.356 -15.611   3.726
  283    H    TRP  38           HN       TRP  38   4.465  -8.737   6.766
  284    HA   TRP  38           HA       TRP  38   2.453 -10.257   5.509
  285   1HB   TRP  38           HB2      TRP  38   4.654 -10.783   7.380
  286   2HB   TRP  38           HB1      TRP  38   3.306 -11.910   7.541
  287    HD1  TRP  38           HD1      TRP  38   5.612 -10.481   4.793
  288    HE1  TRP  38           HE1      TRP  38   5.831 -12.260   2.938
  289    HE3  TRP  38           HE3      TRP  38   2.377 -14.003   6.570
  290    HZ2  TRP  38           HZ2      TRP  38   4.769 -14.839   2.295
  291    HZ3  TRP  38           HZ3      TRP  38   1.994 -16.107   5.320
  292    HH2  TRP  38           HH2      TRP  38   3.184 -16.531   3.186
  293    H    GLY  39           HN       GLY  39   2.604 -11.059   8.904
  294   1HA   GLY  39           HA2      GLY  39   0.738 -11.444  10.321
  295   2HA   GLY  39           HA1      GLY  39   0.533  -9.705  10.096
  296    H    LYS  40           HN       LYS  40   0.293 -11.928   7.412
  297    HA   LYS  40           HA       LYS  40  -1.461 -12.321   5.923
  298   1HB   LYS  40           HB2      LYS  40  -2.655 -12.639   8.651
  299   2HB   LYS  40           HB1      LYS  40  -3.717 -12.699   7.242
  300   1HG   LYS  40           HG2      LYS  40  -1.717 -14.302   6.373
  301   2HG   LYS  40           HG1      LYS  40  -1.615 -14.611   8.107
  302   1HD   LYS  40           HD2      LYS  40  -3.227 -16.162   7.590
  303   2HD   LYS  40           HD1      LYS  40  -4.280 -14.767   7.821
  304   1HE   LYS  40           HE2      LYS  40  -3.609 -14.414   5.221
  305   2HE   LYS  40           HE1      LYS  40  -3.528 -16.174   5.320
  306   1HZ   LYS  40           HZ3      LYS  40  -5.830 -14.696   6.425
  307   2HZ   LYS  40           HZ2      LYS  40  -5.765 -15.094   4.774
  308   3HZ   LYS  40           HZ1      LYS  40  -5.739 -16.321   5.949
  309    H    VAL  41           HN       VAL  41  -0.923  -9.713   5.706
  310    HA   VAL  41           HA       VAL  41  -3.633  -8.523   5.596
  311    HB   VAL  41           HB       VAL  41  -2.891  -7.527   7.600
  312   1HG1  VAL  41          HG12      VAL  41  -0.312  -7.936   6.445
  313   2HG1  VAL  41          HG11      VAL  41  -0.447  -6.255   6.939
  314   3HG1  VAL  41          HG13      VAL  41  -0.709  -7.544   8.116
  315   1HG2  VAL  41          HG21      VAL  41  -3.537  -5.995   5.506
  316   2HG2  VAL  41          HG23      VAL  41  -3.072  -5.292   7.055
  317   3HG2  VAL  41          HG22      VAL  41  -1.892  -5.407   5.749
  318    H    SER  42           HN       SER  42  -0.414  -6.966   4.875
  319    HA   SER  42           HA       SER  42  -0.729  -7.389   2.026
  320   1HB   SER  42           HB2      SER  42  -2.239  -5.238   3.236
  321   2HB   SER  42           HB1      SER  42  -1.104  -4.630   2.039
  322    HG   SER  42           HG       SER  42  -3.271  -6.368   1.756
  323    H    CYS  43           HN       CYS  43   0.345  -5.115   0.984
  324    HA   CYS  43           HA       CYS  43   3.165  -5.304   1.651
  325   1HB   CYS  43           HB2      CYS  43   1.502  -4.146  -0.431
  326   2HB   CYS  43           HB1      CYS  43   2.726  -2.995   0.091
  327    OH   TYR  44           OH       TYR  44   2.878   2.317   8.246
  328    H    TYR  44           HN       TYR  44   4.266  -2.903   1.714
  329    HA   TYR  44           HA       TYR  44   2.765  -0.988   3.344
  330   1HB   TYR  44           HB2      TYR  44   3.700  -2.794   4.956
  331   2HB   TYR  44           HB1      TYR  44   5.267  -2.051   4.637
  332    HD1  TYR  44           HD2      TYR  44   1.886  -1.502   5.982
  333    HD2  TYR  44           HD1      TYR  44   5.789   0.215   5.444
  334    HE1  TYR  44           HE2      TYR  44   1.294   0.317   7.540
  335    HE2  TYR  44           HE1      TYR  44   5.195   2.036   7.009
  336    HH   TYR  44           HH       TYR  44   2.924   1.971   9.140
  337    H    CYS  45           HN       CYS  45   3.380   0.953   2.546
  338    HA   CYS  45           HA       CYS  45   6.096   1.167   1.347
  339   1HB   CYS  45           HB2      CYS  45   3.641   2.898   1.020
  340   2HB   CYS  45           HB1      CYS  45   5.209   3.284   0.332
  341    OH   TYR  46           OH       TYR  46   7.168   0.867   8.500
  342    H    TYR  46           HN       TYR  46   6.992   3.416   1.480
  343    HA   TYR  46           HA       TYR  46   6.548   4.790   4.063
  344   1HB   TYR  46           HB2      TYR  46   9.055   3.356   3.220
  345   2HB   TYR  46           HB1      TYR  46   9.170   4.787   4.240
  346    HD1  TYR  46           HD2      TYR  46   7.727   4.836   6.356
  347    HD2  TYR  46           HD1      TYR  46   8.564   1.249   4.175
  348    HE1  TYR  46           HE2      TYR  46   7.121   3.500   8.350
  349    HE2  TYR  46           HE1      TYR  46   7.963  -0.104   6.170
  350    HH   TYR  46           HH       TYR  46   6.274   0.541   8.381
  351    H    GLY  47           HN       GLY  47   5.977   6.700   3.043
  352   1HA   GLY  47           HA2      GLY  47   7.096   8.826   2.273
  353   2HA   GLY  47           HA1      GLY  47   7.950   7.828   1.092
  354    H    LEU  48           HN       LEU  48   4.766   6.779   1.635
  355    HA   LEU  48           HA       LEU  48   3.875   7.096  -0.999
  356   1HB   LEU  48           HB2      LEU  48   2.360   6.997   1.618
  357   2HB   LEU  48           HB1      LEU  48   1.533   7.061   0.061
  358    HG   LEU  48           HG       LEU  48   3.669   5.006   0.634
  359   1HD1  LEU  48          HD11      LEU  48   1.035   5.194   1.806
  360   2HD1  LEU  48          HD13      LEU  48   1.121   3.790   0.742
  361   3HD1  LEU  48          HD12      LEU  48   2.275   3.966   2.064
  362   1HD2  LEU  48          HD21      LEU  48   1.600   5.530  -1.465
  363   2HD2  LEU  48          HD23      LEU  48   3.259   4.963  -1.648
  364   3HD2  LEU  48          HD22      LEU  48   2.002   3.853  -1.101
  365    HA   PRO  49           HA       PRO  49   3.005  11.313  -1.662
  366   1HB   PRO  49           HB2      PRO  49   0.311  10.920  -2.627
  367   2HB   PRO  49           HB1      PRO  49   1.777  11.211  -3.572
  368   1HG   PRO  49           HG2      PRO  49   0.317   8.749  -3.344
  369   2HG   PRO  49           HG1      PRO  49   1.822   9.031  -4.230
  370   1HD   PRO  49           HD2      PRO  49   1.461   7.574  -1.758
  371   2HD   PRO  49           HD1      PRO  49   2.958   7.817  -2.677
  372    H    ASP  50           HN       ASP  50   1.878  13.066  -0.640
  373    HA   ASP  50           HA       ASP  50   0.850  12.606   1.928
  374   1HB   ASP  50           HB2      ASP  50   1.092  14.882   0.078
  375   2HB   ASP  50           HB1      ASP  50  -0.181  15.034   1.281
  376    H    ASN  51           HN       ASN  51  -0.839  13.356  -1.062
  377    HA   ASN  51           HA       ASN  51  -3.445  13.019   0.131
  378   1HB   ASN  51           HB2      ASN  51  -4.164  13.369  -2.267
  379   2HB   ASN  51           HB1      ASN  51  -3.220  14.679  -1.579
  380   1HD2  ASN  51          HD22      ASN  51  -1.530  14.192  -4.745
  381   2HD2  ASN  51          HD21      ASN  51  -2.872  14.988  -4.075
  382    H    SER  52           HN       SER  52  -1.285  10.754  -0.412
  383    HA   SER  52           HA       SER  52  -2.578   8.919  -2.215
  384   1HB   SER  52           HB2      SER  52  -0.157   8.840  -1.496
  385   2HB   SER  52           HB1      SER  52  -0.706   8.218   0.056
  386    HG   SER  52           HG       SER  52  -1.748   6.963  -2.178
  387    HA   PRO  53           HA       PRO  53  -5.856   7.827   0.640
  388   1HB   PRO  53           HB2      PRO  53  -6.815   5.836  -1.142
  389   2HB   PRO  53           HB1      PRO  53  -7.412   7.493  -0.986
  390   1HG   PRO  53           HG2      PRO  53  -5.858   6.336  -3.156
  391   2HG   PRO  53           HG1      PRO  53  -6.586   7.944  -3.062
  392   1HD   PRO  53           HD2      PRO  53  -3.803   7.262  -2.823
  393   2HD   PRO  53           HD1      PRO  53  -4.541   8.872  -2.689
  394    H    THR  54           HN       THR  54  -5.337   6.483   2.353
  395    HA   THR  54           HA       THR  54  -4.225   3.785   1.695
  396    HB   THR  54           HB       THR  54  -3.035   3.871   3.844
  397    HG1  THR  54           HG1      THR  54  -3.048   5.929   4.927
  398   1HG2  THR  54          HG22      THR  54  -2.292   5.062   1.569
  399   2HG2  THR  54          HG21      THR  54  -2.363   6.493   2.597
  400   3HG2  THR  54          HG23      THR  54  -1.305   5.149   3.027
  401    H    LYS  55           HN       LYS  55  -4.832   2.072   3.239
  402    HA   LYS  55           HA       LYS  55  -7.533   1.725   3.641
  403   1HB   LYS  55           HB2      LYS  55  -6.113  -0.141   4.052
  404   2HB   LYS  55           HB1      LYS  55  -5.213   0.724   5.297
  405   1HG   LYS  55           HG2      LYS  55  -6.891  -0.959   6.184
  406   2HG   LYS  55           HG1      LYS  55  -7.094   0.681   6.799
  407   1HD   LYS  55           HD2      LYS  55  -9.279  -0.152   6.172
  408   2HD   LYS  55           HD1      LYS  55  -8.804   1.079   5.002
  409   1HE   LYS  55           HE2      LYS  55  -7.842  -0.919   3.634
  410   2HE   LYS  55           HE1      LYS  55  -8.875  -1.914   4.661
  411   1HZ   LYS  55           HZ2      LYS  55 -10.583  -0.012   3.964
  412   2HZ   LYS  55           HZ1      LYS  55  -9.598  -0.018   2.581
  413   3HZ   LYS  55           HZ3      LYS  55 -10.377  -1.442   3.071
  414    H    THR  56           HN       THR  56  -8.867   3.245   4.551
  415    HA   THR  56           HA       THR  56  -8.020   4.513   7.114
  416    HB   THR  56           HB       THR  56 -10.572   5.409   5.993
  417    HG1  THR  56           HG1      THR  56  -9.756   6.268   4.132
  418   1HG2  THR  56          HG21      THR  56  -8.206   6.439   7.324
  419   2HG2  THR  56          HG23      THR  56  -8.674   7.471   5.972
  420   3HG2  THR  56          HG22      THR  56  -9.832   7.119   7.255
  421    H    SER  57           HN       SER  57 -10.853   5.054   7.817
  422    HA   SER  57           HA       SER  57 -11.388   2.482   9.079
  423   1HB   SER  57           HB2      SER  57 -13.307   3.829  10.136
  424   2HB   SER  57           HB1      SER  57 -11.666   4.311  10.555
  425    HG   SER  57           HG       SER  57 -13.173   5.441   8.430
  426    H    GLY  58           HN       GLY  58 -11.732   2.038   6.447
  427   1HA   GLY  58           HA2      GLY  58 -14.695   1.856   6.205
  428   2HA   GLY  58           HA1      GLY  58 -13.770   2.502   4.850
  429    H    LYS  59           HN       LYS  59 -15.311   0.245   4.469
  430    HA   LYS  59           HA       LYS  59 -13.389  -2.032   4.531
  431   1HB   LYS  59           HB2      LYS  59 -16.226  -2.353   3.629
  432   2HB   LYS  59           HB1      LYS  59 -15.207  -3.471   4.538
  433   1HG   LYS  59           HG2      LYS  59 -15.324  -1.545   6.368
  434   2HG   LYS  59           HG1      LYS  59 -16.819  -1.147   5.521
  435   1HD   LYS  59           HD2      LYS  59 -16.951  -3.907   5.761
  436   2HD   LYS  59           HD1      LYS  59 -16.231  -3.402   7.291
  437   1HE   LYS  59           HE2      LYS  59 -18.801  -2.331   6.092
  438   2HE   LYS  59           HE1      LYS  59 -18.670  -3.395   7.491
  439   1HZ   LYS  59           HZ2      LYS  59 -17.167  -0.887   7.532
  440   2HZ   LYS  59           HZ1      LYS  59 -18.848  -0.802   7.752
  441   3HZ   LYS  59           HZ3      LYS  59 -17.903  -1.732   8.808
  442    H    CYS  60           HN       CYS  60 -12.438  -2.654   2.652
  443    HA   CYS  60           HA       CYS  60 -12.708  -1.133   0.255
  444   1HB   CYS  60           HB2      CYS  60 -10.713  -2.519   0.895
  445   2HB   CYS  60           HB1      CYS  60 -11.650  -3.960   0.505
  446    H    ASN  61           HN       ASN  61 -14.967  -1.116  -0.289
  447    HA   ASN  61           HA       ASN  61 -16.190  -3.699  -1.034
  448   1HB   ASN  61           HB2      ASN  61 -18.220  -2.295  -1.285
  449   2HB   ASN  61           HB1      ASN  61 -17.539  -2.172   0.323
  450   1HD2  ASN  61          HD22      ASN  61 -17.804   1.108  -2.002
  451   2HD2  ASN  61          HD21      ASN  61 -18.446  -0.394  -2.461
  452    HA   PRO  62           HA       PRO  62 -15.551  -3.164  -5.335
  453   1HB   PRO  62           HB2      PRO  62 -18.253  -3.805  -6.088
  454   2HB   PRO  62           HB1      PRO  62 -16.837  -4.863  -6.120
  455   1HG   PRO  62           HG2      PRO  62 -19.060  -4.953  -4.284
  456   2HG   PRO  62           HG1      PRO  62 -17.641  -6.010  -4.323
  457   1HD   PRO  62           HD2      PRO  62 -18.245  -3.942  -2.407
  458   2HD   PRO  62           HD1      PRO  62 -16.819  -4.997  -2.456
  459    H    ALA  63           HN       ALA  63 -17.461  -2.303  -7.258
  460    HA   ALA  63           HA       ALA  63 -18.039   0.465  -6.273
  461   1HB   ALA  63           HB3      ALA  63 -17.036  -0.565  -8.916
  462   2HB   ALA  63           HB2      ALA  63 -17.909   0.965  -8.837
  463   3HB   ALA  63           HB1      ALA  63 -16.409   0.759  -7.933
   
  Start of MODEL           8
 Raw file had  463 H/Q atoms
  Start of MODEL    8
    1   1H    LYS   1           HT3      LYS   1   4.709  13.909   2.689
    2   2H    LYS   1           HT2      LYS   1   6.082  13.934   1.691
    3   3H    LYS   1           HT1      LYS   1   4.547  14.248   1.037
    4    HA   LYS   1           HA       LYS   1   4.262  12.111   0.592
    5   1HB   LYS   1           HB2      LYS   1   6.130  10.571   0.899
    6   2HB   LYS   1           HB1      LYS   1   6.768  12.142   0.409
    7   1HG   LYS   1           HG2      LYS   1   6.589  12.268   3.210
    8   2HG   LYS   1           HG1      LYS   1   7.239  10.665   2.860
    9   1HD   LYS   1           HD2      LYS   1   8.868  11.829   1.270
   10   2HD   LYS   1           HD1      LYS   1   8.354  13.343   2.015
   11   1HE   LYS   1           HE2      LYS   1   9.075  11.166   3.894
   12   2HE   LYS   1           HE1      LYS   1  10.409  11.847   2.962
   13   1HZ   LYS   1           HZ1      LYS   1   9.185  14.068   3.679
   14   2HZ   LYS   1           HZ3      LYS   1   8.728  13.094   4.990
   15   3HZ   LYS   1           HZ2      LYS   1  10.374  13.333   4.645
   16    H    LYS   2           HN       LYS   2   4.289   9.775   1.807
   17    HA   LYS   2           HA       LYS   2   3.947   9.835   4.668
   18   1HB   LYS   2           HB2      LYS   2   1.922  10.995   4.397
   19   2HB   LYS   2           HB1      LYS   2   1.521  10.136   2.912
   20   1HG   LYS   2           HG2      LYS   2   1.819   8.393   5.275
   21   2HG   LYS   2           HG1      LYS   2   0.473   9.531   5.373
   22   1HD   LYS   2           HD2      LYS   2   0.964   7.824   2.926
   23   2HD   LYS   2           HD1      LYS   2  -0.040   7.276   4.269
   24   1HE   LYS   2           HE2      LYS   2  -1.725   8.758   3.794
   25   2HE   LYS   2           HE1      LYS   2  -0.612  10.000   3.225
   26   1HZ   LYS   2           HZ2      LYS   2  -0.719   7.597   1.609
   27   2HZ   LYS   2           HZ1      LYS   2  -2.143   8.524   1.613
   28   3HZ   LYS   2           HZ3      LYS   2  -0.676   9.229   1.132
   29    H    ASP   3           HN       ASP   3   4.050   7.771   5.424
   30    HA   ASP   3           HA       ASP   3   4.311   5.562   3.512
   31   1HB   ASP   3           HB2      ASP   3   4.130   5.229   6.493
   32   2HB   ASP   3           HB1      ASP   3   5.144   4.359   5.339
   33    H    GLY   4           HN       GLY   4   2.920   3.531   3.876
   34   1HA   GLY   4           HA2      GLY   4   0.691   3.172   5.388
   35   2HA   GLY   4           HA1      GLY   4   0.114   4.385   4.252
   36    OH   TYR   5           OH       TYR   5   0.008  -2.372   7.700
   37    H    TYR   5           HN       TYR   5  -1.369   2.378   3.933
   38    HA   TYR   5           HA       TYR   5  -0.190   0.407   2.049
   39   1HB   TYR   5           HB2      TYR   5  -2.983   0.565   3.225
   40   2HB   TYR   5           HB1      TYR   5  -2.341  -0.767   2.268
   41    HD1  TYR   5           HD2      TYR   5   0.086  -1.616   3.207
   42    HD2  TYR   5           HD1      TYR   5  -3.015   0.248   5.520
   43    HE1  TYR   5           HE2      TYR   5   0.992  -2.662   5.264
   44    HE2  TYR   5           HE1      TYR   5  -2.104  -0.793   7.578
   45    HH   TYR   5           HH       TYR   5   0.440  -1.684   8.212
   46    HA   PRO   6           HA       PRO   6  -1.786   3.292  -1.062
   47   1HB   PRO   6           HB2      PRO   6  -0.558   1.740  -3.105
   48   2HB   PRO   6           HB1      PRO   6   0.050   3.240  -2.394
   49   1HG   PRO   6           HG2      PRO   6   1.071   0.548  -2.034
   50   2HG   PRO   6           HG1      PRO   6   1.737   2.065  -1.413
   51   1HD   PRO   6           HD2      PRO   6   0.338   0.020   0.059
   52   2HD   PRO   6           HD1      PRO   6   1.002   1.545   0.673
   53    H    VAL   7           HN       VAL   7  -3.878   3.021  -1.748
   54    HA   VAL   7           HA       VAL   7  -4.718   0.283  -2.625
   55    HB   VAL   7           HB       VAL   7  -7.016   0.995  -2.135
   56   1HG1  VAL   7          HG12      VAL   7  -5.533   0.032  -0.350
   57   2HG1  VAL   7          HG11      VAL   7  -5.170   1.677   0.163
   58   3HG1  VAL   7          HG13      VAL   7  -6.818   1.065   0.278
   59   1HG2  VAL   7          HG23      VAL   7  -6.179   3.524  -2.558
   60   2HG2  VAL   7          HG22      VAL   7  -7.613   3.152  -1.603
   61   3HG2  VAL   7          HG21      VAL   7  -6.079   3.487  -0.800
   62    H    ASP   8           HN       ASP   8  -5.591   0.026  -4.684
   63    HA   ASP   8           HA       ASP   8  -4.937   1.996  -6.655
   64   1HB   ASP   8           HB2      ASP   8  -5.907   0.534  -8.243
   65   2HB   ASP   8           HB1      ASP   8  -5.320  -0.541  -6.975
   66    H    SER   9           HN       SER   9  -7.191   2.313  -8.262
   67    HA   SER   9           HA       SER   9  -8.501   4.509  -6.973
   68   1HB   SER   9           HB2      SER   9  -9.903   4.601  -8.968
   69   2HB   SER   9           HB1      SER   9  -8.238   4.272  -9.442
   70    HG   SER   9           HG       SER   9 -10.491   2.706  -9.634
   71    H    GLY  10           HN       GLY  10  -9.270   1.104  -7.143
   72   1HA   GLY  10           HA2      GLY  10 -12.041   1.509  -6.264
   73   2HA   GLY  10           HA1      GLY  10 -11.251  -0.046  -6.514
   74    H    ASN  11           HN       ASN  11  -9.132   1.708  -4.652
   75    HA   ASN  11           HA       ASN  11  -8.759   1.855  -2.325
   76   1HB   ASN  11           HB2      ASN  11 -11.514   2.015  -2.472
   77   2HB   ASN  11           HB1      ASN  11 -11.272   0.581  -1.476
   78   1HD2  ASN  11          HD22      ASN  11 -11.246   3.414   0.891
   79   2HD2  ASN  11          HD21      ASN  11 -12.383   2.630  -0.096
   80    H    CYS  12           HN       CYS  12  -7.894  -0.274  -3.854
   81    HA   CYS  12           HA       CYS  12  -8.316  -2.639  -2.077
   82   1HB   CYS  12           HB2      CYS  12  -7.975  -2.325  -4.995
   83   2HB   CYS  12           HB1      CYS  12  -7.026  -3.625  -4.275
   84    H    LYS  13           HN       LYS  13  -6.687  -2.578  -0.587
   85    HA   LYS  13           HA       LYS  13  -4.152  -1.332  -0.955
   86   1HB   LYS  13           HB2      LYS  13  -3.475  -2.628   1.058
   87   2HB   LYS  13           HB1      LYS  13  -5.044  -1.848   1.269
   88   1HG   LYS  13           HG2      LYS  13  -6.133  -4.005   0.557
   89   2HG   LYS  13           HG1      LYS  13  -4.536  -4.754   0.572
   90   1HD   LYS  13           HD2      LYS  13  -4.938  -5.202   2.750
   91   2HD   LYS  13           HD1      LYS  13  -4.637  -3.488   3.028
   92   1HE   LYS  13           HE2      LYS  13  -7.169  -3.215   2.396
   93   2HE   LYS  13           HE1      LYS  13  -7.263  -4.931   2.793
   94   1HZ   LYS  13           HZ1      LYS  13  -5.796  -3.363   4.712
   95   2HZ   LYS  13           HZ3      LYS  13  -7.426  -2.915   4.579
   96   3HZ   LYS  13           HZ2      LYS  13  -7.016  -4.519   4.959
   97    OH   TYR  14           OH       TYR  14  -2.745   0.488  -7.529
   98    H    TYR  14           HN       TYR  14  -2.536  -1.977  -2.300
   99    HA   TYR  14           HA       TYR  14  -2.506  -4.398  -3.756
  100   1HB   TYR  14           HB2      TYR  14  -0.160  -2.655  -2.934
  101   2HB   TYR  14           HB1      TYR  14  -0.098  -3.910  -4.172
  102    HD1  TYR  14           HD2      TYR  14  -2.779  -3.561  -5.437
  103    HD2  TYR  14           HD1      TYR  14   0.125  -0.655  -4.181
  104    HE1  TYR  14           HE2      TYR  14  -3.657  -1.961  -7.117
  105    HE2  TYR  14           HE1      TYR  14  -0.753   0.945  -5.857
  106    HH   TYR  14           HH       TYR  14  -3.698   0.533  -7.428
  107    H    GLU  15           HN       GLU  15  -2.516  -6.370  -2.801
  108    HA   GLU  15           HA       GLU  15  -1.229  -6.803  -0.207
  109   1HB   GLU  15           HB2      GLU  15  -3.404  -7.892  -1.336
  110   2HB   GLU  15           HB1      GLU  15  -2.208  -9.082  -1.850
  111   1HG   GLU  15           HG2      GLU  15  -1.469  -9.333   0.504
  112   2HG   GLU  15           HG1      GLU  15  -2.712  -8.181   1.002
  113    H    CYS  16           HN       CYS  16   0.568  -8.181   0.152
  114    HA   CYS  16           HA       CYS  16   1.913  -9.459  -2.096
  115   1HB   CYS  16           HB2      CYS  16   3.378  -7.835  -2.621
  116   2HB   CYS  16           HB1      CYS  16   2.540  -6.761  -1.514
  117    H    LEU  17           HN       LEU  17   3.790 -10.717  -1.351
  118    HA   LEU  17           HA       LEU  17   3.828 -11.118   1.605
  119   1HB   LEU  17           HB2      LEU  17   4.035 -13.408  -0.350
  120   2HB   LEU  17           HB1      LEU  17   3.709 -13.470   1.382
  121    HG   LEU  17           HG       LEU  17   1.838 -12.109  -0.565
  122   1HD1  LEU  17          HD11      LEU  17   1.889 -14.984   0.391
  123   2HD1  LEU  17          HD13      LEU  17   0.469 -14.223  -0.329
  124   3HD1  LEU  17          HD12      LEU  17   1.945 -14.410  -1.276
  125   1HD2  LEU  17          HD22      LEU  17   1.608 -13.128   2.283
  126   2HD2  LEU  17          HD21      LEU  17   1.519 -11.452   1.740
  127   3HD2  LEU  17          HD23      LEU  17   0.230 -12.582   1.327
  128    H    LYS  18           HN       LYS  18   5.551 -10.067  -0.890
  129    HA   LYS  18           HA       LYS  18   8.092 -11.205   0.184
  130   1HB   LYS  18           HB2      LYS  18   7.414 -10.630  -2.719
  131   2HB   LYS  18           HB1      LYS  18   9.015 -11.082  -2.131
  132   1HG   LYS  18           HG2      LYS  18   8.412 -13.264  -1.744
  133   2HG   LYS  18           HG1      LYS  18   6.755 -12.838  -1.317
  134   1HD   LYS  18           HD2      LYS  18   7.767 -12.566  -4.148
  135   2HD   LYS  18           HD1      LYS  18   7.111 -14.089  -3.546
  136   1HE   LYS  18           HE2      LYS  18   5.474 -11.699  -2.949
  137   2HE   LYS  18           HE1      LYS  18   5.584 -12.125  -4.657
  138   1HZ   LYS  18           HZ2      LYS  18   5.149 -14.510  -3.702
  139   2HZ   LYS  18           HZ1      LYS  18   4.435 -13.637  -2.432
  140   3HZ   LYS  18           HZ3      LYS  18   3.862 -13.445  -4.015
  141    H    ASP  19           HN       ASP  19   9.201  -9.564   1.110
  142    HA   ASP  19           HA       ASP  19   8.576  -6.855   1.065
  143   1HB   ASP  19           HB2      ASP  19  10.671  -8.435   2.082
  144   2HB   ASP  19           HB1      ASP  19  11.447  -7.148   1.158
  145    H    ASP  20           HN       ASP  20  10.178  -8.675  -1.438
  146    HA   ASP  20           HA       ASP  20  11.402  -6.403  -2.748
  147   1HB   ASP  20           HB2      ASP  20  12.359  -8.086  -3.904
  148   2HB   ASP  20           HB1      ASP  20  11.306  -9.237  -3.095
  149    OH   TYR  21           OH       TYR  21   1.323  -5.480  -6.486
  150    H    TYR  21           HN       TYR  21   8.489  -8.319  -3.669
  151    HA   TYR  21           HA       TYR  21   7.546  -6.599  -5.680
  152   1HB   TYR  21           HB2      TYR  21   6.410  -8.690  -5.289
  153   2HB   TYR  21           HB1      TYR  21   6.010  -8.226  -3.635
  154    HD1  TYR  21           HD2      TYR  21   4.487  -6.188  -3.284
  155    HD2  TYR  21           HD1      TYR  21   4.980  -8.130  -7.084
  156    HE1  TYR  21           HE2      TYR  21   2.382  -5.154  -4.087
  157    HE2  TYR  21           HE1      TYR  21   2.876  -7.092  -7.886
  158    HH   TYR  21           HH       TYR  21   0.589  -5.999  -6.150
  159    H    CYS  22           HN       CYS  22   7.552  -6.219  -2.222
  160    HA   CYS  22           HA       CYS  22   5.680  -4.016  -2.140
  161   1HB   CYS  22           HB2      CYS  22   7.104  -5.609  -0.274
  162   2HB   CYS  22           HB1      CYS  22   7.522  -3.931   0.027
  163    H    ASN  23           HN       ASN  23   9.222  -4.242  -2.223
  164    HA   ASN  23           HA       ASN  23   9.659  -1.399  -2.008
  165   1HB   ASN  23           HB2      ASN  23  11.514  -2.929  -1.683
  166   2HB   ASN  23           HB1      ASN  23  11.278  -3.656  -3.257
  167   1HD2  ASN  23          HD22      ASN  23  13.332  -1.314  -4.856
  168   2HD2  ASN  23          HD21      ASN  23  12.575  -2.834  -4.874
  169    H    ASP  24           HN       ASP  24   9.895  -3.545  -4.815
  170    HA   ASP  24           HA       ASP  24  10.028  -1.625  -6.847
  171   1HB   ASP  24           HB2      ASP  24  10.089  -4.202  -6.989
  172   2HB   ASP  24           HB1      ASP  24   8.339  -4.110  -7.100
  173    H    LEU  25           HN       LEU  25   6.972  -3.290  -5.998
  174    HA   LEU  25           HA       LEU  25   5.198  -1.626  -7.340
  175   1HB   LEU  25           HB2      LEU  25   4.359  -3.587  -6.231
  176   2HB   LEU  25           HB1      LEU  25   4.907  -3.009  -4.661
  177    HG   LEU  25           HG       LEU  25   3.274  -0.954  -5.379
  178   1HD1  LEU  25          HD12      LEU  25   2.682  -2.313  -7.471
  179   2HD1  LEU  25          HD11      LEU  25   1.852  -3.429  -6.384
  180   3HD1  LEU  25          HD13      LEU  25   1.322  -1.751  -6.498
  181   1HD2  LEU  25          HD23      LEU  25   3.167  -3.300  -3.665
  182   2HD2  LEU  25          HD22      LEU  25   2.576  -1.668  -3.352
  183   3HD2  LEU  25          HD21      LEU  25   1.553  -2.831  -4.195
  184    H    CYS  26           HN       CYS  26   6.721  -1.087  -4.198
  185    HA   CYS  26           HA       CYS  26   5.303   1.233  -3.448
  186   1HB   CYS  26           HB2      CYS  26   7.838  -0.124  -2.714
  187   2HB   CYS  26           HB1      CYS  26   7.673   1.534  -2.200
  188    H    LEU  27           HN       LEU  27   8.263   0.824  -5.345
  189    HA   LEU  27           HA       LEU  27   8.880   3.600  -5.547
  190   1HB   LEU  27           HB2      LEU  27   9.608   1.337  -7.433
  191   2HB   LEU  27           HB1      LEU  27  10.420   2.898  -7.327
  192    HG   LEU  27           HG       LEU  27  10.368   0.680  -5.281
  193   1HD1  LEU  27          HD13      LEU  27  12.223   1.632  -7.248
  194   2HD1  LEU  27          HD12      LEU  27  12.905   1.917  -5.646
  195   3HD1  LEU  27          HD11      LEU  27  12.415   0.290  -6.120
  196   1HD2  LEU  27          HD22      LEU  27  11.201   3.575  -4.914
  197   2HD2  LEU  27          HD21      LEU  27   9.891   2.746  -4.073
  198   3HD2  LEU  27          HD23      LEU  27  11.565   2.279  -3.774
  199    H    GLU  28           HN       GLU  28   6.895   1.389  -7.448
  200    HA   GLU  28           HA       GLU  28   6.482   3.101  -9.674
  201   1HB   GLU  28           HB2      GLU  28   5.580   0.551  -8.831
  202   2HB   GLU  28           HB1      GLU  28   4.142   1.520  -9.158
  203   1HG   GLU  28           HG2      GLU  28   5.867   2.146 -11.258
  204   2HG   GLU  28           HG1      GLU  28   6.086   0.411 -11.029
  205    NH1  ARG  29           NH2      ARG  29   0.320   4.119  -7.808
  206    NH2  ARG  29           NH1      ARG  29   1.669   2.892  -9.139
  207    H    ARG  29           HN       ARG  29   4.959   2.830  -6.562
  208    HA   ARG  29           HA       ARG  29   2.804   4.647  -7.169
  209   1HB   ARG  29           HB2      ARG  29   3.360   2.845  -5.120
  210   2HB   ARG  29           HB1      ARG  29   3.457   4.426  -4.341
  211   1HG   ARG  29           HG2      ARG  29   1.194   4.233  -4.189
  212   2HG   ARG  29           HG1      ARG  29   1.219   4.729  -5.880
  213   1HD   ARG  29           HD2      ARG  29   1.342   1.858  -4.938
  214   2HD   ARG  29           HD1      ARG  29  -0.130   2.652  -5.488
  215    HE   ARG  29           HE       ARG  29   1.912   1.490  -7.147
  216   1HH1  ARG  29          HH21      ARG  29  -0.133   4.263  -6.929
  217   2HH1  ARG  29          HH22      ARG  29   0.145   4.746  -8.568
  218   1HH2  ARG  29          HH11      ARG  29   2.258   2.096  -9.278
  219   2HH2  ARG  29          HH12      ARG  29   1.483   3.515  -9.899
  220    H    LYS  30           HN       LYS  30   6.076   5.057  -6.537
  221    HA   LYS  30           HA       LYS  30   7.197   7.181  -6.697
  222   1HB   LYS  30           HB2      LYS  30   6.129   9.212  -6.404
  223   2HB   LYS  30           HB1      LYS  30   4.752   8.215  -6.853
  224   1HG   LYS  30           HG2      LYS  30   3.791   8.956  -4.937
  225   2HG   LYS  30           HG1      LYS  30   4.889   7.863  -4.100
  226   1HD   LYS  30           HD2      LYS  30   4.996  10.176  -3.194
  227   2HD   LYS  30           HD1      LYS  30   6.542   9.661  -3.865
  228   1HE   LYS  30           HE2      LYS  30   4.732  10.962  -5.803
  229   2HE   LYS  30           HE1      LYS  30   5.296  12.012  -4.504
  230   1HZ   LYS  30           HZ3      LYS  30   7.428  10.430  -5.462
  231   2HZ   LYS  30           HZ2      LYS  30   6.690  11.232  -6.764
  232   3HZ   LYS  30           HZ1      LYS  30   7.281  12.119  -5.442
  233    H    ALA  31           HN       ALA  31   6.218   5.224  -4.275
  234    HA   ALA  31           HA       ALA  31   7.100   6.703  -1.954
  235   1HB   ALA  31           HB1      ALA  31   5.667   4.457  -2.225
  236   2HB   ALA  31           HB3      ALA  31   7.256   3.730  -1.985
  237   3HB   ALA  31           HB2      ALA  31   6.586   4.809  -0.761
  238    H    ASP  32           HN       ASP  32   9.071   6.475  -0.832
  239    HA   ASP  32           HA       ASP  32  11.413   6.214  -2.448
  240   1HB   ASP  32           HB2      ASP  32  10.930   7.523  -0.203
  241   2HB   ASP  32           HB1      ASP  32  11.485   6.027   0.533
  242    H    LYS  33           HN       LYS  33  10.013   4.270   0.159
  243    HA   LYS  33           HA       LYS  33  11.018   1.793  -1.052
  244   1HB   LYS  33           HB2      LYS  33  12.146   1.177   1.195
  245   2HB   LYS  33           HB1      LYS  33  13.025   2.254   0.111
  246   1HG   LYS  33           HG2      LYS  33  13.176   3.657   1.879
  247   2HG   LYS  33           HG1      LYS  33  11.471   4.005   1.600
  248   1HD   LYS  33           HD2      LYS  33  10.940   3.067   3.569
  249   2HD   LYS  33           HD1      LYS  33  11.659   1.542   3.049
  250   1HE   LYS  33           HE2      LYS  33  13.927   2.756   3.621
  251   2HE   LYS  33           HE1      LYS  33  12.894   3.779   4.621
  252   1HZ   LYS  33           HZ1      LYS  33  11.966   1.514   5.428
  253   2HZ   LYS  33           HZ3      LYS  33  13.441   0.901   4.857
  254   3HZ   LYS  33           HZ2      LYS  33  13.431   2.098   6.063
  255    H    GLY  34           HN       GLY  34  10.233  -0.129   0.317
  256   1HA   GLY  34           HA2      GLY  34   8.305   0.368   2.404
  257   2HA   GLY  34           HA1      GLY  34   7.503   0.085   0.873
  258    OH   TYR  35           OH       TYR  35   6.055  -1.064   8.480
  259    H    TYR  35           HN       TYR  35   7.697  -1.515   3.429
  260    HA   TYR  35           HA       TYR  35   8.769  -4.036   2.225
  261   1HB   TYR  35           HB2      TYR  35   8.767  -4.919   4.561
  262   2HB   TYR  35           HB1      TYR  35   9.854  -3.560   4.350
  263    HD1  TYR  35           HD2      TYR  35   6.294  -4.299   5.284
  264    HD2  TYR  35           HD1      TYR  35   9.712  -1.757   5.854
  265    HE1  TYR  35           HE2      TYR  35   5.095  -3.084   7.073
  266    HE2  TYR  35           HE1      TYR  35   8.511  -0.548   7.650
  267    HH   TYR  35           HH       TYR  35   5.546  -1.706   8.982
  268    H    CYS  36           HN       CYS  36   7.471  -5.952   3.341
  269    HA   CYS  36           HA       CYS  36   4.581  -5.291   2.912
  270   1HB   CYS  36           HB2      CYS  36   6.151  -7.292   1.760
  271   2HB   CYS  36           HB1      CYS  36   5.200  -8.140   2.980
  272    OH   TYR  37           OH       TYR  37   3.437  -5.382  12.975
  273    H    TYR  37           HN       TYR  37   3.349  -5.279   4.718
  274    HA   TYR  37           HA       TYR  37   4.478  -6.479   7.188
  275   1HB   TYR  37           HB2      TYR  37   3.463  -4.087   6.975
  276   2HB   TYR  37           HB1      TYR  37   1.909  -4.910   7.048
  277    HD1  TYR  37           HD2      TYR  37   1.250  -6.179   9.062
  278    HD2  TYR  37           HD1      TYR  37   4.944  -4.004   8.898
  279    HE1  TYR  37           HE2      TYR  37   1.458  -6.361  11.524
  280    HE2  TYR  37           HE1      TYR  37   5.156  -4.181  11.365
  281    HH   TYR  37           HH       TYR  37   4.359  -5.555  13.183
  282    CH2  TRP  38           CH2      TRP  38  -0.051 -14.665   5.436
  283    H    TRP  38           HN       TRP  38   3.455  -8.191   8.294
  284    HA   TRP  38           HA       TRP  38   1.437  -9.630   6.671
  285   1HB   TRP  38           HB2      TRP  38   3.624 -10.444   8.330
  286   2HB   TRP  38           HB1      TRP  38   2.138 -11.155   8.962
  287    HD1  TRP  38           HD1      TRP  38   4.511 -11.294   6.040
  288    HE1  TRP  38           HE1      TRP  38   3.774 -13.152   4.411
  289    HE3  TRP  38           HE3      TRP  38  -0.046 -12.448   8.027
  290    HZ2  TRP  38           HZ2      TRP  38   1.542 -14.893   4.001
  291    HZ3  TRP  38           HZ3      TRP  38  -1.458 -14.206   7.002
  292    HH2  TRP  38           HH2      TRP  38  -0.672 -15.430   4.994
  293    H    GLY  39           HN       GLY  39   1.792  -8.329   9.998
  294   1HA   GLY  39           HA2      GLY  39  -0.496  -9.247  11.262
  295   2HA   GLY  39           HA1      GLY  39   0.014  -7.559  11.393
  296    H    LYS  40           HN       LYS  40  -0.230  -7.103   8.563
  297    HA   LYS  40           HA       LYS  40  -3.135  -7.357   8.023
  298   1HB   LYS  40           HB2      LYS  40  -1.835  -4.797   7.222
  299   2HB   LYS  40           HB1      LYS  40  -3.480  -5.086   7.781
  300   1HG   LYS  40           HG2      LYS  40  -2.038  -5.669  10.036
  301   2HG   LYS  40           HG1      LYS  40  -1.070  -4.377   9.326
  302   1HD   LYS  40           HD2      LYS  40  -3.453  -3.246   8.998
  303   2HD   LYS  40           HD1      LYS  40  -3.880  -4.298  10.348
  304   1HE   LYS  40           HE2      LYS  40  -1.755  -3.381  11.493
  305   2HE   LYS  40           HE1      LYS  40  -1.793  -2.119  10.261
  306   1HZ   LYS  40           HZ2      LYS  40  -4.299  -2.673  11.629
  307   2HZ   LYS  40           HZ1      LYS  40  -3.087  -1.926  12.558
  308   3HZ   LYS  40           HZ3      LYS  40  -3.635  -1.190  11.131
  309    H    VAL  41           HN       VAL  41  -2.121  -9.084   6.691
  310    HA   VAL  41           HA       VAL  41  -0.129  -9.010   4.862
  311    HB   VAL  41           HB       VAL  41  -1.380 -10.523   3.425
  312   1HG1  VAL  41          HG11      VAL  41  -1.135 -10.788   6.251
  313   2HG1  VAL  41          HG13      VAL  41  -2.680 -11.500   5.787
  314   3HG1  VAL  41          HG12      VAL  41  -1.187 -12.073   5.044
  315   1HG2  VAL  41          HG22      VAL  41  -3.674  -9.060   4.620
  316   2HG2  VAL  41          HG21      VAL  41  -3.497  -9.751   3.006
  317   3HG2  VAL  41          HG23      VAL  41  -3.906 -10.791   4.371
  318    H    SER  42           HN       SER  42   0.343  -6.984   4.066
  319    HA   SER  42           HA       SER  42  -0.985  -6.233   1.602
  320   1HB   SER  42           HB2      SER  42  -1.674  -4.859   4.120
  321   2HB   SER  42           HB1      SER  42  -1.187  -3.785   2.812
  322    HG   SER  42           HG       SER  42  -2.913  -4.330   1.715
  323    H    CYS  43           HN       CYS  43   0.103  -4.063   0.825
  324    HA   CYS  43           HA       CYS  43   2.975  -4.353   1.495
  325   1HB   CYS  43           HB2      CYS  43   1.500  -3.834  -0.928
  326   2HB   CYS  43           HB1      CYS  43   2.668  -2.542  -0.649
  327    OH   TYR  44           OH       TYR  44   2.690   3.534   7.832
  328    H    TYR  44           HN       TYR  44   3.863  -2.933   2.845
  329    HA   TYR  44           HA       TYR  44   2.523  -0.325   3.315
  330   1HB   TYR  44           HB2      TYR  44   3.227  -1.963   5.196
  331   2HB   TYR  44           HB1      TYR  44   4.866  -1.396   4.886
  332    HD1  TYR  44           HD2      TYR  44   1.413  -0.120   5.440
  333    HD2  TYR  44           HD1      TYR  44   5.610   0.584   5.961
  334    HE1  TYR  44           HE2      TYR  44   0.905   1.904   6.744
  335    HE2  TYR  44           HE1      TYR  44   5.112   2.617   7.274
  336    HH   TYR  44           HH       TYR  44   3.506   4.028   7.941
  337    H    CYS  45           HN       CYS  45   3.276   1.298   2.027
  338    HA   CYS  45           HA       CYS  45   6.099   1.248   1.120
  339   1HB   CYS  45           HB2      CYS  45   3.754   3.001   0.370
  340   2HB   CYS  45           HB1      CYS  45   5.385   3.267  -0.229
  341    OH   TYR  46           OH       TYR  46   7.075   1.195   7.940
  342    H    TYR  46           HN       TYR  46   7.061   3.545   0.999
  343    HA   TYR  46           HA       TYR  46   6.506   5.203   3.396
  344   1HB   TYR  46           HB2      TYR  46   9.105   3.800   2.772
  345   2HB   TYR  46           HB1      TYR  46   9.065   5.246   3.772
  346    HD1  TYR  46           HD1      TYR  46   7.874   5.213   5.955
  347    HD2  TYR  46           HD2      TYR  46   8.306   1.686   3.582
  348    HE1  TYR  46           HE1      TYR  46   7.248   3.839   7.913
  349    HE2  TYR  46           HE2      TYR  46   7.689   0.291   5.532
  350    HH   TYR  46           HH       TYR  46   7.486   1.571   8.722
  351    H    GLY  47           HN       GLY  47   5.897   6.894   1.992
  352   1HA   GLY  47           HA2      GLY  47   7.235   8.933   1.104
  353   2HA   GLY  47           HA1      GLY  47   7.935   7.764  -0.013
  354    H    LEU  48           HN       LEU  48   4.623   7.243   0.796
  355    HA   LEU  48           HA       LEU  48   3.768   7.545  -1.932
  356   1HB   LEU  48           HB2      LEU  48   2.177   7.385   0.646
  357   2HB   LEU  48           HB1      LEU  48   1.488   7.228  -0.965
  358    HG   LEU  48           HG       LEU  48   3.796   5.477  -0.210
  359   1HD1  LEU  48          HD13      LEU  48   1.542   5.596   1.396
  360   2HD1  LEU  48          HD12      LEU  48   1.165   4.289   0.271
  361   3HD1  LEU  48          HD11      LEU  48   2.628   4.211   1.253
  362   1HD2  LEU  48          HD23      LEU  48   1.910   5.735  -2.358
  363   2HD2  LEU  48          HD22      LEU  48   3.261   4.611  -2.220
  364   3HD2  LEU  48          HD21      LEU  48   1.676   4.167  -1.588
  365    HA   PRO  49           HA       PRO  49   2.737  11.768  -2.288
  366   1HB   PRO  49           HB2      PRO  49  -0.019  11.325  -3.082
  367   2HB   PRO  49           HB1      PRO  49   1.355  11.793  -4.094
  368   1HG   PRO  49           HG2      PRO  49   0.059   9.256  -4.068
  369   2HG   PRO  49           HG1      PRO  49   1.555   9.672  -4.914
  370   1HD   PRO  49           HD2      PRO  49   1.220   8.035  -2.531
  371   2HD   PRO  49           HD1      PRO  49   2.693   8.307  -3.483
  372    H    ASP  50           HN       ASP  50   1.680  13.432  -1.086
  373    HA   ASP  50           HA       ASP  50   0.880  12.906   1.517
  374   1HB   ASP  50           HB2      ASP  50   0.887  15.171  -0.265
  375   2HB   ASP  50           HB1      ASP  50  -0.534  15.189   0.771
  376    H    ASN  51           HN       ASN  51  -1.376  13.904  -1.006
  377    HA   ASN  51           HA       ASN  51  -3.642  12.896   0.434
  378   1HB   ASN  51           HB2      ASN  51  -4.903  13.772  -1.399
  379   2HB   ASN  51           HB1      ASN  51  -3.603  14.909  -1.090
  380   1HD2  ASN  51          HD22      ASN  51  -3.550  14.355  -4.739
  381   2HD2  ASN  51          HD21      ASN  51  -4.570  15.106  -3.610
  382    H    SER  52           HN       SER  52  -1.329  11.208  -1.093
  383    HA   SER  52           HA       SER  52  -2.313   9.558  -3.036
  384   1HB   SER  52           HB2      SER  52  -0.094   9.349  -1.805
  385   2HB   SER  52           HB1      SER  52  -0.960   8.423  -0.583
  386    HG   SER  52           HG       SER  52  -1.288   7.741  -3.278
  387    HA   PRO  53           HA       PRO  53  -6.118   8.034  -1.270
  388   1HB   PRO  53           HB2      PRO  53  -6.312   6.103  -3.387
  389   2HB   PRO  53           HB1      PRO  53  -7.190   7.630  -3.229
  390   1HG   PRO  53           HG2      PRO  53  -5.060   7.007  -5.071
  391   2HG   PRO  53           HG1      PRO  53  -5.947   8.528  -4.911
  392   1HD   PRO  53           HD2      PRO  53  -3.231   7.974  -4.115
  393   2HD   PRO  53           HD1      PRO  53  -4.122   9.502  -3.966
  394    H    THR  54           HN       THR  54  -5.419   6.874   0.569
  395    HA   THR  54           HA       THR  54  -4.318   4.148   0.058
  396    HB   THR  54           HB       THR  54  -3.470   4.277   2.395
  397    HG1  THR  54           HG1      THR  54  -4.556   5.712   3.506
  398   1HG2  THR  54          HG23      THR  54  -2.252   5.107   0.272
  399   2HG2  THR  54          HG22      THR  54  -2.611   6.728   0.868
  400   3HG2  THR  54          HG21      THR  54  -1.620   5.633   1.832
  401    H    LYS  55           HN       LYS  55  -4.999   2.517   1.773
  402    HA   LYS  55           HA       LYS  55  -7.709   1.995   1.698
  403   1HB   LYS  55           HB2      LYS  55  -6.050   0.366   2.510
  404   2HB   LYS  55           HB1      LYS  55  -5.822   1.321   3.975
  405   1HG   LYS  55           HG2      LYS  55  -7.396  -0.616   4.276
  406   2HG   LYS  55           HG1      LYS  55  -8.123   0.948   4.649
  407   1HD   LYS  55           HD2      LYS  55  -9.628   0.758   2.972
  408   2HD   LYS  55           HD1      LYS  55  -8.396   0.230   1.825
  409   1HE   LYS  55           HE2      LYS  55  -8.463  -2.027   3.063
  410   2HE   LYS  55           HE1      LYS  55  -9.962  -1.447   3.789
  411   1HZ   LYS  55           HZ1      LYS  55  -9.822  -1.071   0.937
  412   2HZ   LYS  55           HZ3      LYS  55  -9.771  -2.701   1.406
  413   3HZ   LYS  55           HZ2      LYS  55 -11.072  -1.720   1.889
  414    H    THR  56           HN       THR  56  -9.349   3.290   2.334
  415    HA   THR  56           HA       THR  56  -8.984   5.168   4.566
  416    HB   THR  56           HB       THR  56 -11.250   4.653   2.638
  417    HG1  THR  56           HG1      THR  56 -10.385   7.148   2.693
  418   1HG2  THR  56          HG22      THR  56 -11.122   6.343   5.123
  419   2HG2  THR  56          HG21      THR  56 -12.109   6.861   3.757
  420   3HG2  THR  56          HG23      THR  56 -12.434   5.317   4.545
  421    H    SER  57           HN       SER  57 -11.728   3.108   3.815
  422    HA   SER  57           HA       SER  57 -11.571   1.417   6.074
  423   1HB   SER  57           HB2      SER  57 -13.748   2.757   7.065
  424   2HB   SER  57           HB1      SER  57 -12.116   2.889   7.710
  425    HG   SER  57           HG       SER  57 -12.018   4.847   6.958
  426    H    GLY  58           HN       GLY  58 -12.171   0.510   3.768
  427   1HA   GLY  58           HA2      GLY  58 -15.070  -0.058   3.866
  428   2HA   GLY  58           HA1      GLY  58 -14.458   0.648   2.368
  429    H    LYS  59           HN       LYS  59 -15.269  -1.503   1.503
  430    HA   LYS  59           HA       LYS  59 -13.244  -3.654   1.965
  431   1HB   LYS  59           HB2      LYS  59 -16.132  -3.687   1.770
  432   2HB   LYS  59           HB1      LYS  59 -15.421  -4.719   0.528
  433   1HG   LYS  59           HG2      LYS  59 -13.906  -5.229   2.829
  434   2HG   LYS  59           HG1      LYS  59 -15.574  -5.150   3.397
  435   1HD   LYS  59           HD2      LYS  59 -16.252  -6.777   1.678
  436   2HD   LYS  59           HD1      LYS  59 -14.594  -6.845   1.080
  437   1HE   LYS  59           HE2      LYS  59 -14.149  -7.360   3.696
  438   2HE   LYS  59           HE1      LYS  59 -15.769  -8.037   3.533
  439   1HZ   LYS  59           HZ1      LYS  59 -14.662  -9.009   1.348
  440   2HZ   LYS  59           HZ3      LYS  59 -13.266  -8.885   2.303
  441   3HZ   LYS  59           HZ2      LYS  59 -14.582  -9.815   2.842
  442    H    CYS  60           HN       CYS  60 -12.920  -1.352   0.152
  443    HA   CYS  60           HA       CYS  60 -12.148  -0.964  -2.030
  444   1HB   CYS  60           HB2      CYS  60 -10.821  -3.052  -1.503
  445   2HB   CYS  60           HB1      CYS  60 -12.106  -3.985  -2.272
  446    H    ASN  61           HN       ASN  61 -13.989  -0.074  -2.985
  447    HA   ASN  61           HA       ASN  61 -16.226  -1.757  -3.819
  448   1HB   ASN  61           HB2      ASN  61 -15.652   1.079  -3.551
  449   2HB   ASN  61           HB1      ASN  61 -16.458   0.729  -5.080
  450   1HD2  ASN  61          HD22      ASN  61 -19.569   0.437  -3.480
  451   2HD2  ASN  61          HD21      ASN  61 -18.686   0.901  -4.853
  452    HA   PRO  62           HA       PRO  62 -14.040  -2.717  -7.635
  453   1HB   PRO  62           HB2      PRO  62 -16.229  -4.341  -8.467
  454   2HB   PRO  62           HB1      PRO  62 -14.709  -4.886  -7.747
  455   1HG   PRO  62           HG2      PRO  62 -17.340  -4.861  -6.537
  456   2HG   PRO  62           HG1      PRO  62 -15.827  -5.470  -5.851
  457   1HD   PRO  62           HD2      PRO  62 -17.236  -3.047  -5.159
  458   2HD   PRO  62           HD1      PRO  62 -15.735  -3.676  -4.459
  459    H    ALA  63           HN       ALA  63 -14.917  -2.748 -10.031
  460    HA   ALA  63           HA       ALA  63 -16.855  -0.489 -10.315
  461   1HB   ALA  63           HB1      ALA  63 -14.582  -1.366 -12.120
  462   2HB   ALA  63           HB3      ALA  63 -15.726  -0.080 -12.506
  463   3HB   ALA  63           HB2      ALA  63 -14.632   0.095 -11.134
   
  Start of MODEL           9
 Raw file had  463 H/Q atoms
  Start of MODEL    9
    1   1H    LYS   1           HT3      LYS   1   5.217  13.795   3.612
    2   2H    LYS   1           HT2      LYS   1   6.427  14.011   2.439
    3   3H    LYS   1           HT1      LYS   1   4.790  14.172   2.014
    4    HA   LYS   1           HA       LYS   1   4.617  12.025   1.569
    5   1HB   LYS   1           HB2      LYS   1   7.534  11.928   2.407
    6   2HB   LYS   1           HB1      LYS   1   6.702  10.718   1.426
    7   1HG   LYS   1           HG2      LYS   1   6.124  12.636  -0.173
    8   2HG   LYS   1           HG1      LYS   1   7.312  13.590   0.715
    9   1HD   LYS   1           HD2      LYS   1   8.872  11.513   0.291
   10   2HD   LYS   1           HD1      LYS   1   7.737  11.179  -1.019
   11   1HE   LYS   1           HE2      LYS   1   8.103  13.803  -1.456
   12   2HE   LYS   1           HE1      LYS   1   9.655  13.438  -0.705
   13   1HZ   LYS   1           HZ3      LYS   1   9.323  11.381  -2.417
   14   2HZ   LYS   1           HZ2      LYS   1   8.636  12.670  -3.284
   15   3HZ   LYS   1           HZ1      LYS   1  10.241  12.771  -2.735
   16    H    LYS   2           HN       LYS   2   4.840   9.721   2.549
   17    HA   LYS   2           HA       LYS   2   5.347   9.487   5.382
   18   1HB   LYS   2           HB2      LYS   2   2.978   9.111   6.073
   19   2HB   LYS   2           HB1      LYS   2   3.279  10.774   5.569
   20   1HG   LYS   2           HG2      LYS   2   1.400  10.405   4.304
   21   2HG   LYS   2           HG1      LYS   2   2.578   9.717   3.186
   22   1HD   LYS   2           HD2      LYS   2   2.204   7.485   4.342
   23   2HD   LYS   2           HD1      LYS   2   0.844   8.236   5.175
   24   1HE   LYS   2           HE2      LYS   2   1.063   8.399   2.178
   25   2HE   LYS   2           HE1      LYS   2   0.387   6.962   2.945
   26   1HZ   LYS   2           HZ2      LYS   2  -0.576   9.617   3.760
   27   2HZ   LYS   2           HZ1      LYS   2  -1.145   8.942   2.308
   28   3HZ   LYS   2           HZ3      LYS   2  -1.387   8.124   3.775
   29    H    ASP   3           HN       ASP   3   4.775   7.319   6.176
   30    HA   ASP   3           HA       ASP   3   4.882   5.309   3.997
   31   1HB   ASP   3           HB2      ASP   3   4.992   4.653   6.922
   32   2HB   ASP   3           HB1      ASP   3   5.841   3.882   5.581
   33    H    GLY   4           HN       GLY   4   3.188   3.719   3.803
   34   1HA   GLY   4           HA2      GLY   4   1.163   3.315   5.766
   35   2HA   GLY   4           HA1      GLY   4   0.590   4.555   4.656
   36    OH   TYR   5           OH       TYR   5   0.877  -3.131   6.991
   37    H    TYR   5           HN       TYR   5  -1.084   2.847   4.289
   38    HA   TYR   5           HA       TYR   5  -0.164   0.711   2.415
   39   1HB   TYR   5           HB2      TYR   5  -2.623   1.024   4.144
   40   2HB   TYR   5           HB1      TYR   5  -2.536  -0.174   2.855
   41    HD1  TYR   5           HD2      TYR   5  -0.471  -1.742   2.868
   42    HD2  TYR   5           HD1      TYR   5  -1.774   0.507   6.275
   43    HE1  TYR   5           HE2      TYR   5   0.767  -3.292   4.355
   44    HE2  TYR   5           HE1      TYR   5  -0.541  -1.043   7.771
   45    HH   TYR   5           HH       TYR   5   1.409  -3.712   6.441
   46    HA   PRO   6           HA       PRO   6  -1.977   3.708  -0.505
   47   1HB   PRO   6           HB2      PRO   6  -0.857   2.133  -2.620
   48   2HB   PRO   6           HB1      PRO   6  -0.288   3.700  -2.024
   49   1HG   PRO   6           HG2      PRO   6   0.939   1.103  -1.652
   50   2HG   PRO   6           HG1      PRO   6   1.535   2.679  -1.114
   51   1HD   PRO   6           HD2      PRO   6   0.415   0.584   0.505
   52   2HD   PRO   6           HD1      PRO   6   0.968   2.186   1.035
   53    H    VAL   7           HN       VAL   7  -4.139   3.342  -0.926
   54    HA   VAL   7           HA       VAL   7  -4.976   0.574  -1.678
   55    HB   VAL   7           HB       VAL   7  -7.297   1.443  -1.207
   56   1HG1  VAL   7          HG12      VAL   7  -5.151   1.494   0.922
   57   2HG1  VAL   7          HG11      VAL   7  -6.867   1.628   1.311
   58   3HG1  VAL   7          HG13      VAL   7  -6.252   0.176   0.520
   59   1HG2  VAL   7          HG23      VAL   7  -6.609   3.863  -1.574
   60   2HG2  VAL   7          HG22      VAL   7  -7.567   3.570  -0.124
   61   3HG2  VAL   7          HG21      VAL   7  -5.823   3.798   0.004
   62    H    ASP   8           HN       ASP   8  -6.293   0.247  -3.548
   63    HA   ASP   8           HA       ASP   8  -5.619   1.910  -5.791
   64   1HB   ASP   8           HB2      ASP   8  -7.527   0.535  -6.898
   65   2HB   ASP   8           HB1      ASP   8  -6.098  -0.331  -6.339
   66    H    SER   9           HN       SER   9  -7.957   2.306  -7.210
   67    HA   SER   9           HA       SER   9  -9.001   4.696  -5.949
   68   1HB   SER   9           HB2      SER   9 -10.716   3.879  -8.075
   69   2HB   SER   9           HB1      SER   9  -9.500   5.153  -8.094
   70    HG   SER   9           HG       SER   9  -9.010   3.624  -9.665
   71    H    GLY  10           HN       GLY  10  -9.647   1.509  -5.336
   72   1HA   GLY  10           HA2      GLY  10 -12.503   2.052  -4.669
   73   2HA   GLY  10           HA1      GLY  10 -11.838   0.442  -4.944
   74    H    ASN  11           HN       ASN  11  -9.542   2.136  -3.215
   75    HA   ASN  11           HA       ASN  11  -9.038   2.290  -0.914
   76   1HB   ASN  11           HB2      ASN  11 -11.684   2.689  -0.833
   77   2HB   ASN  11           HB1      ASN  11 -11.649   1.084  -0.101
   78   1HD2  ASN  11          HD22      ASN  11 -11.019   2.744   2.965
   79   2HD2  ASN  11          HD21      ASN  11 -12.109   1.801   2.069
   80    H    CYS  12           HN       CYS  12  -8.160   0.180  -2.379
   81    HA   CYS  12           HA       CYS  12  -8.436  -2.111  -0.481
   82   1HB   CYS  12           HB2      CYS  12  -8.905  -2.030  -3.345
   83   2HB   CYS  12           HB1      CYS  12  -7.625  -3.170  -2.934
   84    H    LYS  13           HN       LYS  13  -6.532  -2.236   0.586
   85    HA   LYS  13           HA       LYS  13  -4.100  -1.022  -0.219
   86   1HB   LYS  13           HB2      LYS  13  -4.421  -3.460   1.558
   87   2HB   LYS  13           HB1      LYS  13  -3.047  -2.355   1.533
   88   1HG   LYS  13           HG2      LYS  13  -4.493  -0.510   2.268
   89   2HG   LYS  13           HG1      LYS  13  -5.891  -1.588   2.254
   90   1HD   LYS  13           HD2      LYS  13  -3.417  -1.943   3.977
   91   2HD   LYS  13           HD1      LYS  13  -4.977  -1.340   4.541
   92   1HE   LYS  13           HE2      LYS  13  -5.672  -3.685   3.256
   93   2HE   LYS  13           HE1      LYS  13  -4.125  -4.098   3.995
   94   1HZ   LYS  13           HZ2      LYS  13  -6.326  -2.771   5.476
   95   2HZ   LYS  13           HZ1      LYS  13  -6.128  -4.458   5.425
   96   3HZ   LYS  13           HZ3      LYS  13  -4.923  -3.484   6.116
   97    OH   TYR  14           OH       TYR  14  -3.558   1.737  -6.135
   98    H    TYR  14           HN       TYR  14  -2.605  -1.624  -1.731
   99    HA   TYR  14           HA       TYR  14  -2.975  -3.894  -3.431
  100   1HB   TYR  14           HB2      TYR  14  -0.394  -2.392  -2.878
  101   2HB   TYR  14           HB1      TYR  14  -0.741  -3.389  -4.291
  102    HD1  TYR  14           HD1      TYR  14  -3.109  -2.747  -5.456
  103    HD2  TYR  14           HD2      TYR  14  -0.632  -0.093  -3.160
  104    HE1  TYR  14           HE1      TYR  14  -4.152  -0.799  -6.584
  105    HE2  TYR  14           HE2      TYR  14  -1.673   1.853  -4.288
  106    HH   TYR  14           HH       TYR  14  -3.439   2.504  -5.571
  107    H    GLU  15           HN       GLU  15  -2.628  -6.003  -2.940
  108    HA   GLU  15           HA       GLU  15  -1.668  -6.954  -0.472
  109   1HB   GLU  15           HB2      GLU  15  -1.549  -9.133  -1.524
  110   2HB   GLU  15           HB1      GLU  15  -2.959  -8.279  -2.151
  111   1HG   GLU  15           HG2      GLU  15  -2.138  -8.288  -4.253
  112   2HG   GLU  15           HG1      GLU  15  -0.566  -7.702  -3.710
  113    H    CYS  16           HN       CYS  16   0.289  -8.716  -0.622
  114    HA   CYS  16           HA       CYS  16   2.632  -7.695  -2.044
  115   1HB   CYS  16           HB2      CYS  16   3.913  -7.028  -0.152
  116   2HB   CYS  16           HB1      CYS  16   2.350  -6.236   0.036
  117    H    LEU  17           HN       LEU  17   3.914  -9.424  -2.504
  118    HA   LEU  17           HA       LEU  17   3.432 -11.939  -0.974
  119   1HB   LEU  17           HB2      LEU  17   4.912 -11.666  -3.600
  120   2HB   LEU  17           HB1      LEU  17   4.208 -13.123  -2.896
  121    HG   LEU  17           HG       LEU  17   2.401 -10.798  -3.427
  122   1HD1  LEU  17          HD12      LEU  17   4.052 -11.667  -5.449
  123   2HD1  LEU  17          HD11      LEU  17   2.642 -12.704  -5.658
  124   3HD1  LEU  17          HD13      LEU  17   2.459 -10.950  -5.689
  125   1HD2  LEU  17          HD22      LEU  17   2.254 -13.712  -2.976
  126   2HD2  LEU  17          HD21      LEU  17   1.070 -12.456  -2.613
  127   3HD2  LEU  17          HD23      LEU  17   1.180 -13.118  -4.243
  128    H    LYS  18           HN       LYS  18   6.136 -10.125  -2.471
  129    HA   LYS  18           HA       LYS  18   7.853 -11.122  -0.235
  130   1HB   LYS  18           HB2      LYS  18   8.332 -11.087  -3.185
  131   2HB   LYS  18           HB1      LYS  18   9.702 -10.740  -2.129
  132   1HG   LYS  18           HG2      LYS  18   9.934 -12.975  -1.903
  133   2HG   LYS  18           HG1      LYS  18   8.472 -12.926  -0.918
  134   1HD   LYS  18           HD2      LYS  18   7.335 -14.071  -2.486
  135   2HD   LYS  18           HD1      LYS  18   7.740 -12.855  -3.699
  136   1HE   LYS  18           HE2      LYS  18   9.851 -13.953  -4.178
  137   2HE   LYS  18           HE1      LYS  18   9.599 -15.097  -2.859
  138   1HZ   LYS  18           HZ1      LYS  18   7.368 -15.468  -4.228
  139   2HZ   LYS  18           HZ3      LYS  18   8.388 -15.011  -5.503
  140   3HZ   LYS  18           HZ2      LYS  18   8.790 -16.346  -4.534
  141    H    ASP  19           HN       ASP  19   9.900  -9.634  -0.102
  142    HA   ASP  19           HA       ASP  19   8.987  -6.958   0.415
  143   1HB   ASP  19           HB2      ASP  19  10.942  -8.199   1.524
  144   2HB   ASP  19           HB1      ASP  19  11.877  -7.777   0.090
  145    H    ASP  20           HN       ASP  20  10.537  -8.475  -2.346
  146    HA   ASP  20           HA       ASP  20  11.396  -6.071  -3.652
  147   1HB   ASP  20           HB2      ASP  20  10.937  -7.702  -5.738
  148   2HB   ASP  20           HB1      ASP  20  12.362  -7.858  -4.723
  149    OH   TYR  21           OH       TYR  21   0.954  -5.124  -5.610
  150    H    TYR  21           HN       TYR  21   8.469  -8.087  -4.252
  151    HA   TYR  21           HA       TYR  21   7.223  -6.426  -6.117
  152   1HB   TYR  21           HB2      TYR  21   6.108  -8.461  -5.546
  153   2HB   TYR  21           HB1      TYR  21   6.054  -8.036  -3.835
  154    HD1  TYR  21           HD1      TYR  21   4.474  -6.356  -2.994
  155    HD2  TYR  21           HD2      TYR  21   4.548  -7.471  -7.142
  156    HE1  TYR  21           HE1      TYR  21   2.282  -5.251  -3.329
  157    HE2  TYR  21           HE2      TYR  21   2.352  -6.368  -7.476
  158    HH   TYR  21           HH       TYR  21   1.115  -4.195  -5.796
  159    H    CYS  22           HN       CYS  22   7.524  -6.032  -2.639
  160    HA   CYS  22           HA       CYS  22   5.768  -3.762  -2.420
  161   1HB   CYS  22           HB2      CYS  22   7.346  -5.366  -0.683
  162   2HB   CYS  22           HB1      CYS  22   7.795  -3.683  -0.437
  163    H    ASN  23           HN       ASN  23   9.275  -4.073  -2.891
  164    HA   ASN  23           HA       ASN  23   9.809  -1.243  -2.689
  165   1HB   ASN  23           HB2      ASN  23  11.527  -3.086  -2.569
  166   2HB   ASN  23           HB1      ASN  23  11.311  -3.359  -4.289
  167   1HD2  ASN  23          HD22      ASN  23  14.137  -1.063  -4.257
  168   2HD2  ASN  23          HD21      ASN  23  13.795  -2.714  -4.055
  169    H    ASP  24           HN       ASP  24   9.773  -3.334  -5.571
  170    HA   ASP  24           HA       ASP  24   9.755  -1.342  -7.541
  171   1HB   ASP  24           HB2      ASP  24   9.770  -3.822  -7.954
  172   2HB   ASP  24           HB1      ASP  24   8.044  -3.840  -7.626
  173    H    LEU  25           HN       LEU  25   6.754  -2.992  -6.576
  174    HA   LEU  25           HA       LEU  25   4.898  -1.231  -7.601
  175   1HB   LEU  25           HB2      LEU  25   4.216  -3.272  -6.432
  176   2HB   LEU  25           HB1      LEU  25   4.771  -2.603  -4.897
  177    HG   LEU  25           HG       LEU  25   3.106  -0.615  -5.721
  178   1HD1  LEU  25          HD11      LEU  25   2.323  -3.116  -7.116
  179   2HD1  LEU  25          HD13      LEU  25   1.020  -2.226  -6.327
  180   3HD1  LEU  25          HD12      LEU  25   2.010  -1.437  -7.555
  181   1HD2  LEU  25          HD21      LEU  25   3.161  -1.853  -3.523
  182   2HD2  LEU  25          HD23      LEU  25   1.532  -1.479  -4.089
  183   3HD2  LEU  25          HD22      LEU  25   2.175  -3.111  -4.270
  184    H    CYS  26           HN       CYS  26   6.644  -0.865  -4.515
  185    HA   CYS  26           HA       CYS  26   5.339   1.419  -3.570
  186   1HB   CYS  26           HB2      CYS  26   7.961   0.086  -3.189
  187   2HB   CYS  26           HB1      CYS  26   7.871   1.737  -2.645
  188    H    LEU  27           HN       LEU  27   8.175   1.155  -5.681
  189    HA   LEU  27           HA       LEU  27   8.803   3.870  -5.918
  190   1HB   LEU  27           HB2      LEU  27   9.100   1.493  -7.718
  191   2HB   LEU  27           HB1      LEU  27   9.426   3.095  -8.378
  192    HG   LEU  27           HG       LEU  27  10.720   3.100  -5.903
  193   1HD1  LEU  27          HD12      LEU  27  10.282   0.440  -6.457
  194   2HD1  LEU  27          HD11      LEU  27  11.869   0.706  -7.176
  195   3HD1  LEU  27          HD13      LEU  27  11.607   1.053  -5.467
  196   1HD2  LEU  27          HD21      LEU  27  11.453   4.064  -8.108
  197   2HD2  LEU  27          HD23      LEU  27  12.738   3.210  -7.254
  198   3HD2  LEU  27          HD22      LEU  27  11.916   2.438  -8.611
  199    H    GLU  28           HN       GLU  28   6.363   1.934  -7.594
  200    HA   GLU  28           HA       GLU  28   5.542   4.038  -9.354
  201   1HB   GLU  28           HB2      GLU  28   5.028   1.362  -9.220
  202   2HB   GLU  28           HB1      GLU  28   3.505   2.039  -8.638
  203   1HG   GLU  28           HG2      GLU  28   4.897   2.646 -11.258
  204   2HG   GLU  28           HG1      GLU  28   3.335   1.856 -11.035
  205    NH1  ARG  29           NH2      ARG  29  -1.069   2.076  -6.914
  206    NH2  ARG  29           NH1      ARG  29   0.109   1.007  -8.519
  207    H    ARG  29           HN       ARG  29   4.710   3.143  -6.118
  208    HA   ARG  29           HA       ARG  29   2.351   4.819  -5.984
  209   1HB   ARG  29           HB2      ARG  29   3.940   3.610  -3.709
  210   2HB   ARG  29           HB1      ARG  29   2.293   4.234  -3.625
  211   1HG   ARG  29           HG2      ARG  29   3.179   1.913  -5.360
  212   2HG   ARG  29           HG1      ARG  29   2.334   1.758  -3.822
  213   1HD   ARG  29           HD2      ARG  29   0.343   2.160  -4.799
  214   2HD   ARG  29           HD1      ARG  29   0.960   3.618  -5.572
  215    HE   ARG  29           HE       ARG  29   2.028   1.532  -7.072
  216   1HH1  ARG  29          HH21      ARG  29  -1.100   2.568  -6.043
  217   2HH1  ARG  29          HH22      ARG  29  -1.912   1.920  -7.429
  218   1HH2  ARG  29          HH11      ARG  29   0.982   0.680  -8.880
  219   2HH2  ARG  29          HH12      ARG  29  -0.735   0.845  -9.030
  220    H    LYS  30           HN       LYS  30   5.467   5.638  -6.311
  221    HA   LYS  30           HA       LYS  30   6.483   7.759  -6.057
  222   1HB   LYS  30           HB2      LYS  30   3.994   8.538  -5.841
  223   2HB   LYS  30           HB1      LYS  30   4.343   8.586  -4.112
  224   1HG   LYS  30           HG2      LYS  30   6.348   9.852  -5.913
  225   2HG   LYS  30           HG1      LYS  30   4.807  10.689  -5.733
  226   1HD   LYS  30           HD2      LYS  30   5.342  10.055  -3.133
  227   2HD   LYS  30           HD1      LYS  30   6.975  10.287  -3.756
  228   1HE   LYS  30           HE2      LYS  30   4.683  12.262  -3.817
  229   2HE   LYS  30           HE1      LYS  30   6.233  12.433  -2.994
  230   1HZ   LYS  30           HZ2      LYS  30   7.290  12.287  -5.229
  231   2HZ   LYS  30           HZ1      LYS  30   5.740  12.399  -5.916
  232   3HZ   LYS  30           HZ3      LYS  30   6.348  13.680  -4.986
  233    H    ALA  31           HN       ALA  31   6.451   5.332  -4.097
  234    HA   ALA  31           HA       ALA  31   7.557   6.778  -1.738
  235   1HB   ALA  31           HB3      ALA  31   6.404   4.033  -2.116
  236   2HB   ALA  31           HB2      ALA  31   7.527   4.336  -0.791
  237   3HB   ALA  31           HB1      ALA  31   6.017   5.243  -0.892
  238    H    ASP  32           HN       ASP  32   9.654   6.341  -1.050
  239    HA   ASP  32           HA       ASP  32  11.556   5.658  -3.039
  240   1HB   ASP  32           HB2      ASP  32  11.646   7.018  -0.734
  241   2HB   ASP  32           HB1      ASP  32  12.266   5.484  -0.168
  242    H    LYS  33           HN       LYS  33  10.224   3.898  -0.242
  243    HA   LYS  33           HA       LYS  33  10.783   1.350  -1.586
  244   1HB   LYS  33           HB2      LYS  33  12.328   0.435   0.027
  245   2HB   LYS  33           HB1      LYS  33  12.995   1.962  -0.548
  246   1HG   LYS  33           HG2      LYS  33  11.238   2.036   1.871
  247   2HG   LYS  33           HG1      LYS  33  12.873   1.405   2.057
  248   1HD   LYS  33           HD2      LYS  33  12.735   3.860   0.460
  249   2HD   LYS  33           HD1      LYS  33  12.202   4.073   2.127
  250   1HE   LYS  33           HE2      LYS  33  14.277   3.410   3.005
  251   2HE   LYS  33           HE1      LYS  33  14.744   2.579   1.522
  252   1HZ   LYS  33           HZ2      LYS  33  14.245   5.282   0.949
  253   2HZ   LYS  33           HZ1      LYS  33  15.316   5.198   2.265
  254   3HZ   LYS  33           HZ3      LYS  33  15.703   4.422   0.807
  255    H    GLY  34           HN       GLY  34  10.148  -0.549  -0.082
  256   1HA   GLY  34           HA2      GLY  34   8.488   0.008   2.214
  257   2HA   GLY  34           HA1      GLY  34   7.505  -0.283   0.788
  258    OH   TYR  35           OH       TYR  35   6.724  -1.345   8.302
  259    H    TYR  35           HN       TYR  35   7.533  -2.002   3.107
  260    HA   TYR  35           HA       TYR  35   8.757  -4.430   1.858
  261   1HB   TYR  35           HB2      TYR  35   8.797  -5.384   4.202
  262   2HB   TYR  35           HB1      TYR  35   9.954  -4.111   3.871
  263    HD1  TYR  35           HD1      TYR  35   6.424  -4.527   5.064
  264    HD2  TYR  35           HD2      TYR  35  10.104  -2.342   5.411
  265    HE1  TYR  35           HE1      TYR  35   5.477  -3.237   6.949
  266    HE2  TYR  35           HE2      TYR  35   9.156  -1.050   7.297
  267    HH   TYR  35           HH       TYR  35   6.378  -1.972   8.942
  268    H    CYS  36           HN       CYS  36   7.651  -6.435   2.427
  269    HA   CYS  36           HA       CYS  36   4.740  -6.076   2.151
  270   1HB   CYS  36           HB2      CYS  36   5.728  -7.585   0.622
  271   2HB   CYS  36           HB1      CYS  36   6.630  -8.405   1.884
  272    OH   TYR  37           OH       TYR  37   1.779  -7.330  11.943
  273    H    TYR  37           HN       TYR  37   3.562  -5.960   3.983
  274    HA   TYR  37           HA       TYR  37   4.433  -7.535   6.363
  275   1HB   TYR  37           HB2      TYR  37   4.025  -5.091   6.690
  276   2HB   TYR  37           HB1      TYR  37   2.357  -5.323   6.167
  277    HD1  TYR  37           HD1      TYR  37   4.845  -6.136   8.789
  278    HD2  TYR  37           HD2      TYR  37   0.718  -6.348   7.616
  279    HE1  TYR  37           HE1      TYR  37   4.226  -6.806  11.094
  280    HE2  TYR  37           HE2      TYR  37   0.098  -7.020   9.924
  281    HH   TYR  37           HH       TYR  37   2.481  -7.886  12.290
  282    CH2  TRP  38           CH2      TRP  38  -0.149 -13.155   0.750
  283    H    TRP  38           HN       TRP  38   3.618  -9.571   5.868
  284    HA   TRP  38           HA       TRP  38   1.061 -10.018   4.654
  285   1HB   TRP  38           HB2      TRP  38   3.155 -11.696   5.926
  286   2HB   TRP  38           HB1      TRP  38   1.529 -12.376   5.886
  287    HD1  TRP  38           HD1      TRP  38   4.505 -11.756   3.742
  288    HE1  TRP  38           HE1      TRP  38   3.994 -12.434   1.306
  289    HE3  TRP  38           HE3      TRP  38  -0.550 -12.393   4.050
  290    HZ2  TRP  38           HZ2      TRP  38   1.733 -13.151  -0.299
  291    HZ3  TRP  38           HZ3      TRP  38  -1.857 -13.071   2.058
  292    HH2  TRP  38           HH2      TRP  38  -0.724 -13.451  -0.115
  293    H    GLY  39           HN       GLY  39   1.357 -11.850   7.588
  294   1HA   GLY  39           HA2      GLY  39  -0.245 -12.059   9.310
  295   2HA   GLY  39           HA1      GLY  39   0.051 -10.328   9.509
  296    H    LYS  40           HN       LYS  40  -1.291 -11.835   6.626
  297    HA   LYS  40           HA       LYS  40  -3.335 -11.497   5.536
  298   1HB   LYS  40           HB2      LYS  40  -3.958 -12.179   8.176
  299   2HB   LYS  40           HB1      LYS  40  -4.902 -10.719   7.875
  300   1HG   LYS  40           HG2      LYS  40  -6.294 -11.796   6.453
  301   2HG   LYS  40           HG1      LYS  40  -4.950 -12.561   5.605
  302   1HD   LYS  40           HD2      LYS  40  -5.837 -13.501   8.335
  303   2HD   LYS  40           HD1      LYS  40  -6.575 -14.120   6.857
  304   1HE   LYS  40           HE2      LYS  40  -3.665 -14.104   6.687
  305   2HE   LYS  40           HE1      LYS  40  -4.237 -15.069   8.045
  306   1HZ   LYS  40           HZ2      LYS  40  -5.526 -15.349   5.418
  307   2HZ   LYS  40           HZ1      LYS  40  -4.047 -16.131   5.711
  308   3HZ   LYS  40           HZ3      LYS  40  -5.396 -16.482   6.678
  309    H    VAL  41           HN       VAL  41  -1.675  -9.378   5.383
  310    HA   VAL  41           HA       VAL  41  -3.520  -7.063   5.747
  311    HB   VAL  41           HB       VAL  41  -0.536  -7.045   6.253
  312   1HG1  VAL  41          HG12      VAL  41  -2.276  -4.968   5.509
  313   2HG1  VAL  41          HG11      VAL  41  -2.067  -4.796   7.252
  314   3HG1  VAL  41          HG13      VAL  41  -0.659  -4.797   6.192
  315   1HG2  VAL  41          HG23      VAL  41  -2.743  -7.789   7.914
  316   2HG2  VAL  41          HG22      VAL  41  -1.041  -7.658   8.358
  317   3HG2  VAL  41          HG21      VAL  41  -2.101  -6.256   8.503
  318    H    SER  42           HN       SER  42  -0.447  -6.153   4.570
  319    HA   SER  42           HA       SER  42  -0.770  -6.887   1.800
  320   1HB   SER  42           HB2      SER  42  -2.290  -4.594   2.768
  321   2HB   SER  42           HB1      SER  42  -1.195  -4.169   1.457
  322    HG   SER  42           HG       SER  42  -2.725  -6.508   1.264
  323    H    CYS  43           HN       CYS  43   0.340  -4.709   0.559
  324    HA   CYS  43           HA       CYS  43   3.117  -4.824   1.429
  325   1HB   CYS  43           HB2      CYS  43   1.673  -4.135  -0.950
  326   2HB   CYS  43           HB1      CYS  43   2.682  -2.761  -0.512
  327    OH   TYR  44           OH       TYR  44   2.757   2.904   7.784
  328    H    TYR  44           HN       TYR  44   4.372  -2.908   1.967
  329    HA   TYR  44           HA       TYR  44   2.784  -0.608   3.003
  330   1HB   TYR  44           HB2      TYR  44   3.684  -2.336   4.760
  331   2HB   TYR  44           HB1      TYR  44   5.246  -1.585   4.432
  332    HD1  TYR  44           HD2      TYR  44   1.712  -0.748   5.273
  333    HD2  TYR  44           HD1      TYR  44   5.825   0.426   5.519
  334    HE1  TYR  44           HE2      TYR  44   1.084   1.131   6.740
  335    HE2  TYR  44           HE1      TYR  44   5.215   2.311   6.978
  336    HH   TYR  44           HH       TYR  44   1.799   2.965   7.798
  337    H    CYS  45           HN       CYS  45   3.566   1.294   2.167
  338    HA   CYS  45           HA       CYS  45   6.301   1.199   0.980
  339   1HB   CYS  45           HB2      CYS  45   3.895   2.881   0.296
  340   2HB   CYS  45           HB1      CYS  45   5.503   3.252  -0.300
  341    OH   TYR  46           OH       TYR  46   7.612   0.501   7.245
  342    H    TYR  46           HN       TYR  46   7.293   3.387   0.844
  343    HA   TYR  46           HA       TYR  46   6.845   5.130   3.202
  344   1HB   TYR  46           HB2      TYR  46   9.471   3.811   2.456
  345   2HB   TYR  46           HB1      TYR  46   9.321   5.120   3.626
  346    HD1  TYR  46           HD1      TYR  46   8.146   1.663   2.876
  347    HD2  TYR  46           HD2      TYR  46   8.757   4.660   5.860
  348    HE1  TYR  46           HE1      TYR  46   7.634   0.007   4.643
  349    HE2  TYR  46           HE2      TYR  46   8.239   3.026   7.634
  350    HH   TYR  46           HH       TYR  46   7.756   0.927   8.094
  351    H    GLY  47           HN       GLY  47   6.531   7.045   2.144
  352   1HA   GLY  47           HA2      GLY  47   7.916   8.861   0.996
  353   2HA   GLY  47           HA1      GLY  47   8.274   7.630  -0.215
  354    H    LEU  48           HN       LEU  48   5.141   7.206   0.945
  355    HA   LEU  48           HA       LEU  48   3.957   7.949  -1.575
  356   1HB   LEU  48           HB2      LEU  48   2.592   7.473   1.093
  357   2HB   LEU  48           HB1      LEU  48   1.825   7.431  -0.494
  358    HG   LEU  48           HG       LEU  48   4.067   5.590   0.388
  359   1HD1  LEU  48          HD12      LEU  48   1.327   5.536   1.061
  360   2HD1  LEU  48          HD11      LEU  48   1.534   4.322  -0.202
  361   3HD1  LEU  48          HD13      LEU  48   2.499   4.236   1.273
  362   1HD2  LEU  48          HD21      LEU  48   2.427   5.900  -2.126
  363   2HD2  LEU  48          HD23      LEU  48   4.178   5.756  -1.964
  364   3HD2  LEU  48          HD22      LEU  48   3.150   4.346  -1.707
  365    HA   PRO  49           HA       PRO  49   3.105  12.200  -1.075
  366   1HB   PRO  49           HB2      PRO  49   0.360  12.054  -1.910
  367   2HB   PRO  49           HB1      PRO  49   1.764  12.521  -2.882
  368   1HG   PRO  49           HG2      PRO  49   0.239  10.067  -3.035
  369   2HG   PRO  49           HG1      PRO  49   1.614  10.559  -4.033
  370   1HD   PRO  49           HD2      PRO  49   1.575   8.549  -1.975
  371   2HD   PRO  49           HD1      PRO  49   2.964   9.083  -2.943
  372    H    ASP  50           HN       ASP  50   2.041  13.622   0.428
  373    HA   ASP  50           HA       ASP  50   1.215  12.528   2.869
  374   1HB   ASP  50           HB2      ASP  50   1.324  15.174   1.634
  375   2HB   ASP  50           HB1      ASP  50   0.041  15.008   2.824
  376    H    ASN  51           HN       ASN  51  -0.771  13.992   0.352
  377    HA   ASN  51           HA       ASN  51  -3.248  13.284   1.586
  378   1HB   ASN  51           HB2      ASN  51  -4.169  13.983  -0.642
  379   2HB   ASN  51           HB1      ASN  51  -3.145  15.192   0.117
  380   1HD2  ASN  51          HD22      ASN  51  -1.890  15.003  -3.333
  381   2HD2  ASN  51          HD21      ASN  51  -3.239  15.624  -2.510
  382    H    SER  52           HN       SER  52  -0.971  11.427   0.013
  383    HA   SER  52           HA       SER  52  -2.233   9.745  -1.772
  384   1HB   SER  52           HB2      SER  52   0.076   9.375  -1.228
  385   2HB   SER  52           HB1      SER  52  -0.314   9.035   0.455
  386    HG   SER  52           HG       SER  52  -1.577   7.506  -1.504
  387    HA   PRO  53           HA       PRO  53  -5.690   8.372   0.764
  388   1HB   PRO  53           HB2      PRO  53  -6.628   6.781  -1.408
  389   2HB   PRO  53           HB1      PRO  53  -7.220   8.374  -0.915
  390   1HG   PRO  53           HG2      PRO  53  -5.631   7.692  -3.250
  391   2HG   PRO  53           HG1      PRO  53  -6.334   9.256  -2.821
  392   1HD   PRO  53           HD2      PRO  53  -3.569   8.496  -2.701
  393   2HD   PRO  53           HD1      PRO  53  -4.289  10.039  -2.200
  394    H    THR  54           HN       THR  54  -5.020   6.818   2.226
  395    HA   THR  54           HA       THR  54  -4.240   4.151   1.123
  396    HB   THR  54           HB       THR  54  -2.803   3.884   3.107
  397    HG1  THR  54           HG1      THR  54  -4.137   5.332   4.400
  398   1HG2  THR  54          HG23      THR  54  -2.397   5.602   0.928
  399   2HG2  THR  54          HG22      THR  54  -1.810   6.495   2.330
  400   3HG2  THR  54          HG21      THR  54  -1.153   4.901   1.964
  401    H    LYS  55           HN       LYS  55  -4.843   2.321   2.556
  402    HA   LYS  55           HA       LYS  55  -7.503   2.158   3.229
  403   1HB   LYS  55           HB2      LYS  55  -6.196   0.160   3.271
  404   2HB   LYS  55           HB1      LYS  55  -5.123   0.805   4.512
  405   1HG   LYS  55           HG2      LYS  55  -6.740  -0.801   5.475
  406   2HG   LYS  55           HG1      LYS  55  -6.979   0.820   6.127
  407   1HD   LYS  55           HD2      LYS  55  -9.162   0.042   5.585
  408   2HD   LYS  55           HD1      LYS  55  -8.725   1.139   4.275
  409   1HE   LYS  55           HE2      LYS  55  -8.037  -0.771   2.887
  410   2HE   LYS  55           HE1      LYS  55  -8.440  -1.880   4.198
  411   1HZ   LYS  55           HZ2      LYS  55 -10.659  -0.283   3.838
  412   2HZ   LYS  55           HZ1      LYS  55 -10.148  -0.699   2.272
  413   3HZ   LYS  55           HZ3      LYS  55 -10.492  -1.917   3.402
  414    H    THR  56           HN       THR  56  -8.719   3.365   4.594
  415    HA   THR  56           HA       THR  56  -7.494   4.917   6.737
  416    HB   THR  56           HB       THR  56 -10.352   4.514   5.848
  417    HG1  THR  56           HG1      THR  56  -8.914   5.843   4.605
  418   1HG2  THR  56          HG21      THR  56  -9.330   5.449   8.392
  419   2HG2  THR  56          HG23      THR  56 -10.200   6.735   7.558
  420   3HG2  THR  56          HG22      THR  56 -11.003   5.199   7.890
  421    H    SER  57           HN       SER  57 -10.439   3.104   7.176
  422    HA   SER  57           HA       SER  57  -9.289   1.130   8.921
  423   1HB   SER  57           HB2      SER  57 -10.445   1.971  11.000
  424   2HB   SER  57           HB1      SER  57  -9.099   2.977  10.472
  425    HG   SER  57           HG       SER  57 -11.194   4.034  11.002
  426    H    GLY  58           HN       GLY  58 -10.866   0.653   6.803
  427   1HA   GLY  58           HA2      GLY  58 -13.298  -0.444   8.058
  428   2HA   GLY  58           HA1      GLY  58 -13.572   0.705   6.748
  429    H    LYS  59           HN       LYS  59 -14.525  -1.768   6.271
  430    HA   LYS  59           HA       LYS  59 -12.613  -3.584   5.094
  431   1HB   LYS  59           HB2      LYS  59 -14.580  -4.725   4.173
  432   2HB   LYS  59           HB1      LYS  59 -14.879  -4.284   5.854
  433   1HG   LYS  59           HG2      LYS  59 -15.663  -2.064   4.262
  434   2HG   LYS  59           HG1      LYS  59 -16.359  -3.505   3.520
  435   1HD   LYS  59           HD2      LYS  59 -16.799  -3.985   6.189
  436   2HD   LYS  59           HD1      LYS  59 -16.989  -2.232   6.101
  437   1HE   LYS  59           HE2      LYS  59 -18.307  -3.301   3.832
  438   2HE   LYS  59           HE1      LYS  59 -18.803  -4.284   5.210
  439   1HZ   LYS  59           HZ2      LYS  59 -19.315  -2.222   6.408
  440   2HZ   LYS  59           HZ1      LYS  59 -18.933  -1.324   5.018
  441   3HZ   LYS  59           HZ3      LYS  59 -20.249  -2.394   4.999
  442    H    CYS  60           HN       CYS  60 -12.579  -4.089   2.708
  443    HA   CYS  60           HA       CYS  60 -12.527  -1.542   1.181
  444   1HB   CYS  60           HB2      CYS  60 -10.489  -2.875   1.085
  445   2HB   CYS  60           HB1      CYS  60 -11.401  -4.288   0.553
  446    H    ASN  61           HN       ASN  61 -13.617  -1.319  -0.812
  447    HA   ASN  61           HA       ASN  61 -15.700  -3.393  -1.357
  448   1HB   ASN  61           HB2      ASN  61 -16.735  -1.397  -0.378
  449   2HB   ASN  61           HB1      ASN  61 -15.948  -0.379  -1.582
  450   1HD2  ASN  61          HD22      ASN  61 -19.440  -2.082  -2.504
  451   2HD2  ASN  61          HD21      ASN  61 -18.824  -1.986  -0.925
  452    HA   PRO  62           HA       PRO  62 -13.196  -3.352  -5.124
  453   1HB   PRO  62           HB2      PRO  62 -14.994  -5.368  -6.126
  454   2HB   PRO  62           HB1      PRO  62 -13.310  -5.557  -5.623
  455   1HG   PRO  62           HG2      PRO  62 -15.673  -6.428  -4.218
  456   2HG   PRO  62           HG1      PRO  62 -13.985  -6.614  -3.721
  457   1HD   PRO  62           HD2      PRO  62 -15.955  -4.861  -2.584
  458   2HD   PRO  62           HD1      PRO  62 -14.239  -4.989  -2.144
  459    H    ALA  63           HN       ALA  63 -16.489  -4.296  -5.898
  460    HA   ALA  63           HA       ALA  63 -16.678  -1.900  -7.666
  461   1HB   ALA  63           HB3      ALA  63 -16.923  -4.331  -8.557
  462   2HB   ALA  63           HB2      ALA  63 -18.513  -4.287  -7.793
  463   3HB   ALA  63           HB1      ALA  63 -18.115  -3.134  -9.067
   
  Start of MODEL          10
 Raw file had  463 H/Q atoms
  Start of MODEL   10
    1   1H    LYS   1           HT3      LYS   1   4.668  13.651   4.096
    2   2H    LYS   1           HT2      LYS   1   5.005  14.100   2.493
    3   3H    LYS   1           HT1      LYS   1   3.398  14.037   3.039
    4    HA   LYS   1           HA       LYS   1   3.463  12.054   1.961
    5   1HB   LYS   1           HB2      LYS   1   5.558  10.686   1.855
    6   2HB   LYS   1           HB1      LYS   1   5.759  12.299   1.167
    7   1HG   LYS   1           HG2      LYS   1   6.317  12.519   3.941
    8   2HG   LYS   1           HG1      LYS   1   7.183  11.097   3.357
    9   1HD   LYS   1           HD2      LYS   1   7.360  13.927   2.294
   10   2HD   LYS   1           HD1      LYS   1   8.650  12.974   3.025
   11   1HE   LYS   1           HE2      LYS   1   7.412  12.706   0.300
   12   2HE   LYS   1           HE1      LYS   1   9.117  12.726   0.750
   13   1HZ   LYS   1           HZ2      LYS   1   8.411  10.572   2.038
   14   2HZ   LYS   1           HZ1      LYS   1   7.188  10.527   0.860
   15   3HZ   LYS   1           HZ3      LYS   1   8.817  10.513   0.389
   16    H    LYS   2           HN       LYS   2   3.661   9.675   2.809
   17    HA   LYS   2           HA       LYS   2   4.093   9.370   5.664
   18   1HB   LYS   2           HB2      LYS   2   1.869   9.020   6.395
   19   2HB   LYS   2           HB1      LYS   2   1.818  10.511   5.457
   20   1HG   LYS   2           HG2      LYS   2   1.424   8.317   3.661
   21   2HG   LYS   2           HG1      LYS   2   0.327   8.120   5.028
   22   1HD   LYS   2           HD2      LYS   2  -0.436  10.445   4.741
   23   2HD   LYS   2           HD1      LYS   2   0.644  10.623   3.357
   24   1HE   LYS   2           HE2      LYS   2  -1.068   9.866   2.080
   25   2HE   LYS   2           HE1      LYS   2  -0.765   8.285   2.798
   26   1HZ   LYS   2           HZ2      LYS   2  -2.526  10.324   4.037
   27   2HZ   LYS   2           HZ1      LYS   2  -3.096   9.105   2.997
   28   3HZ   LYS   2           HZ3      LYS   2  -2.366   8.689   4.472
   29    H    ASP   3           HN       ASP   3   4.033   7.157   6.315
   30    HA   ASP   3           HA       ASP   3   4.235   5.236   4.071
   31   1HB   ASP   3           HB2      ASP   3   4.485   4.455   6.948
   32   2HB   ASP   3           HB1      ASP   3   5.417   3.896   5.558
   33    H    GLY   4           HN       GLY   4   2.729   3.429   3.916
   34   1HA   GLY   4           HA2      GLY   4   0.806   2.785   5.908
   35   2HA   GLY   4           HA1      GLY   4   0.082   3.989   4.850
   36    OH   TYR   5           OH       TYR   5  -0.038  -3.096   7.765
   37    H    TYR   5           HN       TYR   5  -1.446   2.334   4.314
   38    HA   TYR   5           HA       TYR   5  -0.428   0.155   2.560
   39   1HB   TYR   5           HB2      TYR   5  -3.083   0.599   3.955
   40   2HB   TYR   5           HB1      TYR   5  -2.785  -0.727   2.849
   41    HD1  TYR   5           HD2      TYR   5  -0.799  -2.299   3.349
   42    HD2  TYR   5           HD1      TYR   5  -2.482   0.416   6.213
   43    HE1  TYR   5           HE2      TYR   5   0.191  -3.629   5.188
   44    HE2  TYR   5           HE1      TYR   5  -1.493  -0.913   8.055
   45    HH   TYR   5           HH       TYR   5  -0.149  -2.600   8.580
   46    HA   PRO   6           HA       PRO   6  -1.759   3.176  -0.616
   47   1HB   PRO   6           HB2      PRO   6  -0.543   1.431  -2.551
   48   2HB   PRO   6           HB1      PRO   6   0.036   3.001  -1.978
   49   1HG   PRO   6           HG2      PRO   6   1.115   0.396  -1.366
   50   2HG   PRO   6           HG1      PRO   6   1.694   1.970  -0.810
   51   1HD   PRO   6           HD2      PRO   6   0.322  -0.036   0.729
   52   2HD   PRO   6           HD1      PRO   6   0.882   1.558   1.267
   53    H    VAL   7           HN       VAL   7  -3.979   2.846  -0.843
   54    HA   VAL   7           HA       VAL   7  -4.869   0.334  -2.213
   55    HB   VAL   7           HB       VAL   7  -7.081   0.770  -1.305
   56   1HG1  VAL   7          HG13      VAL   7  -4.722   0.832   0.543
   57   2HG1  VAL   7          HG12      VAL   7  -6.338   0.997   1.229
   58   3HG1  VAL   7          HG11      VAL   7  -5.918  -0.442   0.300
   59   1HG2  VAL   7          HG21      VAL   7  -5.805   3.386  -0.551
   60   2HG2  VAL   7          HG23      VAL   7  -7.367   3.096  -1.316
   61   3HG2  VAL   7          HG22      VAL   7  -7.150   2.766   0.404
   62    H    ASP   8           HN       ASP   8  -6.309   0.561  -4.038
   63    HA   ASP   8           HA       ASP   8  -5.729   2.900  -5.655
   64   1HB   ASP   8           HB2      ASP   8  -7.004   1.818  -7.383
   65   2HB   ASP   8           HB1      ASP   8  -6.085   0.563  -6.554
   66    H    SER   9           HN       SER   9  -8.271   3.246  -6.941
   67    HA   SER   9           HA       SER   9  -9.419   5.211  -5.145
   68   1HB   SER   9           HB2      SER   9 -10.467   6.005  -7.011
   69   2HB   SER   9           HB1      SER   9  -9.333   4.951  -7.852
   70    HG   SER   9           HG       SER   9 -11.423   4.501  -8.540
   71    H    GLY  10           HN       GLY  10  -9.761   1.934  -5.116
   72   1HA   GLY  10           HA2      GLY  10 -12.631   2.101  -4.294
   73   2HA   GLY  10           HA1      GLY  10 -11.860   0.627  -4.882
   74    H    ASN  11           HN       ASN  11  -9.581   2.075  -3.010
   75    HA   ASN  11           HA       ASN  11  -8.939   1.874  -0.766
   76   1HB   ASN  11           HB2      ASN  11 -11.742   1.828  -0.581
   77   2HB   ASN  11           HB1      ASN  11 -11.201   0.392   0.292
   78   1HD2  ASN  11          HD22      ASN  11 -11.103   3.538   2.469
   79   2HD2  ASN  11          HD21      ASN  11 -12.301   2.959   1.414
   80    H    CYS  12           HN       CYS  12  -8.753  -0.070  -2.932
   81    HA   CYS  12           HA       CYS  12  -8.531  -2.627  -1.439
   82   1HB   CYS  12           HB2      CYS  12  -8.235  -2.088  -4.411
   83   2HB   CYS  12           HB1      CYS  12  -8.345  -3.658  -3.629
   84    H    LYS  13           HN       LYS  13  -6.548  -2.766  -0.475
   85    HA   LYS  13           HA       LYS  13  -4.279  -1.271  -1.512
   86   1HB   LYS  13           HB2      LYS  13  -4.978  -2.292   0.961
   87   2HB   LYS  13           HB1      LYS  13  -3.632  -3.319   0.455
   88   1HG   LYS  13           HG2      LYS  13  -2.980  -0.673  -0.294
   89   2HG   LYS  13           HG1      LYS  13  -3.559  -0.598   1.358
   90   1HD   LYS  13           HD2      LYS  13  -1.145  -1.022   1.335
   91   2HD   LYS  13           HD1      LYS  13  -1.994  -2.438   1.954
   92   1HE   LYS  13           HE2      LYS  13  -0.472  -3.336   0.405
   93   2HE   LYS  13           HE1      LYS  13  -1.980  -3.265  -0.499
   94   1HZ   LYS  13           HZ3      LYS  13  -1.232  -1.100  -1.375
   95   2HZ   LYS  13           HZ2      LYS  13   0.262  -1.324  -0.605
   96   3HZ   LYS  13           HZ1      LYS  13  -0.230  -2.384  -1.835
   97    OH   TYR  14           OH       TYR  14  -3.124   1.575  -6.274
   98    H    TYR  14           HN       TYR  14  -2.452  -2.041  -2.509
   99    HA   TYR  14           HA       TYR  14  -2.744  -4.433  -4.107
  100   1HB   TYR  14           HB2      TYR  14  -0.125  -3.034  -3.555
  101   2HB   TYR  14           HB1      TYR  14  -0.628  -3.882  -5.017
  102    HD1  TYR  14           HD1      TYR  14  -2.523  -2.940  -6.399
  103    HD2  TYR  14           HD2      TYR  14  -0.640  -0.734  -3.234
  104    HE1  TYR  14           HE1      TYR  14  -3.473  -0.841  -7.300
  105    HE2  TYR  14           HE2      TYR  14  -1.587   1.367  -4.134
  106    HH   TYR  14           HH       TYR  14  -3.973   1.718  -5.850
  107    H    GLU  15           HN       GLU  15  -2.274  -6.485  -3.540
  108    HA   GLU  15           HA       GLU  15  -1.170  -7.017  -0.872
  109   1HB   GLU  15           HB2      GLU  15  -1.725  -9.156  -2.896
  110   2HB   GLU  15           HB1      GLU  15  -1.932  -9.197  -1.145
  111   1HG   GLU  15           HG2      GLU  15  -3.604  -7.116  -2.066
  112   2HG   GLU  15           HG1      GLU  15  -3.856  -8.466  -3.174
  113    H    CYS  16           HN       CYS  16   0.465  -9.052  -0.887
  114    HA   CYS  16           HA       CYS  16   2.387  -8.984  -3.096
  115   1HB   CYS  16           HB2      CYS  16   4.252  -8.305  -1.426
  116   2HB   CYS  16           HB1      CYS  16   3.230  -7.039  -2.100
  117    H    LEU  17           HN       LEU  17   4.430 -10.267  -2.398
  118    HA   LEU  17           HA       LEU  17   3.813 -12.347  -0.367
  119   1HB   LEU  17           HB2      LEU  17   4.925 -13.220  -3.012
  120   2HB   LEU  17           HB1      LEU  17   4.000 -14.146  -1.831
  121    HG   LEU  17           HG       LEU  17   2.843 -11.874  -3.467
  122   1HD1  LEU  17          HD12      LEU  17   3.027 -14.835  -3.960
  123   2HD1  LEU  17          HD11      LEU  17   1.628 -13.935  -4.544
  124   3HD1  LEU  17          HD13      LEU  17   3.246 -13.505  -5.096
  125   1HD2  LEU  17          HD22      LEU  17   1.952 -13.148  -1.135
  126   2HD2  LEU  17          HD21      LEU  17   0.976 -12.164  -2.225
  127   3HD2  LEU  17          HD23      LEU  17   1.037 -13.914  -2.433
  128    H    LYS  18           HN       LYS  18   5.879 -10.049  -1.305
  129    HA   LYS  18           HA       LYS  18   8.154 -11.305   0.039
  130   1HB   LYS  18           HB2      LYS  18   7.991 -11.397  -2.820
  131   2HB   LYS  18           HB1      LYS  18   9.277 -10.273  -2.376
  132   1HG   LYS  18           HG2      LYS  18  10.620 -11.980  -1.790
  133   2HG   LYS  18           HG1      LYS  18   9.405 -12.583  -0.662
  134   1HD   LYS  18           HD2      LYS  18   8.338 -13.302  -3.098
  135   2HD   LYS  18           HD1      LYS  18  10.068 -13.514  -3.371
  136   1HE   LYS  18           HE2      LYS  18   9.501 -14.547  -0.785
  137   2HE   LYS  18           HE1      LYS  18   8.280 -15.195  -1.880
  138   1HZ   LYS  18           HZ1      LYS  18  11.180 -15.219  -2.489
  139   2HZ   LYS  18           HZ3      LYS  18  10.386 -16.508  -1.726
  140   3HZ   LYS  18           HZ2      LYS  18   9.941 -16.052  -3.300
  141    H    ASP  19           HN       ASP  19  10.117  -9.587  -0.202
  142    HA   ASP  19           HA       ASP  19   8.932  -7.010   0.628
  143   1HB   ASP  19           HB2      ASP  19  11.115  -8.487   1.510
  144   2HB   ASP  19           HB1      ASP  19  11.849  -7.156   0.617
  145    H    ASP  20           HN       ASP  20  10.461  -8.353  -2.159
  146    HA   ASP  20           HA       ASP  20  11.415  -5.759  -3.157
  147   1HB   ASP  20           HB2      ASP  20  11.303  -7.601  -5.305
  148   2HB   ASP  20           HB1      ASP  20  12.721  -7.096  -4.401
  149    OH   TYR  21           OH       TYR  21   1.109  -5.893  -6.104
  150    H    TYR  21           HN       TYR  21   8.597  -7.844  -3.563
  151    HA   TYR  21           HA       TYR  21   7.508  -6.500  -5.852
  152   1HB   TYR  21           HB2      TYR  21   6.555  -8.610  -5.262
  153   2HB   TYR  21           HB1      TYR  21   6.260  -8.096  -3.604
  154    HD1  TYR  21           HD2      TYR  21   4.598  -6.205  -3.189
  155    HD2  TYR  21           HD1      TYR  21   4.918  -8.247  -6.954
  156    HE1  TYR  21           HE2      TYR  21   2.348  -5.382  -3.826
  157    HE2  TYR  21           HE1      TYR  21   2.665  -7.421  -7.588
  158    HH   TYR  21           HH       TYR  21   0.501  -6.107  -5.392
  159    H    CYS  22           HN       CYS  22   7.332  -5.917  -2.372
  160    HA   CYS  22           HA       CYS  22   5.382  -3.776  -2.588
  161   1HB   CYS  22           HB2      CYS  22   7.250  -4.690  -0.402
  162   2HB   CYS  22           HB1      CYS  22   6.210  -3.281  -0.217
  163    H    ASN  23           HN       ASN  23   8.909  -3.879  -2.137
  164    HA   ASN  23           HA       ASN  23   9.346  -1.094  -1.897
  165   1HB   ASN  23           HB2      ASN  23  11.017  -3.043  -1.680
  166   2HB   ASN  23           HB1      ASN  23  11.163  -2.976  -3.429
  167   1HD2  ASN  23          HD22      ASN  23  13.768  -0.624  -2.707
  168   2HD2  ASN  23          HD21      ASN  23  13.451  -2.237  -3.133
  169    H    ASP  24           HN       ASP  24   9.468  -3.131  -4.794
  170    HA   ASP  24           HA       ASP  24   9.833  -1.037  -6.694
  171   1HB   ASP  24           HB2      ASP  24   9.971  -3.535  -7.134
  172   2HB   ASP  24           HB1      ASP  24   8.213  -3.555  -7.159
  173    H    LEU  25           HN       LEU  25   6.769  -2.795  -6.274
  174    HA   LEU  25           HA       LEU  25   5.056  -0.995  -7.504
  175   1HB   LEU  25           HB2      LEU  25   4.156  -3.081  -6.783
  176   2HB   LEU  25           HB1      LEU  25   4.662  -2.813  -5.119
  177    HG   LEU  25           HG       LEU  25   2.980  -0.651  -5.629
  178   1HD1  LEU  25          HD13      LEU  25   2.105  -3.103  -7.131
  179   2HD1  LEU  25          HD12      LEU  25   0.901  -2.040  -6.401
  180   3HD1  LEU  25          HD11      LEU  25   2.012  -1.411  -7.619
  181   1HD2  LEU  25          HD22      LEU  25   3.193  -2.272  -3.634
  182   2HD2  LEU  25          HD21      LEU  25   1.577  -1.672  -4.000
  183   3HD2  LEU  25          HD23      LEU  25   2.049  -3.296  -4.499
  184    H    CYS  26           HN       CYS  26   6.656  -0.659  -4.438
  185    HA   CYS  26           HA       CYS  26   4.995   1.419  -3.380
  186   1HB   CYS  26           HB2      CYS  26   7.581   0.121  -2.708
  187   2HB   CYS  26           HB1      CYS  26   7.313   1.711  -2.040
  188    H    LEU  27           HN       LEU  27   8.094   1.359  -5.098
  189    HA   LEU  27           HA       LEU  27   8.538   4.164  -5.039
  190   1HB   LEU  27           HB2      LEU  27   9.591   1.870  -6.658
  191   2HB   LEU  27           HB1      LEU  27   9.966   3.521  -7.158
  192    HG   LEU  27           HG       LEU  27  10.322   3.255  -4.307
  193   1HD1  LEU  27          HD12      LEU  27  11.082   0.941  -5.866
  194   2HD1  LEU  27          HD11      LEU  27  12.517   1.724  -5.204
  195   3HD1  LEU  27          HD13      LEU  27  11.224   1.200  -4.127
  196   1HD2  LEU  27          HD23      LEU  27  11.336   4.803  -6.221
  197   2HD2  LEU  27          HD22      LEU  27  12.259   4.446  -4.761
  198   3HD2  LEU  27          HD21      LEU  27  12.582   3.555  -6.248
  199    H    GLU  28           HN       GLU  28   6.789   2.035  -7.247
  200    HA   GLU  28           HA       GLU  28   6.382   3.910  -9.331
  201   1HB   GLU  28           HB2      GLU  28   5.825   1.320  -9.145
  202   2HB   GLU  28           HB1      GLU  28   4.241   1.941  -8.679
  203   1HG   GLU  28           HG2      GLU  28   5.195   3.430 -10.945
  204   2HG   GLU  28           HG1      GLU  28   5.302   1.706 -11.305
  205    NH1  ARG  29           NH2      ARG  29  -1.455   3.332  -7.168
  206    NH2  ARG  29           NH1      ARG  29  -1.052   2.104  -9.021
  207    H    ARG  29           HN       ARG  29   4.469   3.130  -6.486
  208    HA   ARG  29           HA       ARG  29   2.481   5.158  -7.044
  209   1HB   ARG  29           HB2      ARG  29   2.860   3.032  -5.097
  210   2HB   ARG  29           HB1      ARG  29   2.273   4.514  -4.340
  211   1HG   ARG  29           HG2      ARG  29   0.219   4.203  -5.204
  212   2HG   ARG  29           HG1      ARG  29   0.885   4.076  -6.833
  213   1HD   ARG  29           HD2      ARG  29   1.589   1.670  -5.600
  214   2HD   ARG  29           HD1      ARG  29  -0.059   1.969  -5.055
  215    HE   ARG  29           HE       ARG  29   0.650   1.027  -7.625
  216   1HH1  ARG  29          HH21      ARG  29  -1.272   3.542  -6.209
  217   2HH1  ARG  29          HH22      ARG  29  -2.175   3.825  -7.656
  218   1HH2  ARG  29          HH11      ARG  29  -0.549   1.376  -9.486
  219   2HH2  ARG  29          HH12      ARG  29  -1.784   2.589  -9.498
  220    H    LYS  30           HN       LYS  30   5.589   5.496  -6.224
  221    HA   LYS  30           HA       LYS  30   6.707   7.475  -5.580
  222   1HB   LYS  30           HB2      LYS  30   4.394   8.597  -5.952
  223   2HB   LYS  30           HB1      LYS  30   4.216   8.454  -4.203
  224   1HG   LYS  30           HG2      LYS  30   6.685   9.672  -5.445
  225   2HG   LYS  30           HG1      LYS  30   5.253  10.641  -5.099
  226   1HD   LYS  30           HD2      LYS  30   5.366   9.785  -2.716
  227   2HD   LYS  30           HD1      LYS  30   6.932   9.079  -3.116
  228   1HE   LYS  30           HE2      LYS  30   7.168  11.666  -4.070
  229   2HE   LYS  30           HE1      LYS  30   6.231  11.877  -2.590
  230   1HZ   LYS  30           HZ2      LYS  30   8.149  10.073  -1.904
  231   2HZ   LYS  30           HZ1      LYS  30   8.980  11.154  -2.917
  232   3HZ   LYS  30           HZ3      LYS  30   8.173  11.733  -1.542
  233    H    ALA  31           HN       ALA  31   7.448   5.488  -4.182
  234    HA   ALA  31           HA       ALA  31   7.165   6.358  -1.348
  235   1HB   ALA  31           HB1      ALA  31   7.005   3.520  -2.359
  236   2HB   ALA  31           HB3      ALA  31   7.198   3.959  -0.664
  237   3HB   ALA  31           HB2      ALA  31   5.735   4.421  -1.533
  238    H    ASP  32           HN       ASP  32   9.048   6.292  -0.221
  239    HA   ASP  32           HA       ASP  32  11.525   6.049  -1.646
  240   1HB   ASP  32           HB2      ASP  32  10.870   7.451   0.488
  241   2HB   ASP  32           HB1      ASP  32  11.360   5.995   1.339
  242    H    LYS  33           HN       LYS  33  10.038   4.200   1.009
  243    HA   LYS  33           HA       LYS  33  11.322   1.749  -0.071
  244   1HB   LYS  33           HB2      LYS  33  12.588   1.252   1.780
  245   2HB   LYS  33           HB1      LYS  33  12.608   3.005   1.944
  246   1HG   LYS  33           HG2      LYS  33  10.338   2.520   3.278
  247   2HG   LYS  33           HG1      LYS  33  11.120   0.965   3.540
  248   1HD   LYS  33           HD2      LYS  33  12.291   3.684   4.190
  249   2HD   LYS  33           HD1      LYS  33  11.697   2.501   5.355
  250   1HE   LYS  33           HE2      LYS  33  13.418   0.929   4.029
  251   2HE   LYS  33           HE1      LYS  33  14.207   2.483   3.753
  252   1HZ   LYS  33           HZ2      LYS  33  13.279   1.791   6.453
  253   2HZ   LYS  33           HZ1      LYS  33  14.730   1.119   5.878
  254   3HZ   LYS  33           HZ3      LYS  33  14.560   2.803   5.981
  255    H    GLY  34           HN       GLY  34  10.175  -0.193   0.549
  256   1HA   GLY  34           HA2      GLY  34   7.888  -0.022   2.341
  257   2HA   GLY  34           HA1      GLY  34   7.416  -0.067   0.647
  258    OH   TYR  35           OH       TYR  35   6.006  -2.009   8.133
  259    H    TYR  35           HN       TYR  35   7.516  -2.034   3.132
  260    HA   TYR  35           HA       TYR  35   8.658  -4.336   1.602
  261   1HB   TYR  35           HB2      TYR  35   8.627  -5.508   3.836
  262   2HB   TYR  35           HB1      TYR  35   9.732  -4.144   3.750
  263    HD1  TYR  35           HD1      TYR  35   6.229  -5.025   4.727
  264    HD2  TYR  35           HD2      TYR  35   9.578  -2.403   5.330
  265    HE1  TYR  35           HE1      TYR  35   5.059  -3.973   6.642
  266    HE2  TYR  35           HE2      TYR  35   8.408  -1.351   7.243
  267    HH   TYR  35           HH       TYR  35   5.777  -2.701   8.758
  268    H    CYS  36           HN       CYS  36   7.380  -6.419   2.763
  269    HA   CYS  36           HA       CYS  36   4.535  -5.904   2.038
  270   1HB   CYS  36           HB2      CYS  36   5.752  -7.478   0.622
  271   2HB   CYS  36           HB1      CYS  36   6.123  -8.475   2.022
  272    OH   TYR  37           OH       TYR  37   3.310  -5.296  12.026
  273    H    TYR  37           HN       TYR  37   3.618  -5.389   3.990
  274    HA   TYR  37           HA       TYR  37   4.212  -6.845   6.426
  275   1HB   TYR  37           HB2      TYR  37   3.123  -4.429   5.959
  276   2HB   TYR  37           HB1      TYR  37   1.639  -5.363   6.120
  277    HD1  TYR  37           HD2      TYR  37   1.925  -7.248   8.142
  278    HD2  TYR  37           HD1      TYR  37   3.807  -3.392   7.916
  279    HE1  TYR  37           HE2      TYR  37   2.198  -7.234  10.609
  280    HE2  TYR  37           HE1      TYR  37   4.080  -3.378  10.380
  281    HH   TYR  37           HH       TYR  37   2.875  -6.076  12.379
  282    CH2  TRP  38           CH2      TRP  38   2.375 -15.124   1.927
  283    H    TRP  38           HN       TRP  38   3.784  -9.042   6.195
  284    HA   TRP  38           HA       TRP  38   1.492 -10.064   4.782
  285   1HB   TRP  38           HB2      TRP  38   3.657 -11.211   6.474
  286   2HB   TRP  38           HB1      TRP  38   2.181 -12.163   6.323
  287    HD1  TRP  38           HD1      TRP  38   4.566 -10.255   3.936
  288    HE1  TRP  38           HE1      TRP  38   4.790 -11.645   1.775
  289    HE3  TRP  38           HE3      TRP  38   1.400 -14.106   5.033
  290    HZ2  TRP  38           HZ2      TRP  38   3.759 -14.067   0.659
  291    HZ3  TRP  38           HZ3      TRP  38   1.038 -15.940   3.407
  292    HH2  TRP  38           HH2      TRP  38   2.213 -15.927   1.223
  293    H    GLY  39           HN       GLY  39   1.707 -11.527   7.904
  294   1HA   GLY  39           HA2      GLY  39  -0.056 -11.844   9.443
  295   2HA   GLY  39           HA1      GLY  39   0.080 -10.090   9.588
  296    H    LYS  40           HN       LYS  40  -1.012 -12.009   6.792
  297    HA   LYS  40           HA       LYS  40  -2.990 -11.812   5.536
  298   1HB   LYS  40           HB2      LYS  40  -4.276 -11.215   8.220
  299   2HB   LYS  40           HB1      LYS  40  -5.045 -11.916   6.795
  300   1HG   LYS  40           HG2      LYS  40  -2.670 -13.396   7.698
  301   2HG   LYS  40           HG1      LYS  40  -3.980 -13.371   8.879
  302   1HD   LYS  40           HD2      LYS  40  -5.408 -13.874   6.641
  303   2HD   LYS  40           HD1      LYS  40  -3.880 -14.633   6.190
  304   1HE   LYS  40           HE2      LYS  40  -4.227 -15.461   8.808
  305   2HE   LYS  40           HE1      LYS  40  -5.870 -15.484   8.170
  306   1HZ   LYS  40           HZ3      LYS  40  -3.517 -16.791   6.915
  307   2HZ   LYS  40           HZ2      LYS  40  -4.736 -17.586   7.791
  308   3HZ   LYS  40           HZ1      LYS  40  -5.104 -16.825   6.318
  309    H    VAL  41           HN       VAL  41  -1.518  -9.599   5.309
  310    HA   VAL  41           HA       VAL  41  -3.526  -7.406   5.489
  311    HB   VAL  41           HB       VAL  41  -0.569  -7.104   6.078
  312   1HG1  VAL  41          HG12      VAL  41  -2.217  -5.192   5.140
  313   2HG1  VAL  41          HG11      VAL  41  -2.607  -5.082   6.856
  314   3HG1  VAL  41          HG13      VAL  41  -0.945  -4.853   6.314
  315   1HG2  VAL  41          HG21      VAL  41  -2.646  -8.115   7.721
  316   2HG2  VAL  41          HG23      VAL  41  -1.014  -7.664   8.210
  317   3HG2  VAL  41          HG22      VAL  41  -2.314  -6.475   8.277
  318    H    SER  42           HN       SER  42  -0.551  -6.246   4.394
  319    HA   SER  42           HA       SER  42  -0.613  -7.197   1.659
  320   1HB   SER  42           HB2      SER  42  -1.545  -4.351   1.954
  321   2HB   SER  42           HB1      SER  42  -1.631  -5.397   0.541
  322    HG   SER  42           HG       SER  42  -3.412  -5.053   2.525
  323    H    CYS  43           HN       CYS  43   0.342  -4.887   0.414
  324    HA   CYS  43           HA       CYS  43   3.088  -4.861   1.257
  325   1HB   CYS  43           HB2      CYS  43   1.444  -3.438  -0.776
  326   2HB   CYS  43           HB1      CYS  43   2.919  -2.625  -0.268
  327    OH   TYR  44           OH       TYR  44   2.366   2.068   8.436
  328    H    TYR  44           HN       TYR  44   4.192  -2.662   1.641
  329    HA   TYR  44           HA       TYR  44   2.584  -0.726   3.178
  330   1HB   TYR  44           HB2      TYR  44   3.421  -2.682   4.708
  331   2HB   TYR  44           HB1      TYR  44   4.990  -1.899   4.557
  332    HD1  TYR  44           HD2      TYR  44   1.525  -1.508   5.745
  333    HD2  TYR  44           HD1      TYR  44   5.417   0.268   5.578
  334    HE1  TYR  44           HE2      TYR  44   0.835   0.143   7.447
  335    HE2  TYR  44           HE1      TYR  44   4.745   1.924   7.288
  336    HH   TYR  44           HH       TYR  44   1.713   1.657   9.008
  337    H    CYS  45           HN       CYS  45   3.242   1.042   1.994
  338    HA   CYS  45           HA       CYS  45   6.083   1.241   1.184
  339   1HB   CYS  45           HB2      CYS  45   3.760   3.090   0.603
  340   2HB   CYS  45           HB1      CYS  45   5.370   3.229  -0.083
  341    OH   TYR  46           OH       TYR  46   7.163   0.230   7.819
  342    H    TYR  46           HN       TYR  46   7.056   3.453   1.369
  343    HA   TYR  46           HA       TYR  46   6.334   4.917   3.857
  344   1HB   TYR  46           HB2      TYR  46   9.044   3.765   3.176
  345   2HB   TYR  46           HB1      TYR  46   8.822   5.025   4.377
  346    HD1  TYR  46           HD1      TYR  46   8.014   1.493   3.526
  347    HD2  TYR  46           HD2      TYR  46   7.976   4.525   6.560
  348    HE1  TYR  46           HE1      TYR  46   7.508  -0.223   5.238
  349    HE2  TYR  46           HE2      TYR  46   7.459   2.815   8.272
  350    HH   TYR  46           HH       TYR  46   6.246   0.340   8.082
  351    H    GLY  47           HN       GLY  47   5.723   6.725   2.569
  352   1HA   GLY  47           HA2      GLY  47   7.043   8.862   1.926
  353   2HA   GLY  47           HA1      GLY  47   7.832   7.815   0.750
  354    H    LEU  48           HN       LEU  48   4.432   7.437   1.508
  355    HA   LEU  48           HA       LEU  48   3.732   7.899  -1.298
  356   1HB   LEU  48           HB2      LEU  48   1.984   7.330   1.118
  357   2HB   LEU  48           HB1      LEU  48   1.469   7.243  -0.563
  358    HG   LEU  48           HG       LEU  48   3.824   5.640   0.412
  359   1HD1  LEU  48          HD12      LEU  48   1.079   5.353   1.226
  360   2HD1  LEU  48          HD11      LEU  48   1.533   3.984   0.213
  361   3HD1  LEU  48          HD13      LEU  48   2.466   4.356   1.663
  362   1HD2  LEU  48          HD21      LEU  48   2.004   5.722  -1.964
  363   2HD2  LEU  48          HD23      LEU  48   3.750   5.492  -1.901
  364   3HD2  LEU  48          HD22      LEU  48   2.671   4.162  -1.481
  365    HA   PRO  49           HA       PRO  49   2.434  12.062  -1.229
  366   1HB   PRO  49           HB2      PRO  49  -0.333  11.447  -1.973
  367   2HB   PRO  49           HB1      PRO  49   0.922  12.268  -2.915
  368   1HG   PRO  49           HG2      PRO  49  -0.015   9.647  -3.371
  369   2HG   PRO  49           HG1      PRO  49   1.459  10.352  -4.048
  370   1HD   PRO  49           HD2      PRO  49   1.203   8.311  -1.972
  371   2HD   PRO  49           HD1      PRO  49   2.667   8.847  -2.819
  372    H    ASP  50           HN       ASP  50   1.190  13.561   0.060
  373    HA   ASP  50           HA       ASP  50   0.604  12.759   2.666
  374   1HB   ASP  50           HB2      ASP  50   0.404  15.175   1.110
  375   2HB   ASP  50           HB1      ASP  50  -0.966  15.010   2.200
  376    H    ASN  51           HN       ASN  51  -1.840  13.857   0.368
  377    HA   ASN  51           HA       ASN  51  -3.904  12.562   1.883
  378   1HB   ASN  51           HB2      ASN  51  -5.351  13.853   0.685
  379   2HB   ASN  51           HB1      ASN  51  -3.903  14.787   0.414
  380   1HD2  ASN  51          HD22      ASN  51  -5.620  14.132  -2.853
  381   2HD2  ASN  51          HD21      ASN  51  -6.104  14.820  -1.377
  382    H    SER  52           HN       SER  52  -1.707  11.127   0.098
  383    HA   SER  52           HA       SER  52  -2.916   9.689  -1.963
  384   1HB   SER  52           HB2      SER  52  -0.613   9.287  -1.607
  385   2HB   SER  52           HB1      SER  52  -0.858   8.872   0.086
  386    HG   SER  52           HG       SER  52  -1.556   6.925  -0.480
  387    HA   PRO  53           HA       PRO  53  -6.279   7.744   0.231
  388   1HB   PRO  53           HB2      PRO  53  -6.720   6.017  -2.023
  389   2HB   PRO  53           HB1      PRO  53  -7.652   7.443  -1.543
  390   1HG   PRO  53           HG2      PRO  53  -5.847   7.188  -3.778
  391   2HG   PRO  53           HG1      PRO  53  -6.779   8.611  -3.294
  392   1HD   PRO  53           HD2      PRO  53  -3.938   8.188  -3.044
  393   2HD   PRO  53           HD1      PRO  53  -4.874   9.616  -2.561
  394    H    THR  54           HN       THR  54  -5.650   6.298   1.792
  395    HA   THR  54           HA       THR  54  -4.431   3.723   0.882
  396    HB   THR  54           HB       THR  54  -3.094   3.660   2.901
  397    HG1  THR  54           HG1      THR  54  -4.936   5.394   3.754
  398   1HG2  THR  54          HG22      THR  54  -2.557   5.263   0.850
  399   2HG2  THR  54          HG21      THR  54  -2.731   6.510   2.085
  400   3HG2  THR  54          HG23      THR  54  -1.529   5.234   2.281
  401    H    LYS  55           HN       LYS  55  -4.869   1.929   2.545
  402    HA   LYS  55           HA       LYS  55  -7.539   1.390   2.895
  403   1HB   LYS  55           HB2      LYS  55  -5.071   0.491   4.229
  404   2HB   LYS  55           HB1      LYS  55  -6.530   0.287   5.199
  405   1HG   LYS  55           HG2      LYS  55  -7.017  -0.493   2.448
  406   2HG   LYS  55           HG1      LYS  55  -5.652  -1.389   3.119
  407   1HD   LYS  55           HD2      LYS  55  -7.024  -2.006   5.081
  408   2HD   LYS  55           HD1      LYS  55  -8.391  -1.127   4.395
  409   1HE   LYS  55           HE2      LYS  55  -6.995  -3.369   2.918
  410   2HE   LYS  55           HE1      LYS  55  -8.379  -3.644   3.975
  411   1HZ   LYS  55           HZ1      LYS  55  -8.627  -1.524   1.993
  412   2HZ   LYS  55           HZ3      LYS  55  -8.640  -3.115   1.409
  413   3HZ   LYS  55           HZ2      LYS  55  -9.791  -2.625   2.559
  414    H    THR  56           HN       THR  56  -8.927   2.990   3.613
  415    HA   THR  56           HA       THR  56  -8.268   4.478   6.076
  416    HB   THR  56           HB       THR  56 -10.501   4.704   4.059
  417    HG1  THR  56           HG1      THR  56  -9.299   6.244   3.306
  418   1HG2  THR  56          HG21      THR  56 -10.124   6.066   6.726
  419   2HG2  THR  56          HG23      THR  56 -11.069   6.800   5.431
  420   3HG2  THR  56          HG22      THR  56 -11.560   5.250   6.110
  421    H    SER  57           HN       SER  57 -11.335   3.118   5.017
  422    HA   SER  57           HA       SER  57 -11.495   1.393   7.351
  423   1HB   SER  57           HB2      SER  57 -13.333   2.446   8.422
  424   2HB   SER  57           HB1      SER  57 -12.219   3.761   8.058
  425    HG   SER  57           HG       SER  57 -13.545   3.751   5.959
  426    H    GLY  58           HN       GLY  58 -11.465   0.552   4.788
  427   1HA   GLY  58           HA2      GLY  58 -14.245  -0.424   4.427
  428   2HA   GLY  58           HA1      GLY  58 -13.458   0.348   3.049
  429    H    LYS  59           HN       LYS  59 -14.298  -2.379   3.046
  430    HA   LYS  59           HA       LYS  59 -11.716  -3.862   3.227
  431   1HB   LYS  59           HB2      LYS  59 -14.606  -4.677   3.323
  432   2HB   LYS  59           HB1      LYS  59 -13.390  -5.850   2.815
  433   1HG   LYS  59           HG2      LYS  59 -12.163  -5.560   4.888
  434   2HG   LYS  59           HG1      LYS  59 -13.231  -4.248   5.381
  435   1HD   LYS  59           HD2      LYS  59 -14.870  -5.671   6.063
  436   2HD   LYS  59           HD1      LYS  59 -14.614  -6.769   4.706
  437   1HE   LYS  59           HE2      LYS  59 -12.732  -6.552   7.068
  438   2HE   LYS  59           HE1      LYS  59 -14.015  -7.754   6.948
  439   1HZ   LYS  59           HZ1      LYS  59 -12.205  -7.500   4.674
  440   2HZ   LYS  59           HZ3      LYS  59 -11.573  -8.206   6.080
  441   3HZ   LYS  59           HZ2      LYS  59 -12.939  -8.886   5.329
  442    H    CYS  60           HN       CYS  60 -11.824  -2.147   1.089
  443    HA   CYS  60           HA       CYS  60 -11.571  -2.121  -1.244
  444   1HB   CYS  60           HB2      CYS  60 -10.151  -4.084  -0.861
  445   2HB   CYS  60           HB1      CYS  60 -11.571  -5.128  -0.827
  446    H    ASN  61           HN       ASN  61 -13.612  -1.243  -1.785
  447    HA   ASN  61           HA       ASN  61 -15.742  -3.240  -2.410
  448   1HB   ASN  61           HB2      ASN  61 -15.779  -0.660  -1.047
  449   2HB   ASN  61           HB1      ASN  61 -16.909  -0.719  -2.387
  450   1HD2  ASN  61          HD22      ASN  61 -17.516  -3.862   0.116
  451   2HD2  ASN  61          HD21      ASN  61 -16.016  -3.618  -0.637
  452    HA   PRO  62           HA       PRO  62 -15.031  -2.183  -6.642
  453   1HB   PRO  62           HB2      PRO  62 -17.706  -2.934  -7.373
  454   2HB   PRO  62           HB1      PRO  62 -16.223  -3.877  -7.575
  455   1HG   PRO  62           HG2      PRO  62 -18.361  -4.355  -5.708
  456   2HG   PRO  62           HG1      PRO  62 -16.860  -5.273  -5.889
  457   1HD   PRO  62           HD2      PRO  62 -17.588  -3.445  -3.765
  458   2HD   PRO  62           HD1      PRO  62 -16.113  -4.423  -3.915
  459    H    ALA  63           HN       ALA  63 -15.038   0.149  -6.183
  460    HA   ALA  63           HA       ALA  63 -17.140   1.567  -7.534
  461   1HB   ALA  63           HB1      ALA  63 -17.735   0.956  -4.861
  462   2HB   ALA  63           HB3      ALA  63 -17.207   2.639  -4.834
  463   3HB   ALA  63           HB2      ALA  63 -18.547   2.151  -5.871
   
  Start of MODEL          11
 Raw file had  463 H/Q atoms
  Start of MODEL   11
    1   1H    LYS   1           HT3      LYS   1   5.391  14.288   3.209
    2   2H    LYS   1           HT2      LYS   1   5.198  14.545   1.541
    3   3H    LYS   1           HT1      LYS   1   3.838  14.303   2.528
    4    HA   LYS   1           HA       LYS   1   4.248  12.290   1.331
    5   1HB   LYS   1           HB2      LYS   1   7.025  12.466   2.550
    6   2HB   LYS   1           HB1      LYS   1   6.419  11.142   1.554
    7   1HG   LYS   1           HG2      LYS   1   7.437  12.367  -0.106
    8   2HG   LYS   1           HG1      LYS   1   5.873  13.185  -0.107
    9   1HD   LYS   1           HD2      LYS   1   6.829  15.114   0.551
   10   2HD   LYS   1           HD1      LYS   1   7.565  14.317   1.941
   11   1HE   LYS   1           HE2      LYS   1   8.906  13.562  -0.521
   12   2HE   LYS   1           HE1      LYS   1   8.903  15.313  -0.313
   13   1HZ   LYS   1           HZ2      LYS   1   9.594  13.546   1.941
   14   2HZ   LYS   1           HZ1      LYS   1  10.763  13.935   0.771
   15   3HZ   LYS   1           HZ3      LYS   1  10.030  15.166   1.679
   16    H    LYS   2           HN       LYS   2   4.270  10.113   2.424
   17    HA   LYS   2           HA       LYS   2   4.561   9.900   5.280
   18   1HB   LYS   2           HB2      LYS   2   2.175   9.683   5.857
   19   2HB   LYS   2           HB1      LYS   2   2.538  11.299   5.248
   20   1HG   LYS   2           HG2      LYS   2   1.005  11.028   3.628
   21   2HG   LYS   2           HG1      LYS   2   1.914   9.648   3.006
   22   1HD   LYS   2           HD2      LYS   2   0.807   8.293   4.885
   23   2HD   LYS   2           HD1      LYS   2  -0.301   9.655   5.050
   24   1HE   LYS   2           HE2      LYS   2   0.012   8.904   2.261
   25   2HE   LYS   2           HE1      LYS   2  -0.525   7.531   3.230
   26   1HZ   LYS   2           HZ2      LYS   2  -1.788  10.197   3.452
   27   2HZ   LYS   2           HZ1      LYS   2  -2.306   9.050   2.311
   28   3HZ   LYS   2           HZ3      LYS   2  -2.395   8.697   3.967
   29    H    ASP   3           HN       ASP   3   4.164   7.705   5.997
   30    HA   ASP   3           HA       ASP   3   4.285   5.750   3.804
   31   1HB   ASP   3           HB2      ASP   3   4.121   4.951   6.677
   32   2HB   ASP   3           HB1      ASP   3   5.126   4.284   5.391
   33    H    GLY   4           HN       GLY   4   2.883   3.654   4.241
   34   1HA   GLY   4           HA2      GLY   4   0.611   3.329   5.642
   35   2HA   GLY   4           HA1      GLY   4   0.085   4.579   4.518
   36    OH   TYR   5           OH       TYR   5  -0.240  -2.698   7.469
   37    H    TYR   5           HN       TYR   5  -1.424   2.591   4.088
   38    HA   TYR   5           HA       TYR   5  -0.190   0.610   2.263
   39   1HB   TYR   5           HB2      TYR   5  -3.006   0.898   3.347
   40   2HB   TYR   5           HB1      TYR   5  -2.490  -0.389   2.258
   41    HD1  TYR   5           HD1      TYR   5  -0.778  -2.046   2.997
   42    HD2  TYR   5           HD2      TYR   5  -2.414   0.885   5.672
   43    HE1  TYR   5           HE1      TYR   5   0.056  -3.353   4.927
   44    HE2  TYR   5           HE2      TYR   5  -1.576  -0.420   7.607
   45    HH   TYR   5           HH       TYR   5  -0.501  -2.239   8.272
   46    HA   PRO   6           HA       PRO   6  -1.388   3.384  -1.061
   47   1HB   PRO   6           HB2      PRO   6  -0.451   1.518  -2.991
   48   2HB   PRO   6           HB1      PRO   6   0.409   2.936  -2.380
   49   1HG   PRO   6           HG2      PRO   6   0.968   0.141  -1.835
   50   2HG   PRO   6           HG1      PRO   6   1.877   1.563  -1.315
   51   1HD   PRO   6           HD2      PRO   6   0.167  -0.115   0.288
   52   2HD   PRO   6           HD1      PRO   6   1.082   1.316   0.804
   53    H    VAL   7           HN       VAL   7  -3.684   3.141  -0.989
   54    HA   VAL   7           HA       VAL   7  -4.785   0.643  -2.202
   55    HB   VAL   7           HB       VAL   7  -6.844   1.140  -1.115
   56   1HG1  VAL   7          HG13      VAL   7  -4.545   1.900   0.710
   57   2HG1  VAL   7          HG12      VAL   7  -6.148   1.403   1.254
   58   3HG1  VAL   7          HG11      VAL   7  -5.119   0.264   0.388
   59   1HG2  VAL   7          HG23      VAL   7  -5.631   3.884  -0.805
   60   2HG2  VAL   7          HG22      VAL   7  -7.196   3.442  -1.486
   61   3HG2  VAL   7          HG21      VAL   7  -6.937   3.355   0.256
   62    H    ASP   8           HN       ASP   8  -5.589   0.749  -4.249
   63    HA   ASP   8           HA       ASP   8  -5.367   3.084  -5.838
   64   1HB   ASP   8           HB2      ASP   8  -6.756   1.916  -7.489
   65   2HB   ASP   8           HB1      ASP   8  -5.584   0.804  -6.785
   66    H    SER   9           HN       SER   9  -7.843   3.486  -7.089
   67    HA   SER   9           HA       SER   9  -9.083   5.310  -5.229
   68   1HB   SER   9           HB2      SER   9 -10.383   6.003  -7.037
   69   2HB   SER   9           HB1      SER   9  -8.967   5.345  -7.855
   70    HG   SER   9           HG       SER   9 -11.557   4.317  -7.608
   71    H    GLY  10           HN       GLY  10  -9.610   1.969  -5.982
   72   1HA   GLY  10           HA2      GLY  10 -12.354   1.991  -4.904
   73   2HA   GLY  10           HA1      GLY  10 -11.504   0.584  -5.537
   74    H    ASN  11           HN       ASN  11  -9.479   2.239  -3.371
   75    HA   ASN  11           HA       ASN  11  -8.919   1.835  -1.117
   76   1HB   ASN  11           HB2      ASN  11 -11.557   1.971  -0.953
   77   2HB   ASN  11           HB1      ASN  11 -11.425   0.234  -0.710
   78   1HD2  ASN  11          HD22      ASN  11  -9.032   1.492   2.138
   79   2HD2  ASN  11          HD21      ASN  11  -8.593   1.122   0.543
   80    H    CYS  12           HN       CYS  12  -8.053   0.186  -3.172
   81    HA   CYS  12           HA       CYS  12  -8.061  -2.523  -1.920
   82   1HB   CYS  12           HB2      CYS  12  -8.259  -1.608  -4.703
   83   2HB   CYS  12           HB1      CYS  12  -7.043  -2.859  -4.455
   84    H    LYS  13           HN       LYS  13  -6.286  -2.245  -0.555
   85    HA   LYS  13           HA       LYS  13  -3.863  -0.914  -1.252
   86   1HB   LYS  13           HB2      LYS  13  -2.890  -2.439   0.569
   87   2HB   LYS  13           HB1      LYS  13  -4.244  -1.414   1.055
   88   1HG   LYS  13           HG2      LYS  13  -5.335  -3.806  -0.041
   89   2HG   LYS  13           HG1      LYS  13  -4.088  -4.273   1.113
   90   1HD   LYS  13           HD2      LYS  13  -5.177  -2.537   2.692
   91   2HD   LYS  13           HD1      LYS  13  -6.556  -2.610   1.593
   92   1HE   LYS  13           HE2      LYS  13  -7.108  -4.284   3.122
   93   2HE   LYS  13           HE1      LYS  13  -6.272  -5.212   1.878
   94   1HZ   LYS  13           HZ1      LYS  13  -4.804  -4.047   4.158
   95   2HZ   LYS  13           HZ3      LYS  13  -5.574  -5.552   4.294
   96   3HZ   LYS  13           HZ2      LYS  13  -4.347  -5.328   3.141
   97    OH   TYR  14           OH       TYR  14  -3.247   2.038  -6.581
   98    H    TYR  14           HN       TYR  14  -2.435  -1.517  -2.825
   99    HA   TYR  14           HA       TYR  14  -2.648  -3.891  -4.335
  100   1HB   TYR  14           HB2      TYR  14  -0.043  -2.431  -3.877
  101   2HB   TYR  14           HB1      TYR  14  -0.555  -3.318  -5.314
  102    HD1  TYR  14           HD1      TYR  14  -2.720  -2.485  -6.494
  103    HD2  TYR  14           HD2      TYR  14  -0.431  -0.140  -3.734
  104    HE1  TYR  14           HE1      TYR  14  -3.752  -0.425  -7.398
  105    HE2  TYR  14           HE2      TYR  14  -1.459   1.928  -4.633
  106    HH   TYR  14           HH       TYR  14  -3.410   2.634  -5.847
  107    H    GLU  15           HN       GLU  15  -2.635  -5.830  -3.359
  108    HA   GLU  15           HA       GLU  15  -1.227  -6.555  -1.002
  109   1HB   GLU  15           HB2      GLU  15  -2.061  -8.316  -3.322
  110   2HB   GLU  15           HB1      GLU  15  -1.650  -8.879  -1.703
  111   1HG   GLU  15           HG2      GLU  15  -3.674  -8.297  -0.866
  112   2HG   GLU  15           HG1      GLU  15  -3.669  -6.747  -1.710
  113    H    CYS  16           HN       CYS  16   0.412  -8.633  -1.301
  114    HA   CYS  16           HA       CYS  16   2.326  -8.199  -3.480
  115   1HB   CYS  16           HB2      CYS  16   4.184  -7.909  -1.634
  116   2HB   CYS  16           HB1      CYS  16   3.292  -6.519  -2.228
  117    H    LEU  17           HN       LEU  17   4.507  -9.445  -2.608
  118    HA   LEU  17           HA       LEU  17   3.697 -12.005  -1.342
  119   1HB   LEU  17           HB2      LEU  17   5.265 -11.865  -3.933
  120   2HB   LEU  17           HB1      LEU  17   4.690 -13.319  -3.114
  121    HG   LEU  17           HG       LEU  17   2.802 -11.156  -4.055
  122   1HD1  LEU  17          HD12      LEU  17   4.110 -12.030  -5.984
  123   2HD1  LEU  17          HD11      LEU  17   3.623 -13.667  -5.545
  124   3HD1  LEU  17          HD13      LEU  17   2.412 -12.497  -6.063
  125   1HD2  LEU  17          HD23      LEU  17   2.489 -14.089  -3.342
  126   2HD2  LEU  17          HD22      LEU  17   1.911 -12.716  -2.399
  127   3HD2  LEU  17          HD21      LEU  17   1.195 -13.069  -3.971
  128    H    LYS  18           HN       LYS  18   6.294  -9.885  -2.530
  129    HA   LYS  18           HA       LYS  18   7.999 -10.925  -0.311
  130   1HB   LYS  18           HB2      LYS  18   8.570 -11.564  -2.851
  131   2HB   LYS  18           HB1      LYS  18   9.325  -9.969  -2.808
  132   1HG   LYS  18           HG2      LYS  18  10.864 -10.592  -1.173
  133   2HG   LYS  18           HG1      LYS  18   9.836 -11.886  -0.556
  134   1HD   LYS  18           HD2      LYS  18  11.238 -11.906  -3.245
  135   2HD   LYS  18           HD1      LYS  18  11.785 -12.773  -1.810
  136   1HE   LYS  18           HE2      LYS  18  10.353 -14.459  -2.215
  137   2HE   LYS  18           HE1      LYS  18   8.994 -13.337  -2.304
  138   1HZ   LYS  18           HZ2      LYS  18  10.515 -12.997  -4.609
  139   2HZ   LYS  18           HZ1      LYS  18  10.308 -14.669  -4.401
  140   3HZ   LYS  18           HZ3      LYS  18   8.954 -13.652  -4.480
  141    H    ASP  19           HN       ASP  19  10.039  -9.210  -0.291
  142    HA   ASP  19           HA       ASP  19   8.756  -6.662   0.393
  143   1HB   ASP  19           HB2      ASP  19  10.800  -8.025   1.520
  144   2HB   ASP  19           HB1      ASP  19  11.715  -6.926   0.487
  145    H    ASP  20           HN       ASP  20  10.390  -7.956  -2.336
  146    HA   ASP  20           HA       ASP  20  11.367  -5.350  -3.278
  147   1HB   ASP  20           HB2      ASP  20  11.372  -7.141  -5.449
  148   2HB   ASP  20           HB1      ASP  20  12.742  -6.687  -4.447
  149    OH   TYR  21           OH       TYR  21   1.544  -5.708  -7.712
  150    H    TYR  21           HN       TYR  21   8.533  -7.387  -3.735
  151    HA   TYR  21           HA       TYR  21   7.592  -5.991  -6.094
  152   1HB   TYR  21           HB2      TYR  21   6.714  -8.214  -5.544
  153   2HB   TYR  21           HB1      TYR  21   6.067  -7.603  -4.021
  154    HD1  TYR  21           HD2      TYR  21   6.041  -5.482  -7.011
  155    HD2  TYR  21           HD1      TYR  21   3.765  -8.252  -4.649
  156    HE1  TYR  21           HE2      TYR  21   3.971  -4.767  -8.172
  157    HE2  TYR  21           HE1      TYR  21   1.691  -7.537  -5.808
  158    HH   TYR  21           HH       TYR  21   1.054  -6.498  -7.959
  159    H    CYS  22           HN       CYS  22   7.410  -5.454  -2.645
  160    HA   CYS  22           HA       CYS  22   5.361  -3.364  -2.867
  161   1HB   CYS  22           HB2      CYS  22   7.070  -4.432  -0.628
  162   2HB   CYS  22           HB1      CYS  22   6.111  -2.970  -0.422
  163    H    ASN  23           HN       ASN  23   8.854  -3.528  -2.266
  164    HA   ASN  23           HA       ASN  23   9.320  -0.743  -1.899
  165   1HB   ASN  23           HB2      ASN  23  10.897  -2.814  -1.672
  166   2HB   ASN  23           HB1      ASN  23  11.212  -2.573  -3.380
  167   1HD2  ASN  23          HD22      ASN  23  13.685  -0.215  -2.507
  168   2HD2  ASN  23          HD21      ASN  23  13.285  -1.621  -3.370
  169    H    ASP  24           HN       ASP  24   9.421  -2.760  -4.828
  170    HA   ASP  24           HA       ASP  24   9.998  -0.628  -6.662
  171   1HB   ASP  24           HB2      ASP  24  10.126  -3.095  -7.181
  172   2HB   ASP  24           HB1      ASP  24   8.369  -3.114  -7.250
  173    H    LEU  25           HN       LEU  25   6.889  -2.337  -6.352
  174    HA   LEU  25           HA       LEU  25   5.230  -0.552  -7.667
  175   1HB   LEU  25           HB2      LEU  25   4.301  -2.589  -6.810
  176   2HB   LEU  25           HB1      LEU  25   4.771  -2.190  -5.162
  177    HG   LEU  25           HG       LEU  25   3.151  -0.052  -5.875
  178   1HD1  LEU  25          HD13      LEU  25   2.259  -2.592  -7.221
  179   2HD1  LEU  25          HD12      LEU  25   1.064  -1.437  -6.626
  180   3HD1  LEU  25          HD11      LEU  25   2.240  -0.944  -7.846
  181   1HD2  LEU  25          HD21      LEU  25   2.698  -2.631  -4.374
  182   2HD2  LEU  25          HD23      LEU  25   2.944  -1.009  -3.722
  183   3HD2  LEU  25          HD22      LEU  25   1.417  -1.427  -4.500
  184    H    CYS  26           HN       CYS  26   6.735  -0.202  -4.554
  185    HA   CYS  26           HA       CYS  26   5.197   2.011  -3.617
  186   1HB   CYS  26           HB2      CYS  26   7.682   0.573  -2.845
  187   2HB   CYS  26           HB1      CYS  26   7.488   2.192  -2.213
  188    H    LEU  27           HN       LEU  27   8.382   1.745  -5.192
  189    HA   LEU  27           HA       LEU  27   9.049   4.480  -5.199
  190   1HB   LEU  27           HB2      LEU  27   9.738   2.201  -7.054
  191   2HB   LEU  27           HB1      LEU  27  10.352   3.830  -7.332
  192    HG   LEU  27           HG       LEU  27  10.730   2.242  -4.777
  193   1HD1  LEU  27          HD12      LEU  27  12.097   2.149  -7.293
  194   2HD1  LEU  27          HD11      LEU  27  13.169   2.888  -6.105
  195   3HD1  LEU  27          HD13      LEU  27  12.491   1.289  -5.804
  196   1HD2  LEU  27          HD23      LEU  27  11.193   5.047  -5.571
  197   2HD2  LEU  27          HD22      LEU  27  11.061   4.343  -3.960
  198   3HD2  LEU  27          HD21      LEU  27  12.591   4.266  -4.833
  199    H    GLU  28           HN       GLU  28   7.267   2.515  -7.570
  200    HA   GLU  28           HA       GLU  28   6.810   4.465  -9.511
  201   1HB   GLU  28           HB2      GLU  28   6.058   2.011  -9.533
  202   2HB   GLU  28           HB1      GLU  28   4.663   2.552  -8.599
  203   1HG   GLU  28           HG2      GLU  28   3.661   3.345 -10.450
  204   2HG   GLU  28           HG1      GLU  28   5.084   4.306 -10.855
  205    NH1  ARG  29           NH2      ARG  29  -0.711   4.324  -4.600
  206    NH2  ARG  29           NH1      ARG  29  -1.552   4.065  -6.677
  207    H    ARG  29           HN       ARG  29   5.101   3.817  -6.528
  208    HA   ARG  29           HA       ARG  29   3.110   5.811  -6.767
  209   1HB   ARG  29           HB2      ARG  29   4.084   4.042  -4.726
  210   2HB   ARG  29           HB1      ARG  29   3.840   5.649  -4.042
  211   1HG   ARG  29           HG2      ARG  29   1.701   4.850  -3.816
  212   2HG   ARG  29           HG1      ARG  29   1.574   5.479  -5.460
  213   1HD   ARG  29           HD2      ARG  29   2.591   2.997  -5.933
  214   2HD   ARG  29           HD1      ARG  29   1.612   2.674  -4.505
  215    HE   ARG  29           HE       ARG  29   0.617   3.025  -7.143
  216   1HH1  ARG  29          HH21      ARG  29   0.022   4.189  -3.938
  217   2HH1  ARG  29          HH22      ARG  29  -1.566   4.756  -4.314
  218   1HH2  ARG  29          HH11      ARG  29  -1.457   3.736  -7.617
  219   2HH2  ARG  29          HH12      ARG  29  -2.406   4.490  -6.380
  220    H    LYS  30           HN       LYS  30   6.356   5.894  -5.508
  221    HA   LYS  30           HA       LYS  30   7.713   7.969  -5.948
  222   1HB   LYS  30           HB2      LYS  30   6.866  10.115  -5.297
  223   2HB   LYS  30           HB1      LYS  30   5.611   9.371  -6.283
  224   1HG   LYS  30           HG2      LYS  30   4.198   9.743  -4.559
  225   2HG   LYS  30           HG1      LYS  30   5.068   8.480  -3.687
  226   1HD   LYS  30           HD2      LYS  30   5.007  10.527  -2.338
  227   2HD   LYS  30           HD1      LYS  30   6.664  10.195  -2.843
  228   1HE   LYS  30           HE2      LYS  30   5.619  12.622  -3.127
  229   2HE   LYS  30           HE1      LYS  30   6.709  11.962  -4.344
  230   1HZ   LYS  30           HZ2      LYS  30   3.749  11.730  -4.454
  231   2HZ   LYS  30           HZ1      LYS  30   4.646  12.918  -5.276
  232   3HZ   LYS  30           HZ3      LYS  30   4.855  11.281  -5.664
  233    H    ALA  31           HN       ALA  31   6.624   6.006  -3.632
  234    HA   ALA  31           HA       ALA  31   7.475   7.401  -1.230
  235   1HB   ALA  31           HB3      ALA  31   6.781   4.549  -1.896
  236   2HB   ALA  31           HB2      ALA  31   7.510   4.950  -0.340
  237   3HB   ALA  31           HB1      ALA  31   5.962   5.660  -0.798
  238    H    ASP  32           HN       ASP  32   9.381   6.890   0.007
  239    HA   ASP  32           HA       ASP  32  11.737   6.525  -1.614
  240   1HB   ASP  32           HB2      ASP  32  11.273   7.948   0.586
  241   2HB   ASP  32           HB1      ASP  32  11.825   6.471   1.360
  242    H    LYS  33           HN       LYS  33  10.196   4.752   1.070
  243    HA   LYS  33           HA       LYS  33  11.449   2.258   0.006
  244   1HB   LYS  33           HB2      LYS  33  12.951   2.939   1.774
  245   2HB   LYS  33           HB1      LYS  33  11.606   3.258   2.866
  246   1HG   LYS  33           HG2      LYS  33  11.271   0.591   2.013
  247   2HG   LYS  33           HG1      LYS  33  12.987   0.767   2.360
  248   1HD   LYS  33           HD2      LYS  33  12.425   1.730   4.577
  249   2HD   LYS  33           HD1      LYS  33  10.712   1.486   4.232
  250   1HE   LYS  33           HE2      LYS  33  10.898  -0.607   5.034
  251   2HE   LYS  33           HE1      LYS  33  11.978  -0.983   3.692
  252   1HZ   LYS  33           HZ3      LYS  33  13.144   0.473   5.923
  253   2HZ   LYS  33           HZ2      LYS  33  12.713  -1.141   6.229
  254   3HZ   LYS  33           HZ1      LYS  33  13.801  -0.773   4.979
  255    H    GLY  34           HN       GLY  34  10.196   0.351   0.468
  256   1HA   GLY  34           HA2      GLY  34   7.832   0.556   2.171
  257   2HA   GLY  34           HA1      GLY  34   7.455   0.494   0.455
  258    OH   TYR  35           OH       TYR  35   5.833  -1.543   7.984
  259    H    TYR  35           HN       TYR  35   7.248  -1.479   2.866
  260    HA   TYR  35           HA       TYR  35   8.497  -3.771   1.409
  261   1HB   TYR  35           HB2      TYR  35   8.506  -4.937   3.631
  262   2HB   TYR  35           HB1      TYR  35   9.573  -3.546   3.548
  263    HD1  TYR  35           HD2      TYR  35   6.127  -4.562   4.581
  264    HD2  TYR  35           HD1      TYR  35   9.359  -1.780   5.103
  265    HE1  TYR  35           HE2      TYR  35   4.950  -3.558   6.519
  266    HE2  TYR  35           HE1      TYR  35   8.181  -0.775   7.038
  267    HH   TYR  35           HH       TYR  35   5.111  -2.127   8.228
  268    H    CYS  36           HN       CYS  36   7.294  -5.873   2.425
  269    HA   CYS  36           HA       CYS  36   4.423  -5.440   1.767
  270   1HB   CYS  36           HB2      CYS  36   5.670  -6.971   0.322
  271   2HB   CYS  36           HB1      CYS  36   6.131  -7.938   1.714
  272    OH   TYR  37           OH       TYR  37   3.376  -5.653  11.888
  273    H    TYR  37           HN       TYR  37   3.445  -5.039   3.750
  274    HA   TYR  37           HA       TYR  37   4.173  -6.636   6.105
  275   1HB   TYR  37           HB2      TYR  37   3.268  -4.136   5.939
  276   2HB   TYR  37           HB1      TYR  37   1.703  -4.942   6.018
  277    HD1  TYR  37           HD2      TYR  37   2.745  -7.345   7.700
  278    HD2  TYR  37           HD1      TYR  37   3.125  -3.087   8.128
  279    HE1  TYR  37           HE2      TYR  37   3.017  -7.616  10.148
  280    HE2  TYR  37           HE1      TYR  37   3.395  -3.358  10.579
  281    HH   TYR  37           HH       TYR  37   3.974  -4.969  12.198
  282    CH2  TRP  38           CH2      TRP  38   0.201 -14.612   1.793
  283    H    TRP  38           HN       TRP  38   3.605  -8.774   5.703
  284    HA   TRP  38           HA       TRP  38   1.151  -9.518   4.393
  285   1HB   TRP  38           HB2      TRP  38   3.460 -10.888   5.508
  286   2HB   TRP  38           HB1      TRP  38   1.964 -11.730   5.904
  287    HD1  TRP  38           HD1      TRP  38   3.738 -10.251   2.806
  288    HE1  TRP  38           HE1      TRP  38   3.055 -11.655   0.754
  289    HE3  TRP  38           HE3      TRP  38   0.391 -13.430   4.987
  290    HZ2  TRP  38           HZ2      TRP  38   1.317 -13.838   0.121
  291    HZ3  TRP  38           HZ3      TRP  38  -0.765 -15.160   3.638
  292    HH2  TRP  38           HH2      TRP  38  -0.306 -15.367   1.211
  293    H    GLY  39           HN       GLY  39   1.691 -11.087   7.487
  294   1HA   GLY  39           HA2      GLY  39   0.054 -11.497   9.147
  295   2HA   GLY  39           HA1      GLY  39   0.116  -9.737   9.288
  296    H    LYS  40           HN       LYS  40  -0.937 -11.362   6.370
  297    HA   LYS  40           HA       LYS  40  -3.023 -11.431   5.299
  298   1HB   LYS  40           HB2      LYS  40  -3.683 -12.249   7.728
  299   2HB   LYS  40           HB1      LYS  40  -4.409 -10.645   7.846
  300   1HG   LYS  40           HG2      LYS  40  -5.047 -11.870   5.295
  301   2HG   LYS  40           HG1      LYS  40  -5.542 -12.912   6.631
  302   1HD   LYS  40           HD2      LYS  40  -6.687 -10.960   7.680
  303   2HD   LYS  40           HD1      LYS  40  -6.269  -9.991   6.268
  304   1HE   LYS  40           HE2      LYS  40  -7.646 -11.282   4.833
  305   2HE   LYS  40           HE1      LYS  40  -7.782 -12.592   6.007
  306   1HZ   LYS  40           HZ1      LYS  40  -8.719  -9.935   6.799
  307   2HZ   LYS  40           HZ3      LYS  40  -9.676 -10.812   5.707
  308   3HZ   LYS  40           HZ2      LYS  40  -9.312 -11.468   7.231
  309    H    VAL  41           HN       VAL  41  -1.629  -9.192   4.884
  310    HA   VAL  41           HA       VAL  41  -3.711  -7.079   5.032
  311    HB   VAL  41           HB       VAL  41  -0.798  -6.595   5.709
  312   1HG1  VAL  41          HG11      VAL  41  -3.260  -4.827   5.796
  313   2HG1  VAL  41          HG13      VAL  41  -1.668  -4.370   6.403
  314   3HG1  VAL  41          HG12      VAL  41  -1.904  -4.666   4.681
  315   1HG2  VAL  41          HG21      VAL  41  -3.265  -6.945   7.423
  316   2HG2  VAL  41          HG23      VAL  41  -1.720  -7.788   7.555
  317   3HG2  VAL  41          HG22      VAL  41  -1.838  -6.087   8.001
  318    H    SER  42           HN       SER  42  -0.676  -5.885   3.998
  319    HA   SER  42           HA       SER  42  -0.726  -6.784   1.250
  320   1HB   SER  42           HB2      SER  42  -2.472  -4.549   2.038
  321   2HB   SER  42           HB1      SER  42  -1.440  -4.206   0.660
  322    HG   SER  42           HG       SER  42  -2.868  -5.316  -0.406
  323    H    CYS  43           HN       CYS  43   0.193  -4.413   0.029
  324    HA   CYS  43           HA       CYS  43   2.938  -4.395   0.852
  325   1HB   CYS  43           HB2      CYS  43   1.274  -2.984  -1.157
  326   2HB   CYS  43           HB1      CYS  43   2.714  -2.121  -0.634
  327    OH   TYR  44           OH       TYR  44   2.019   2.593   7.887
  328    H    TYR  44           HN       TYR  44   4.051  -2.167   1.173
  329    HA   TYR  44           HA       TYR  44   2.507  -0.208   2.712
  330   1HB   TYR  44           HB2      TYR  44   3.243  -2.196   4.265
  331   2HB   TYR  44           HB1      TYR  44   4.825  -1.419   4.185
  332    HD1  TYR  44           HD1      TYR  44   5.031   1.034   4.846
  333    HD2  TYR  44           HD2      TYR  44   1.487  -1.282   5.557
  334    HE1  TYR  44           HE1      TYR  44   4.271   2.706   6.502
  335    HE2  TYR  44           HE2      TYR  44   0.717   0.387   7.199
  336    HH   TYR  44           HH       TYR  44   2.770   2.825   8.440
  337    H    CYS  45           HN       CYS  45   3.279   1.635   1.800
  338    HA   CYS  45           HA       CYS  45   6.137   1.748   0.975
  339   1HB   CYS  45           HB2      CYS  45   3.847   3.660   0.445
  340   2HB   CYS  45           HB1      CYS  45   5.475   3.840  -0.177
  341    OH   TYR  46           OH       TYR  46   6.619   0.686   7.787
  342    H    TYR  46           HN       TYR  46   7.130   3.974   1.296
  343    HA   TYR  46           HA       TYR  46   6.342   5.303   3.826
  344   1HB   TYR  46           HB2      TYR  46   9.033   4.046   3.257
  345   2HB   TYR  46           HB1      TYR  46   8.832   5.320   4.449
  346    HD1  TYR  46           HD1      TYR  46   7.773   1.867   3.536
  347    HD2  TYR  46           HD2      TYR  46   7.884   4.885   6.577
  348    HE1  TYR  46           HE1      TYR  46   7.027   0.205   5.217
  349    HE2  TYR  46           HE2      TYR  46   7.138   3.233   8.261
  350    HH   TYR  46           HH       TYR  46   5.958   1.103   8.345
  351    H    GLY  47           HN       GLY  47   5.782   7.112   2.579
  352   1HA   GLY  47           HA2      GLY  47   7.094   9.302   2.100
  353   2HA   GLY  47           HA1      GLY  47   7.942   8.320   0.907
  354    H    LEU  48           HN       LEU  48   4.749   7.291   1.128
  355    HA   LEU  48           HA       LEU  48   4.034   7.971  -1.504
  356   1HB   LEU  48           HB2      LEU  48   2.279   7.519   0.927
  357   2HB   LEU  48           HB1      LEU  48   1.670   7.599  -0.726
  358    HG   LEU  48           HG       LEU  48   3.657   5.598   0.378
  359   1HD1  LEU  48          HD12      LEU  48   0.894   5.596   0.428
  360   2HD1  LEU  48          HD11      LEU  48   1.255   4.680  -1.034
  361   3HD1  LEU  48          HD13      LEU  48   1.913   4.160   0.518
  362   1HD2  LEU  48          HD21      LEU  48   2.825   6.320  -2.421
  363   2HD2  LEU  48          HD23      LEU  48   4.430   5.933  -1.806
  364   3HD2  LEU  48          HD22      LEU  48   3.246   4.650  -2.041
  365    HA   PRO  49           HA       PRO  49   2.993  12.209  -1.530
  366   1HB   PRO  49           HB2      PRO  49   0.419  11.904  -2.781
  367   2HB   PRO  49           HB1      PRO  49   1.948  12.366  -3.541
  368   1HG   PRO  49           HG2      PRO  49   0.552   9.867  -3.810
  369   2HG   PRO  49           HG1      PRO  49   2.102  10.322  -4.530
  370   1HD   PRO  49           HD2      PRO  49   1.627   8.486  -2.346
  371   2HD   PRO  49           HD1      PRO  49   3.174   8.907  -3.103
  372    H    ASP  50           HN       ASP  50   1.706  13.714  -0.341
  373    HA   ASP  50           HA       ASP  50   0.493  12.841   2.015
  374   1HB   ASP  50           HB2      ASP  50   0.755  15.353   0.553
  375   2HB   ASP  50           HB1      ASP  50  -0.710  15.256   1.519
  376    H    ASN  51           HN       ASN  51  -1.139  14.083  -0.864
  377    HA   ASN  51           HA       ASN  51  -3.742  13.354   0.035
  378   1HB   ASN  51           HB2      ASN  51  -4.477  14.177  -2.061
  379   2HB   ASN  51           HB1      ASN  51  -3.112  15.182  -1.615
  380   1HD2  ASN  51          HD22      ASN  51  -2.511  14.220  -5.132
  381   2HD2  ASN  51          HD21      ASN  51  -3.610  15.196  -4.281
  382    H    SER  52           HN       SER  52  -1.274  11.394  -0.973
  383    HA   SER  52           HA       SER  52  -2.435   9.617  -2.839
  384   1HB   SER  52           HB2      SER  52  -0.036   9.678  -1.804
  385   2HB   SER  52           HB1      SER  52  -0.718   8.607  -0.585
  386    HG   SER  52           HG       SER  52  -1.476   7.334  -2.444
  387    HA   PRO  53           HA       PRO  53  -5.798   8.126  -0.280
  388   1HB   PRO  53           HB2      PRO  53  -6.434   6.167  -2.268
  389   2HB   PRO  53           HB1      PRO  53  -7.253   7.706  -1.970
  390   1HG   PRO  53           HG2      PRO  53  -5.556   7.013  -4.198
  391   2HG   PRO  53           HG1      PRO  53  -6.388   8.545  -3.904
  392   1HD   PRO  53           HD2      PRO  53  -3.563   7.983  -3.660
  393   2HD   PRO  53           HD1      PRO  53  -4.395   9.529  -3.403
  394    H    THR  54           HN       THR  54  -5.478   6.662   1.344
  395    HA   THR  54           HA       THR  54  -4.122   4.086   0.672
  396    HB   THR  54           HB       THR  54  -2.840   4.202   2.713
  397    HG1  THR  54           HG1      THR  54  -4.423   6.501   3.171
  398   1HG2  THR  54          HG21      THR  54  -2.793   6.870   1.278
  399   2HG2  THR  54          HG23      THR  54  -1.499   6.235   2.293
  400   3HG2  THR  54          HG22      THR  54  -1.918   5.419   0.787
  401    H    LYS  55           HN       LYS  55  -4.523   2.437   2.494
  402    HA   LYS  55           HA       LYS  55  -7.167   1.763   2.770
  403   1HB   LYS  55           HB2      LYS  55  -4.717   1.119   4.230
  404   2HB   LYS  55           HB1      LYS  55  -6.154   1.006   5.246
  405   1HG   LYS  55           HG2      LYS  55  -5.682  -0.394   2.600
  406   2HG   LYS  55           HG1      LYS  55  -5.821  -1.147   4.190
  407   1HD   LYS  55           HD2      LYS  55  -8.158   0.128   4.200
  408   2HD   LYS  55           HD1      LYS  55  -7.954   0.020   2.451
  409   1HE   LYS  55           HE2      LYS  55  -7.257  -2.504   3.624
  410   2HE   LYS  55           HE1      LYS  55  -8.843  -2.012   4.218
  411   1HZ   LYS  55           HZ1      LYS  55  -8.476  -1.523   1.409
  412   2HZ   LYS  55           HZ3      LYS  55  -8.356  -3.166   1.817
  413   3HZ   LYS  55           HZ2      LYS  55  -9.756  -2.293   2.221
  414    H    THR  56           HN       THR  56  -8.902   2.747   3.659
  415    HA   THR  56           HA       THR  56  -8.510   4.990   5.524
  416    HB   THR  56           HB       THR  56 -10.926   3.835   4.130
  417    HG1  THR  56           HG1      THR  56 -10.156   6.501   4.026
  418   1HG2  THR  56          HG22      THR  56 -10.821   6.097   6.147
  419   2HG2  THR  56          HG21      THR  56 -12.224   5.671   5.169
  420   3HG2  THR  56          HG23      THR  56 -11.617   4.541   6.377
  421    H    SER  57           HN       SER  57 -10.796   2.320   5.539
  422    HA   SER  57           HA       SER  57  -9.973   1.127   7.962
  423   1HB   SER  57           HB2      SER  57 -11.824   1.987   9.451
  424   2HB   SER  57           HB1      SER  57 -10.583   3.181   9.078
  425    HG   SER  57           HG       SER  57 -13.221   3.214   8.521
  426    H    GLY  58           HN       GLY  58 -10.703  -0.094   5.742
  427   1HA   GLY  58           HA2      GLY  58 -12.929  -1.746   6.495
  428   2HA   GLY  58           HA1      GLY  58 -13.415  -0.636   5.212
  429    H    LYS  59           HN       LYS  59 -13.194  -3.531   4.965
  430    HA   LYS  59           HA       LYS  59 -10.729  -4.107   3.513
  431   1HB   LYS  59           HB2      LYS  59 -11.722  -6.282   3.082
  432   2HB   LYS  59           HB1      LYS  59 -12.036  -5.848   4.763
  433   1HG   LYS  59           HG2      LYS  59 -14.261  -4.866   3.898
  434   2HG   LYS  59           HG1      LYS  59 -13.942  -5.783   2.425
  435   1HD   LYS  59           HD2      LYS  59 -13.567  -7.795   4.042
  436   2HD   LYS  59           HD1      LYS  59 -14.446  -6.808   5.210
  437   1HE   LYS  59           HE2      LYS  59 -16.346  -6.630   3.686
  438   2HE   LYS  59           HE1      LYS  59 -15.465  -7.522   2.446
  439   1HZ   LYS  59           HZ2      LYS  59 -15.327  -9.397   4.029
  440   2HZ   LYS  59           HZ1      LYS  59 -16.332  -8.538   5.097
  441   3HZ   LYS  59           HZ3      LYS  59 -16.920  -9.017   3.580
  442    H    CYS  60           HN       CYS  60 -10.404  -3.985   1.319
  443    HA   CYS  60           HA       CYS  60 -11.812  -2.309  -0.368
  444   1HB   CYS  60           HB2      CYS  60  -9.627  -3.721  -0.772
  445   2HB   CYS  60           HB1      CYS  60 -10.740  -4.872  -1.511
  446    H    ASN  61           HN       ASN  61 -13.537  -2.539  -1.844
  447    HA   ASN  61           HA       ASN  61 -15.613  -4.401  -1.075
  448   1HB   ASN  61           HB2      ASN  61 -15.344  -2.070  -2.764
  449   2HB   ASN  61           HB1      ASN  61 -16.229  -3.336  -3.613
  450   1HD2  ASN  61          HD22      ASN  61 -18.223  -1.228  -0.936
  451   2HD2  ASN  61          HD21      ASN  61 -16.832  -0.711  -1.760
  452    HA   PRO  62           HA       PRO  62 -13.928  -7.752  -3.519
  453   1HB   PRO  62           HB2      PRO  62 -16.461  -9.117  -3.195
  454   2HB   PRO  62           HB1      PRO  62 -14.907  -9.493  -2.438
  455   1HG   PRO  62           HG2      PRO  62 -17.208  -8.341  -1.178
  456   2HG   PRO  62           HG1      PRO  62 -15.617  -8.619  -0.456
  457   1HD   PRO  62           HD2      PRO  62 -16.811  -6.094  -1.217
  458   2HD   PRO  62           HD1      PRO  62 -15.238  -6.373  -0.441
  459    H    ALA  63           HN       ALA  63 -14.018  -7.909  -5.734
  460    HA   ALA  63           HA       ALA  63 -16.204  -6.576  -7.164
  461   1HB   ALA  63           HB1      ALA  63 -13.607  -7.870  -7.969
  462   2HB   ALA  63           HB3      ALA  63 -14.821  -7.487  -9.188
  463   3HB   ALA  63           HB2      ALA  63 -14.130  -6.201  -8.197
   
  Start of MODEL          12
 Raw file had  463 H/Q atoms
  Start of MODEL   12
    1   1H    LYS   1           HT3      LYS   1   2.618  14.267   2.779
    2   2H    LYS   1           HT2      LYS   1   4.255  14.523   2.406
    3   3H    LYS   1           HT1      LYS   1   3.081  14.581   1.179
    4    HA   LYS   1           HA       LYS   1   2.700  12.279   1.262
    5   1HB   LYS   1           HB2      LYS   1   5.675  12.637   1.700
    6   2HB   LYS   1           HB1      LYS   1   4.878  11.395   0.734
    7   1HG   LYS   1           HG2      LYS   1   5.116  12.767  -1.041
    8   2HG   LYS   1           HG1      LYS   1   3.900  13.803  -0.294
    9   1HD   LYS   1           HD2      LYS   1   5.685  15.289  -0.560
   10   2HD   LYS   1           HD1      LYS   1   5.929  14.723   1.093
   11   1HE   LYS   1           HE2      LYS   1   7.673  13.263   0.463
   12   2HE   LYS   1           HE1      LYS   1   7.217  13.316  -1.241
   13   1HZ   LYS   1           HZ1      LYS   1   7.689  15.871  -0.844
   14   2HZ   LYS   1           HZ3      LYS   1   8.729  15.246   0.342
   15   3HZ   LYS   1           HZ2      LYS   1   8.920  14.784  -1.282
   16    H    LYS   2           HN       LYS   2   3.362  10.154   2.326
   17    HA   LYS   2           HA       LYS   2   4.407  10.207   5.020
   18   1HB   LYS   2           HB2      LYS   2   2.007   9.289   5.842
   19   2HB   LYS   2           HB1      LYS   2   2.464  10.989   5.955
   20   1HG   LYS   2           HG2      LYS   2   0.242  10.775   4.925
   21   2HG   LYS   2           HG1      LYS   2   1.398  11.410   3.755
   22   1HD   LYS   2           HD2      LYS   2   1.714   9.112   2.857
   23   2HD   LYS   2           HD1      LYS   2   0.489   8.525   3.982
   24   1HE   LYS   2           HE2      LYS   2  -0.396  10.849   2.426
   25   2HE   LYS   2           HE1      LYS   2  -0.006   9.451   1.423
   26   1HZ   LYS   2           HZ2      LYS   2  -1.716   9.266   3.836
   27   2HZ   LYS   2           HZ1      LYS   2  -2.347   9.568   2.287
   28   3HZ   LYS   2           HZ3      LYS   2  -1.526   8.117   2.599
   29    H    ASP   3           HN       ASP   3   3.826   7.968   6.111
   30    HA   ASP   3           HA       ASP   3   4.274   5.898   4.027
   31   1HB   ASP   3           HB2      ASP   3   4.339   5.286   6.936
   32   2HB   ASP   3           HB1      ASP   3   5.419   4.735   5.655
   33    H    GLY   4           HN       GLY   4   3.021   3.839   4.229
   34   1HA   GLY   4           HA2      GLY   4   1.042   3.075   5.902
   35   2HA   GLY   4           HA1      GLY   4   0.235   4.398   5.065
   36    OH   TYR   5           OH       TYR   5   0.361  -2.336   8.238
   37    H    TYR   5           HN       TYR   5  -0.914   1.978   4.807
   38    HA   TYR   5           HA       TYR   5   0.079   0.495   2.507
   39   1HB   TYR   5           HB2      TYR   5  -2.704   0.410   3.688
   40   2HB   TYR   5           HB1      TYR   5  -1.904  -0.841   2.740
   41    HD1  TYR   5           HD1      TYR   5  -1.970   0.892   6.015
   42    HD2  TYR   5           HD2      TYR   5  -0.279  -2.322   3.729
   43    HE1  TYR   5           HE1      TYR   5  -1.053  -0.109   8.092
   44    HE2  TYR   5           HE2      TYR   5   0.638  -3.324   5.800
   45    HH   TYR   5           HH       TYR   5   0.026  -3.232   8.310
   46    HA   PRO   6           HA       PRO   6  -1.750   3.520  -0.280
   47   1HB   PRO   6           HB2      PRO   6  -0.724   2.114  -2.519
   48   2HB   PRO   6           HB1      PRO   6  -0.004   3.527  -1.735
   49   1HG   PRO   6           HG2      PRO   6   0.939   0.785  -1.688
   50   2HG   PRO   6           HG1      PRO   6   1.696   2.221  -0.992
   51   1HD   PRO   6           HD2      PRO   6   0.312   0.096   0.395
   52   2HD   PRO   6           HD1      PRO   6   1.124   1.511   1.093
   53    H    VAL   7           HN       VAL   7  -3.888   3.314  -0.838
   54    HA   VAL   7           HA       VAL   7  -4.784   0.674  -1.943
   55    HB   VAL   7           HB       VAL   7  -6.985   1.130  -1.061
   56   1HG1  VAL   7          HG13      VAL   7  -4.775   1.686   0.936
   57   2HG1  VAL   7          HG12      VAL   7  -6.435   1.305   1.391
   58   3HG1  VAL   7          HG11      VAL   7  -5.463   0.117   0.524
   59   1HG2  VAL   7          HG21      VAL   7  -5.834   3.853  -0.747
   60   2HG2  VAL   7          HG23      VAL   7  -7.483   3.370  -1.143
   61   3HG2  VAL   7          HG22      VAL   7  -6.927   3.323   0.531
   62    H    ASP   8           HN       ASP   8  -5.551   0.721  -4.024
   63    HA   ASP   8           HA       ASP   8  -5.214   2.982  -5.666
   64   1HB   ASP   8           HB2      ASP   8  -6.619   1.838  -7.325
   65   2HB   ASP   8           HB1      ASP   8  -5.521   0.690  -6.559
   66    H    SER   9           HN       SER   9  -7.462   3.721  -6.975
   67    HA   SER   9           HA       SER   9  -8.704   5.529  -5.140
   68   1HB   SER   9           HB2      SER   9  -9.738   6.408  -6.988
   69   2HB   SER   9           HB1      SER   9  -8.522   5.447  -7.825
   70    HG   SER   9           HG       SER   9 -10.197   4.519  -8.695
   71    H    GLY  10           HN       GLY  10  -9.241   2.222  -5.484
   72   1HA   GLY  10           HA2      GLY  10 -12.104   2.451  -4.707
   73   2HA   GLY  10           HA1      GLY  10 -11.327   0.979  -5.286
   74    H    ASN  11           HN       ASN  11  -9.365   2.625  -3.038
   75    HA   ASN  11           HA       ASN  11  -8.840   2.177  -0.801
   76   1HB   ASN  11           HB2      ASN  11 -11.417   2.613  -0.609
   77   2HB   ASN  11           HB1      ASN  11 -11.516   0.861  -0.420
   78   1HD2  ASN  11          HD22      ASN  11 -11.040   2.356   2.982
   79   2HD2  ASN  11          HD21      ASN  11 -12.224   2.496   1.774
   80    H    CYS  12           HN       CYS  12  -8.193   0.381  -2.848
   81    HA   CYS  12           HA       CYS  12  -8.425  -2.272  -1.531
   82   1HB   CYS  12           HB2      CYS  12  -7.716  -1.534  -4.388
   83   2HB   CYS  12           HB1      CYS  12  -7.826  -3.168  -3.754
   84    H    LYS  13           HN       LYS  13  -6.683  -2.194  -0.116
   85    HA   LYS  13           HA       LYS  13  -4.162  -0.972  -0.683
   86   1HB   LYS  13           HB2      LYS  13  -3.367  -2.453   1.230
   87   2HB   LYS  13           HB1      LYS  13  -4.735  -1.402   1.599
   88   1HG   LYS  13           HG2      LYS  13  -5.906  -3.228   2.205
   89   2HG   LYS  13           HG1      LYS  13  -5.846  -3.766   0.526
   90   1HD   LYS  13           HD2      LYS  13  -4.291  -5.345   0.973
   91   2HD   LYS  13           HD1      LYS  13  -3.343  -4.241   1.967
   92   1HE   LYS  13           HE2      LYS  13  -4.165  -6.041   3.378
   93   2HE   LYS  13           HE1      LYS  13  -5.007  -4.552   3.811
   94   1HZ   LYS  13           HZ3      LYS  13  -6.467  -5.703   1.769
   95   2HZ   LYS  13           HZ2      LYS  13  -6.073  -6.979   2.820
   96   3HZ   LYS  13           HZ1      LYS  13  -6.892  -5.612   3.408
   97    OH   TYR  14           OH       TYR  14  -3.219   0.907  -7.027
   98    H    TYR  14           HN       TYR  14  -2.446  -1.702  -1.853
   99    HA   TYR  14           HA       TYR  14  -2.643  -4.126  -3.407
  100   1HB   TYR  14           HB2      TYR  14  -0.222  -2.392  -2.808
  101   2HB   TYR  14           HB1      TYR  14  -0.314  -3.616  -4.073
  102    HD1  TYR  14           HD2      TYR  14  -1.716  -3.284  -6.059
  103    HD2  TYR  14           HD1      TYR  14  -1.428  -0.274  -3.007
  104    HE1  TYR  14           HE2      TYR  14  -2.730  -1.626  -7.597
  105    HE2  TYR  14           HE1      TYR  14  -2.443   1.383  -4.544
  106    HH   TYR  14           HH       TYR  14  -2.962   0.677  -7.923
  107    H    GLU  15           HN       GLU  15  -2.390  -6.145  -2.564
  108    HA   GLU  15           HA       GLU  15  -1.378  -6.676   0.047
  109   1HB   GLU  15           HB2      GLU  15  -1.460  -8.602  -2.290
  110   2HB   GLU  15           HB1      GLU  15  -1.443  -9.020  -0.575
  111   1HG   GLU  15           HG2      GLU  15  -3.608  -7.250  -1.700
  112   2HG   GLU  15           HG1      GLU  15  -3.734  -9.007  -1.810
  113    H    CYS  16           HN       CYS  16   0.509  -8.706  -0.147
  114    HA   CYS  16           HA       CYS  16   2.738  -7.820  -1.816
  115   1HB   CYS  16           HB2      CYS  16   4.142  -6.920  -0.167
  116   2HB   CYS  16           HB1      CYS  16   2.567  -6.249   0.243
  117    H    LEU  17           HN       LEU  17   4.370  -9.378  -1.952
  118    HA   LEU  17           HA       LEU  17   3.953 -11.843  -0.306
  119   1HB   LEU  17           HB2      LEU  17   5.117 -11.888  -3.089
  120   2HB   LEU  17           HB1      LEU  17   4.384 -13.208  -2.180
  121    HG   LEU  17           HG       LEU  17   2.756 -10.790  -2.931
  122   1HD1  LEU  17          HD13      LEU  17   3.848 -11.724  -4.992
  123   2HD1  LEU  17          HD12      LEU  17   3.106 -13.281  -4.624
  124   3HD1  LEU  17          HD11      LEU  17   2.091 -11.887  -4.994
  125   1HD2  LEU  17          HD21      LEU  17   2.346 -13.426  -1.728
  126   2HD2  LEU  17          HD23      LEU  17   1.295 -12.010  -1.703
  127   3HD2  LEU  17          HD22      LEU  17   1.246 -13.121  -3.072
  128    H    LYS  18           HN       LYS  18   6.246  -9.719  -1.954
  129    HA   LYS  18           HA       LYS  18   8.389 -10.821  -0.187
  130   1HB   LYS  18           HB2      LYS  18   8.950  -9.823  -2.977
  131   2HB   LYS  18           HB1      LYS  18   9.940 -10.874  -1.962
  132   1HG   LYS  18           HG2      LYS  18   8.370 -12.700  -2.208
  133   2HG   LYS  18           HG1      LYS  18   7.218 -11.657  -3.043
  134   1HD   LYS  18           HD2      LYS  18   8.212 -12.091  -5.012
  135   2HD   LYS  18           HD1      LYS  18   9.749 -11.496  -4.386
  136   1HE   LYS  18           HE2      LYS  18  10.270 -13.714  -4.912
  137   2HE   LYS  18           HE1      LYS  18   9.870 -13.829  -3.199
  138   1HZ   LYS  18           HZ3      LYS  18   7.527 -14.311  -3.982
  139   2HZ   LYS  18           HZ2      LYS  18   8.193 -14.553  -5.526
  140   3HZ   LYS  18           HZ1      LYS  18   8.675 -15.534  -4.226
  141    H    ASP  19           HN       ASP  19  10.272  -9.179  -0.058
  142    HA   ASP  19           HA       ASP  19   9.161  -6.607   0.702
  143   1HB   ASP  19           HB2      ASP  19  11.283  -7.955   1.595
  144   2HB   ASP  19           HB1      ASP  19  12.109  -6.980   0.378
  145    H    ASP  20           HN       ASP  20  10.802  -7.854  -2.128
  146    HA   ASP  20           HA       ASP  20  11.525  -5.284  -3.233
  147   1HB   ASP  20           HB2      ASP  20  11.034  -7.115  -5.369
  148   2HB   ASP  20           HB1      ASP  20  12.582  -6.586  -4.727
  149    OH   TYR  21           OH       TYR  21   1.198  -5.315  -6.171
  150    H    TYR  21           HN       TYR  21   8.842  -7.523  -4.114
  151    HA   TYR  21           HA       TYR  21   7.466  -5.939  -5.916
  152   1HB   TYR  21           HB2      TYR  21   6.588  -8.112  -5.277
  153   2HB   TYR  21           HB1      TYR  21   6.310  -7.556  -3.626
  154    HD1  TYR  21           HD1      TYR  21   5.346  -6.910  -7.174
  155    HD2  TYR  21           HD2      TYR  21   4.292  -6.480  -3.032
  156    HE1  TYR  21           HE1      TYR  21   3.113  -6.059  -7.832
  157    HE2  TYR  21           HE2      TYR  21   2.056  -5.631  -3.691
  158    HH   TYR  21           HH       TYR  21   1.327  -4.612  -6.813
  159    H    CYS  22           HN       CYS  22   7.589  -5.593  -2.416
  160    HA   CYS  22           HA       CYS  22   5.673  -3.464  -2.225
  161   1HB   CYS  22           HB2      CYS  22   7.309  -4.971  -0.468
  162   2HB   CYS  22           HB1      CYS  22   7.654  -3.268  -0.192
  163    H    ASN  23           HN       ASN  23   9.231  -3.451  -2.444
  164    HA   ASN  23           HA       ASN  23   9.506  -0.602  -2.222
  165   1HB   ASN  23           HB2      ASN  23  11.369  -2.284  -2.022
  166   2HB   ASN  23           HB1      ASN  23  11.269  -2.562  -3.748
  167   1HD2  ASN  23          HD22      ASN  23  13.238   0.232  -4.517
  168   2HD2  ASN  23          HD21      ASN  23  12.565  -1.247  -5.007
  169    H    ASP  24           HN       ASP  24   9.771  -2.649  -5.111
  170    HA   ASP  24           HA       ASP  24   9.787  -0.606  -7.042
  171   1HB   ASP  24           HB2      ASP  24  10.020  -3.152  -7.347
  172   2HB   ASP  24           HB1      ASP  24   8.265  -3.183  -7.419
  173    H    LEU  25           HN       LEU  25   6.874  -2.513  -6.242
  174    HA   LEU  25           HA       LEU  25   4.980  -0.908  -7.486
  175   1HB   LEU  25           HB2      LEU  25   4.277  -2.974  -6.488
  176   2HB   LEU  25           HB1      LEU  25   4.794  -2.450  -4.887
  177    HG   LEU  25           HG       LEU  25   3.017  -0.458  -5.695
  178   1HD1  LEU  25          HD12      LEU  25   2.523  -2.650  -7.344
  179   2HD1  LEU  25          HD11      LEU  25   1.320  -2.799  -6.064
  180   3HD1  LEU  25          HD13      LEU  25   1.410  -1.320  -7.022
  181   1HD2  LEU  25          HD22      LEU  25   3.062  -2.743  -3.801
  182   2HD2  LEU  25          HD21      LEU  25   2.748  -1.034  -3.496
  183   3HD2  LEU  25          HD23      LEU  25   1.470  -2.063  -4.141
  184    H    CYS  26           HN       CYS  26   6.521  -0.413  -4.348
  185    HA   CYS  26           HA       CYS  26   4.927   1.748  -3.472
  186   1HB   CYS  26           HB2      CYS  26   7.583   0.578  -2.828
  187   2HB   CYS  26           HB1      CYS  26   7.282   2.194  -2.240
  188    H    LEU  27           HN       LEU  27   7.891   1.642  -5.398
  189    HA   LEU  27           HA       LEU  27   8.256   4.449  -5.528
  190   1HB   LEU  27           HB2      LEU  27  10.110   3.932  -6.745
  191   2HB   LEU  27           HB1      LEU  27   9.744   2.281  -6.259
  192    HG   LEU  27           HG       LEU  27   8.146   2.508  -8.431
  193   1HD1  LEU  27          HD12      LEU  27  10.096   4.670  -8.569
  194   2HD1  LEU  27          HD11      LEU  27  10.234   3.578  -9.947
  195   3HD1  LEU  27          HD13      LEU  27   8.695   4.367  -9.596
  196   1HD2  LEU  27          HD22      LEU  27  10.366   1.061  -7.673
  197   2HD2  LEU  27          HD21      LEU  27   9.490   0.835  -9.186
  198   3HD2  LEU  27          HD23      LEU  27  10.927   1.856  -9.144
  199    H    GLU  28           HN       GLU  28   6.212   2.226  -7.218
  200    HA   GLU  28           HA       GLU  28   5.572   3.940  -9.424
  201   1HB   GLU  28           HB2      GLU  28   5.220   1.364  -9.151
  202   2HB   GLU  28           HB1      GLU  28   3.711   1.834  -8.369
  203   1HG   GLU  28           HG2      GLU  28   2.874   2.856 -10.320
  204   2HG   GLU  28           HG1      GLU  28   4.473   2.971 -11.054
  205    NH1  ARG  29           NH2      ARG  29  -1.485   4.067  -6.136
  206    NH2  ARG  29           NH1      ARG  29  -1.035   3.724  -8.321
  207    H    ARG  29           HN       ARG  29   4.331   3.454  -6.219
  208    HA   ARG  29           HA       ARG  29   1.986   5.106  -6.597
  209   1HB   ARG  29           HB2      ARG  29   2.978   3.332  -4.589
  210   2HB   ARG  29           HB1      ARG  29   2.639   4.890  -3.836
  211   1HG   ARG  29           HG2      ARG  29   0.523   3.986  -3.729
  212   2HG   ARG  29           HG1      ARG  29   0.435   4.699  -5.338
  213   1HD   ARG  29           HD2      ARG  29   1.630   2.030  -5.339
  214   2HD   ARG  29           HD1      ARG  29  -0.024   2.030  -4.734
  215    HE   ARG  29           HE       ARG  29   0.710   2.230  -7.461
  216   1HH1  ARG  29          HH21      ARG  29  -1.307   3.874  -5.173
  217   2HH1  ARG  29          HH22      ARG  29  -2.228   4.686  -6.391
  218   1HH2  ARG  29          HH11      ARG  29  -0.504   3.271  -9.037
  219   2HH2  ARG  29          HH12      ARG  29  -1.785   4.338  -8.568
  220    H    LYS  30           HN       LYS  30   5.184   5.837  -6.454
  221    HA   LYS  30           HA       LYS  30   6.148   8.011  -6.445
  222   1HB   LYS  30           HB2      LYS  30   3.893   9.064  -6.630
  223   2HB   LYS  30           HB1      LYS  30   3.704   8.906  -4.884
  224   1HG   LYS  30           HG2      LYS  30   6.234  10.160  -5.716
  225   2HG   LYS  30           HG1      LYS  30   4.788  11.093  -6.106
  226   1HD   LYS  30           HD2      LYS  30   4.631   9.951  -3.428
  227   2HD   LYS  30           HD1      LYS  30   6.052  10.981  -3.611
  228   1HE   LYS  30           HE2      LYS  30   3.450  11.973  -4.704
  229   2HE   LYS  30           HE1      LYS  30   3.687  12.014  -2.956
  230   1HZ   LYS  30           HZ1      LYS  30   5.924  12.972  -4.521
  231   2HZ   LYS  30           HZ3      LYS  30   4.523  13.922  -4.636
  232   3HZ   LYS  30           HZ2      LYS  30   5.221  13.619  -3.116
  233    H    ALA  31           HN       ALA  31   5.596   5.843  -4.113
  234    HA   ALA  31           HA       ALA  31   6.583   7.403  -1.832
  235   1HB   ALA  31           HB2      ALA  31   5.946   4.482  -2.245
  236   2HB   ALA  31           HB1      ALA  31   6.702   5.077  -0.766
  237   3HB   ALA  31           HB3      ALA  31   5.099   5.648  -1.228
  238    H    ASP  32           HN       ASP  32   8.650   7.158  -0.920
  239    HA   ASP  32           HA       ASP  32  10.809   6.789  -2.722
  240   1HB   ASP  32           HB2      ASP  32  10.572   8.032  -0.387
  241   2HB   ASP  32           HB1      ASP  32  11.172   6.501   0.224
  242    H    LYS  33           HN       LYS  33   9.619   4.798  -0.014
  243    HA   LYS  33           HA       LYS  33  10.458   2.357  -1.443
  244   1HB   LYS  33           HB2      LYS  33  11.804   1.578   0.557
  245   2HB   LYS  33           HB1      LYS  33  12.543   2.892  -0.361
  246   1HG   LYS  33           HG2      LYS  33  12.742   3.804   1.739
  247   2HG   LYS  33           HG1      LYS  33  11.109   4.360   1.372
  248   1HD   LYS  33           HD2      LYS  33  10.204   2.309   2.469
  249   2HD   LYS  33           HD1      LYS  33  11.850   1.864   2.925
  250   1HE   LYS  33           HE2      LYS  33  10.783   4.581   3.645
  251   2HE   LYS  33           HE1      LYS  33  10.371   3.182   4.637
  252   1HZ   LYS  33           HZ2      LYS  33  13.136   3.193   4.012
  253   2HZ   LYS  33           HZ1      LYS  33  12.692   4.664   4.738
  254   3HZ   LYS  33           HZ3      LYS  33  12.380   3.199   5.533
  255    H    GLY  34           HN       GLY  34  10.016   0.393   0.199
  256   1HA   GLY  34           HA2      GLY  34   8.096   0.739   2.290
  257   2HA   GLY  34           HA1      GLY  34   7.248   0.378   0.794
  258    OH   TYR  35           OH       TYR  35   6.895  -0.331   8.244
  259    H    TYR  35           HN       TYR  35   7.458  -1.341   3.194
  260    HA   TYR  35           HA       TYR  35   8.914  -3.625   1.920
  261   1HB   TYR  35           HB2      TYR  35   8.956  -4.555   4.323
  262   2HB   TYR  35           HB1      TYR  35  10.088  -3.284   3.905
  263    HD1  TYR  35           HD1      TYR  35   6.497  -3.502   5.009
  264    HD2  TYR  35           HD2      TYR  35  10.323  -1.620   5.534
  265    HE1  TYR  35           HE1      TYR  35   5.566  -2.123   6.837
  266    HE2  TYR  35           HE2      TYR  35   9.387  -0.239   7.367
  267    HH   TYR  35           HH       TYR  35   6.164   0.180   7.891
  268    H    CYS  36           HN       CYS  36   8.034  -5.723   2.363
  269    HA   CYS  36           HA       CYS  36   5.090  -5.707   2.239
  270   1HB   CYS  36           HB2      CYS  36   6.152  -7.024   0.581
  271   2HB   CYS  36           HB1      CYS  36   7.250  -7.744   1.740
  272    OH   TYR  37           OH       TYR  37   3.008  -7.591  12.162
  273    H    TYR  37           HN       TYR  37   4.140  -5.679   4.242
  274    HA   TYR  37           HA       TYR  37   5.397  -7.217   6.441
  275   1HB   TYR  37           HB2      TYR  37   4.646  -4.909   6.900
  276   2HB   TYR  37           HB1      TYR  37   3.001  -5.351   6.446
  277    HD1  TYR  37           HD1      TYR  37   5.759  -6.593   8.670
  278    HD2  TYR  37           HD2      TYR  37   1.544  -5.937   8.174
  279    HE1  TYR  37           HE1      TYR  37   5.362  -7.411  10.976
  280    HE2  TYR  37           HE2      TYR  37   1.147  -6.755  10.481
  281    HH   TYR  37           HH       TYR  37   3.648  -7.171  12.741
  282    CH2  TRP  38           CH2      TRP  38   3.129 -15.364   2.039
  283    H    TRP  38           HN       TRP  38   4.877  -9.348   6.331
  284    HA   TRP  38           HA       TRP  38   2.413 -10.322   5.172
  285   1HB   TRP  38           HB2      TRP  38   4.804 -11.526   6.475
  286   2HB   TRP  38           HB1      TRP  38   3.326 -12.488   6.491
  287    HD1  TRP  38           HD1      TRP  38   5.164 -10.341   3.828
  288    HE1  TRP  38           HE1      TRP  38   5.134 -11.653   1.609
  289    HE3  TRP  38           HE3      TRP  38   2.618 -14.519   5.303
  290    HZ2  TRP  38           HZ2      TRP  38   4.162 -14.146   0.594
  291    HZ3  TRP  38           HZ3      TRP  38   2.158 -16.344   3.692
  292    HH2  TRP  38           HH2      TRP  38   2.926 -16.164   1.342
  293    H    GLY  39           HN       GLY  39   3.076 -11.951   8.147
  294   1HA   GLY  39           HA2      GLY  39   1.562 -12.358   9.911
  295   2HA   GLY  39           HA1      GLY  39   1.669 -10.604  10.101
  296    H    LYS  40           HN       LYS  40   0.400 -12.093   7.196
  297    HA   LYS  40           HA       LYS  40  -1.743 -12.005   6.242
  298   1HB   LYS  40           HB2      LYS  40  -2.133 -12.652   9.017
  299   2HB   LYS  40           HB1      LYS  40  -3.408 -11.543   8.509
  300   1HG   LYS  40           HG2      LYS  40  -2.827 -13.619   6.517
  301   2HG   LYS  40           HG1      LYS  40  -3.395 -14.273   8.054
  302   1HD   LYS  40           HD2      LYS  40  -5.474 -13.333   7.842
  303   2HD   LYS  40           HD1      LYS  40  -4.856 -11.903   7.016
  304   1HE   LYS  40           HE2      LYS  40  -4.419 -13.377   5.003
  305   2HE   LYS  40           HE1      LYS  40  -5.312 -14.652   5.833
  306   1HZ   LYS  40           HZ2      LYS  40  -6.397 -11.943   5.289
  307   2HZ   LYS  40           HZ1      LYS  40  -6.683 -13.297   4.303
  308   3HZ   LYS  40           HZ3      LYS  40  -7.244 -13.281   5.903
  309    H    VAL  41           HN       VAL  41  -0.411  -9.726   6.006
  310    HA   VAL  41           HA       VAL  41  -2.427  -7.637   6.689
  311    HB   VAL  41           HB       VAL  41   0.578  -7.243   6.734
  312   1HG1  VAL  41          HG13      VAL  41  -1.335  -5.374   6.300
  313   2HG1  VAL  41          HG12      VAL  41  -1.328  -5.394   8.063
  314   3HG1  VAL  41          HG11      VAL  41   0.156  -5.036   7.181
  315   1HG2  VAL  41          HG21      VAL  41  -1.207  -8.388   8.687
  316   2HG2  VAL  41          HG23      VAL  41   0.531  -8.113   8.811
  317   3HG2  VAL  41          HG22      VAL  41  -0.598  -6.844   9.284
  318    H    SER  42           HN       SER  42   0.344  -6.391   5.115
  319    HA   SER  42           HA       SER  42  -0.305  -7.102   2.400
  320   1HB   SER  42           HB2      SER  42  -1.032  -4.321   2.486
  321   2HB   SER  42           HB1      SER  42  -1.963  -5.687   1.877
  322    HG   SER  42           HG       SER  42  -1.790  -4.743   4.550
  323    H    CYS  43           HN       CYS  43   0.374  -4.764   1.093
  324    HA   CYS  43           HA       CYS  43   3.256  -4.599   1.658
  325   1HB   CYS  43           HB2      CYS  43   1.554  -4.230  -0.613
  326   2HB   CYS  43           HB1      CYS  43   2.408  -2.713  -0.335
  327    OH   TYR  44           OH       TYR  44   2.408   3.187   7.939
  328    H    TYR  44           HN       TYR  44   4.332  -2.626   2.214
  329    HA   TYR  44           HA       TYR  44   2.588  -0.405   3.189
  330   1HB   TYR  44           HB2      TYR  44   3.672  -2.003   4.959
  331   2HB   TYR  44           HB1      TYR  44   5.161  -1.148   4.570
  332    HD1  TYR  44           HD2      TYR  44   1.720  -0.783   5.836
  333    HD2  TYR  44           HD1      TYR  44   5.510   1.170   5.280
  334    HE1  TYR  44           HE2      TYR  44   0.980   1.059   7.296
  335    HE2  TYR  44           HE1      TYR  44   4.766   3.012   6.749
  336    HH   TYR  44           HH       TYR  44   1.709   2.850   8.505
  337    H    CYS  45           HN       CYS  45   3.201   1.558   2.318
  338    HA   CYS  45           HA       CYS  45   5.870   1.643   1.000
  339   1HB   CYS  45           HB2      CYS  45   3.349   3.216   0.505
  340   2HB   CYS  45           HB1      CYS  45   4.902   3.695  -0.168
  341    OH   TYR  46           OH       TYR  46   7.417   1.900   7.978
  342    H    TYR  46           HN       TYR  46   6.606   4.046   0.812
  343    HA   TYR  46           HA       TYR  46   6.289   5.552   3.335
  344   1HB   TYR  46           HB2      TYR  46   8.782   4.132   2.437
  345   2HB   TYR  46           HB1      TYR  46   8.916   5.627   3.357
  346    HD1  TYR  46           HD2      TYR  46   7.809   5.760   5.617
  347    HD2  TYR  46           HD1      TYR  46   8.240   2.073   3.499
  348    HE1  TYR  46           HE2      TYR  46   7.431   4.524   7.725
  349    HE2  TYR  46           HE1      TYR  46   7.866   0.815   5.606
  350    HH   TYR  46           HH       TYR  46   8.261   1.543   8.265
  351    H    GLY  47           HN       GLY  47   5.481   7.254   1.983
  352   1HA   GLY  47           HA2      GLY  47   6.670   9.394   1.140
  353   2HA   GLY  47           HA1      GLY  47   7.402   8.319  -0.046
  354    H    LEU  48           HN       LEU  48   4.116   7.686   0.884
  355    HA   LEU  48           HA       LEU  48   3.196   8.036  -1.835
  356   1HB   LEU  48           HB2      LEU  48   1.553   7.746   0.698
  357   2HB   LEU  48           HB1      LEU  48   1.010   7.427  -0.949
  358    HG   LEU  48           HG       LEU  48   3.263   5.947   0.451
  359   1HD1  LEU  48          HD13      LEU  48   0.331   5.406   0.092
  360   2HD1  LEU  48          HD12      LEU  48   1.462   4.053   0.112
  361   3HD1  LEU  48          HD11      LEU  48   1.351   5.131   1.504
  362   1HD2  LEU  48          HD23      LEU  48   3.352   6.188  -2.082
  363   2HD2  LEU  48          HD22      LEU  48   3.285   4.528  -1.489
  364   3HD2  LEU  48          HD21      LEU  48   1.833   5.290  -2.140
  365    HA   PRO  49           HA       PRO  49   2.029  12.236  -2.041
  366   1HB   PRO  49           HB2      PRO  49  -0.722  11.658  -2.797
  367   2HB   PRO  49           HB1      PRO  49   0.591  12.292  -3.799
  368   1HG   PRO  49           HG2      PRO  49  -0.506   9.663  -3.896
  369   2HG   PRO  49           HG1      PRO  49   0.928  10.246  -4.754
  370   1HD   PRO  49           HD2      PRO  49   0.812   8.418  -2.508
  371   2HD   PRO  49           HD1      PRO  49   2.239   8.945  -3.422
  372    H    ASP  50           HN       ASP  50   0.811  13.842  -0.882
  373    HA   ASP  50           HA       ASP  50   0.115  13.248   1.757
  374   1HB   ASP  50           HB2      ASP  50   0.006  15.537   0.004
  375   2HB   ASP  50           HB1      ASP  50  -1.394  15.482   1.068
  376    H    ASN  51           HN       ASN  51  -2.186  14.155  -0.765
  377    HA   ASN  51           HA       ASN  51  -4.429  13.198   0.703
  378   1HB   ASN  51           HB2      ASN  51  -5.577  13.535  -1.543
  379   2HB   ASN  51           HB1      ASN  51  -4.803  14.954  -0.856
  380   1HD2  ASN  51          HD22      ASN  51  -3.565  15.023  -4.267
  381   2HD2  ASN  51          HD21      ASN  51  -4.927  15.468  -3.359
  382    H    SER  52           HN       SER  52  -2.028  11.503  -0.843
  383    HA   SER  52           HA       SER  52  -3.238   9.520  -2.382
  384   1HB   SER  52           HB2      SER  52  -0.783   9.706  -1.853
  385   2HB   SER  52           HB1      SER  52  -1.121   8.993  -0.280
  386    HG   SER  52           HG       SER  52  -2.268   7.351  -1.779
  387    HA   PRO  53           HA       PRO  53  -6.181   8.100   0.728
  388   1HB   PRO  53           HB2      PRO  53  -7.180   6.235  -1.218
  389   2HB   PRO  53           HB1      PRO  53  -7.934   7.737  -0.663
  390   1HG   PRO  53           HG2      PRO  53  -6.715   7.231  -3.221
  391   2HG   PRO  53           HG1      PRO  53  -7.438   8.738  -2.648
  392   1HD   PRO  53           HD2      PRO  53  -4.632   8.137  -3.013
  393   2HD   PRO  53           HD1      PRO  53  -5.367   9.666  -2.494
  394    H    THR  54           HN       THR  54  -5.881   6.414   2.150
  395    HA   THR  54           HA       THR  54  -4.438   3.994   1.159
  396    HB   THR  54           HB       THR  54  -3.110   3.954   3.185
  397    HG1  THR  54           HG1      THR  54  -3.432   5.438   4.792
  398   1HG2  THR  54          HG21      THR  54  -2.685   5.641   1.184
  399   2HG2  THR  54          HG23      THR  54  -2.990   6.846   2.434
  400   3HG2  THR  54          HG22      THR  54  -1.676   5.686   2.630
  401    H    LYS  55           HN       LYS  55  -4.694   2.149   2.828
  402    HA   LYS  55           HA       LYS  55  -7.308   1.330   3.079
  403   1HB   LYS  55           HB2      LYS  55  -5.500  -0.190   3.590
  404   2HB   LYS  55           HB1      LYS  55  -5.009   0.788   4.972
  405   1HG   LYS  55           HG2      LYS  55  -6.374  -1.259   5.563
  406   2HG   LYS  55           HG1      LYS  55  -7.033   0.263   6.162
  407   1HD   LYS  55           HD2      LYS  55  -8.829  -1.072   5.173
  408   2HD   LYS  55           HD1      LYS  55  -8.540   0.358   4.179
  409   1HE   LYS  55           HE2      LYS  55  -7.155  -0.971   2.642
  410   2HE   LYS  55           HE1      LYS  55  -7.396  -2.401   3.646
  411   1HZ   LYS  55           HZ2      LYS  55  -9.904  -1.725   3.270
  412   2HZ   LYS  55           HZ1      LYS  55  -9.260  -1.058   1.847
  413   3HZ   LYS  55           HZ3      LYS  55  -9.065  -2.711   2.171
  414    H    THR  56           HN       THR  56  -9.039   2.209   4.109
  415    HA   THR  56           HA       THR  56  -8.527   3.773   6.603
  416    HB   THR  56           HB       THR  56 -10.660   4.151   4.491
  417    HG1  THR  56           HG1      THR  56  -9.016   6.184   5.407
  418   1HG2  THR  56          HG21      THR  56 -10.736   4.713   7.303
  419   2HG2  THR  56          HG23      THR  56 -10.663   6.239   6.423
  420   3HG2  THR  56          HG22      THR  56 -11.950   5.082   6.079
  421    H    SER  57           HN       SER  57 -11.704   2.931   5.492
  422    HA   SER  57           HA       SER  57 -11.871   0.748   7.451
  423   1HB   SER  57           HB2      SER  57 -14.196   1.814   8.059
  424   2HB   SER  57           HB1      SER  57 -12.732   2.413   8.833
  425    HG   SER  57           HG       SER  57 -14.448   3.664   7.151
  426    H    GLY  58           HN       GLY  58 -11.763   0.217   4.801
  427   1HA   GLY  58           HA2      GLY  58 -14.580  -0.548   4.192
  428   2HA   GLY  58           HA1      GLY  58 -13.596   0.206   2.937
  429    H    LYS  59           HN       LYS  59 -14.419  -2.149   2.150
  430    HA   LYS  59           HA       LYS  59 -12.181  -4.046   2.742
  431   1HB   LYS  59           HB2      LYS  59 -13.859  -5.819   1.978
  432   2HB   LYS  59           HB1      LYS  59 -14.196  -5.056   3.532
  433   1HG   LYS  59           HG2      LYS  59 -16.053  -3.979   2.752
  434   2HG   LYS  59           HG1      LYS  59 -15.339  -3.689   1.164
  435   1HD   LYS  59           HD2      LYS  59 -17.162  -5.266   0.896
  436   2HD   LYS  59           HD1      LYS  59 -15.642  -6.130   0.654
  437   1HE   LYS  59           HE2      LYS  59 -17.001  -7.496   2.096
  438   2HE   LYS  59           HE1      LYS  59 -15.740  -6.782   3.102
  439   1HZ   LYS  59           HZ3      LYS  59 -17.597  -4.914   3.297
  440   2HZ   LYS  59           HZ2      LYS  59 -18.603  -6.264   3.061
  441   3HZ   LYS  59           HZ1      LYS  59 -17.509  -6.232   4.361
  442    H    CYS  60           HN       CYS  60 -12.041  -1.987   0.729
  443    HA   CYS  60           HA       CYS  60 -11.462  -1.767  -1.539
  444   1HB   CYS  60           HB2      CYS  60  -9.894  -3.554  -1.125
  445   2HB   CYS  60           HB1      CYS  60 -11.177  -4.763  -1.171
  446    H    ASN  61           HN       ASN  61 -13.655  -1.072  -2.052
  447    HA   ASN  61           HA       ASN  61 -15.006  -2.958  -3.882
  448   1HB   ASN  61           HB2      ASN  61 -15.947  -2.995  -1.384
  449   2HB   ASN  61           HB1      ASN  61 -16.782  -1.543  -1.935
  450   1HD2  ASN  61          HD22      ASN  61 -19.249  -3.484  -3.508
  451   2HD2  ASN  61          HD21      ASN  61 -18.855  -2.104  -2.602
  452    HA   PRO  62           HA       PRO  62 -14.693   1.370  -5.434
  453   1HB   PRO  62           HB2      PRO  62 -14.704   0.215  -8.072
  454   2HB   PRO  62           HB1      PRO  62 -13.362   1.012  -7.240
  455   1HG   PRO  62           HG2      PRO  62 -13.673  -1.803  -7.779
  456   2HG   PRO  62           HG1      PRO  62 -12.336  -1.001  -6.943
  457   1HD   PRO  62           HD2      PRO  62 -14.395  -2.658  -5.792
  458   2HD   PRO  62           HD1      PRO  62 -13.055  -1.846  -4.957
  459    H    ALA  63           HN       ALA  63 -16.385   2.580  -6.436
  460    HA   ALA  63           HA       ALA  63 -19.031   1.640  -6.194
  461   1HB   ALA  63           HB2      ALA  63 -17.835   3.862  -7.859
  462   2HB   ALA  63           HB1      ALA  63 -19.571   3.554  -7.824
  463   3HB   ALA  63           HB3      ALA  63 -18.724   3.995  -6.342
   
  Start of MODEL          13
 Raw file had  463 H/Q atoms
  Start of MODEL   13
    1   1H    LYS   1           HT1      LYS   1   3.944  13.813   2.966
    2   2H    LYS   1           HT3      LYS   1   5.598  13.489   3.160
    3   3H    LYS   1           HT2      LYS   1   5.009  14.023   1.659
    4    HA   LYS   1           HA       LYS   1   3.951  12.011   1.198
    5   1HB   LYS   1           HB2      LYS   1   6.584  11.525   2.612
    6   2HB   LYS   1           HB1      LYS   1   5.757  10.307   1.640
    7   1HG   LYS   1           HG2      LYS   1   7.023  11.197  -0.044
    8   2HG   LYS   1           HG1      LYS   1   5.719  12.384  -0.096
    9   1HD   LYS   1           HD2      LYS   1   7.880  13.535  -0.010
   10   2HD   LYS   1           HD1      LYS   1   6.994  13.815   1.490
   11   1HE   LYS   1           HE2      LYS   1   8.651  11.398   1.575
   12   2HE   LYS   1           HE1      LYS   1   9.589  12.870   1.322
   13   1HZ   LYS   1           HZ1      LYS   1   7.504  13.061   3.321
   14   2HZ   LYS   1           HZ3      LYS   1   8.774  12.009   3.714
   15   3HZ   LYS   1           HZ2      LYS   1   9.103  13.637   3.355
   16    H    LYS   2           HN       LYS   2   4.118   9.523   2.303
   17    HA   LYS   2           HA       LYS   2   3.508   9.458   5.117
   18   1HB   LYS   2           HB2      LYS   2   1.458  10.556   4.531
   19   2HB   LYS   2           HB1      LYS   2   1.196   9.469   3.166
   20   1HG   LYS   2           HG2      LYS   2   1.555   8.012   5.670
   21   2HG   LYS   2           HG1      LYS   2   0.190   9.128   5.743
   22   1HD   LYS   2           HD2      LYS   2   0.633   7.173   3.472
   23   2HD   LYS   2           HD1      LYS   2  -0.397   6.835   4.864
   24   1HE   LYS   2           HE2      LYS   2  -2.081   8.028   3.967
   25   2HE   LYS   2           HE1      LYS   2  -1.034   9.436   3.789
   26   1HZ   LYS   2           HZ2      LYS   2  -0.759   7.205   1.904
   27   2HZ   LYS   2           HZ1      LYS   2  -2.054   8.289   1.709
   28   3HZ   LYS   2           HZ3      LYS   2  -0.457   8.860   1.669
   29    H    ASP   3           HN       ASP   3   3.317   7.327   5.865
   30    HA   ASP   3           HA       ASP   3   3.994   5.223   3.885
   31   1HB   ASP   3           HB2      ASP   3   3.723   4.753   6.835
   32   2HB   ASP   3           HB1      ASP   3   4.863   4.033   5.697
   33    H    GLY   4           HN       GLY   4   2.534   3.462   3.490
   34   1HA   GLY   4           HA2      GLY   4   0.392   2.677   5.129
   35   2HA   GLY   4           HA1      GLY   4  -0.248   3.954   4.103
   36    OH   TYR   5           OH       TYR   5   0.230  -3.411   6.722
   37    H    TYR   5           HN       TYR   5  -1.553   1.795   3.662
   38    HA   TYR   5           HA       TYR   5  -0.253   0.118   1.596
   39   1HB   TYR   5           HB2      TYR   5  -3.031   0.008   2.814
   40   2HB   TYR   5           HB1      TYR   5  -2.385  -1.157   1.662
   41    HD1  TYR   5           HD2      TYR   5   0.105  -2.020   2.387
   42    HD2  TYR   5           HD1      TYR   5  -2.963  -0.624   5.046
   43    HE1  TYR   5           HE2      TYR   5   1.129  -3.310   4.239
   44    HE2  TYR   5           HE1      TYR   5  -1.937  -1.910   6.901
   45    HH   TYR   5           HH       TYR   5   0.578  -2.786   7.362
   46    HA   PRO   6           HA       PRO   6  -1.880   3.158  -1.314
   47   1HB   PRO   6           HB2      PRO   6  -0.954   1.422  -3.432
   48   2HB   PRO   6           HB1      PRO   6  -0.286   2.978  -2.917
   49   1HG   PRO   6           HG2      PRO   6   0.839   0.368  -2.487
   50   2HG   PRO   6           HG1      PRO   6   1.477   1.921  -1.932
   51   1HD   PRO   6           HD2      PRO   6   0.243  -0.150  -0.348
   52   2HD   PRO   6           HD1      PRO   6   0.887   1.410   0.207
   53    H    VAL   7           HN       VAL   7  -4.064   3.077  -1.734
   54    HA   VAL   7           HA       VAL   7  -5.200   0.446  -2.590
   55    HB   VAL   7           HB       VAL   7  -7.350   1.252  -1.708
   56   1HG1  VAL   7          HG11      VAL   7  -4.975   0.680  -0.186
   57   2HG1  VAL   7          HG13      VAL   7  -6.006   1.786   0.723
   58   3HG1  VAL   7          HG12      VAL   7  -6.645   0.239   0.168
   59   1HG2  VAL   7          HG21      VAL   7  -6.767   3.705  -2.098
   60   2HG2  VAL   7          HG23      VAL   7  -7.556   3.346  -0.562
   61   3HG2  VAL   7          HG22      VAL   7  -5.816   3.620  -0.616
   62    H    ASP   8           HN       ASP   8  -6.400   0.377  -4.492
   63    HA   ASP   8           HA       ASP   8  -5.954   2.377  -6.469
   64   1HB   ASP   8           HB2      ASP   8  -7.497   1.141  -7.857
   65   2HB   ASP   8           HB1      ASP   8  -6.577  -0.028  -6.910
   66    H    SER   9           HN       SER   9  -8.515   2.808  -7.620
   67    HA   SER   9           HA       SER   9  -9.392   5.078  -6.018
   68   1HB   SER   9           HB2      SER   9 -11.248   5.006  -7.923
   69   2HB   SER   9           HB1      SER   9  -9.616   5.572  -8.261
   70    HG   SER   9           HG       SER   9 -10.927   3.429  -9.231
   71    H    GLY  10           HN       GLY  10  -9.959   1.932  -5.492
   72   1HA   GLY  10           HA2      GLY  10 -12.805   2.381  -4.702
   73   2HA   GLY  10           HA1      GLY  10 -12.146   0.795  -5.109
   74    H    ASN  11           HN       ASN  11  -9.750   2.371  -3.478
   75    HA   ASN  11           HA       ASN  11  -9.047   2.410  -1.236
   76   1HB   ASN  11           HB2      ASN  11 -11.852   2.550  -1.021
   77   2HB   ASN  11           HB1      ASN  11 -11.365   1.235   0.048
   78   1HD2  ASN  11          HD22      ASN  11 -10.229   3.471   2.497
   79   2HD2  ASN  11          HD21      ASN  11 -10.879   1.951   2.111
   80    H    CYS  12           HN       CYS  12  -8.648   0.239  -2.990
   81    HA   CYS  12           HA       CYS  12  -8.754  -2.083  -1.129
   82   1HB   CYS  12           HB2      CYS  12  -8.687  -1.950  -4.154
   83   2HB   CYS  12           HB1      CYS  12  -8.538  -3.436  -3.230
   84    H    LYS  13           HN       LYS  13  -6.792  -2.188  -0.154
   85    HA   LYS  13           HA       LYS  13  -4.357  -1.109  -1.207
   86   1HB   LYS  13           HB2      LYS  13  -3.288  -2.443   0.626
   87   2HB   LYS  13           HB1      LYS  13  -4.647  -1.467   1.183
   88   1HG   LYS  13           HG2      LYS  13  -5.440  -4.135   0.243
   89   2HG   LYS  13           HG1      LYS  13  -4.356  -4.178   1.633
   90   1HD   LYS  13           HD2      LYS  13  -6.022  -2.217   2.445
   91   2HD   LYS  13           HD1      LYS  13  -7.135  -3.134   1.429
   92   1HE   LYS  13           HE2      LYS  13  -5.715  -5.063   2.908
   93   2HE   LYS  13           HE1      LYS  13  -6.115  -3.789   4.060
   94   1HZ   LYS  13           HZ2      LYS  13  -8.427  -3.922   2.929
   95   2HZ   LYS  13           HZ1      LYS  13  -7.914  -5.469   2.451
   96   3HZ   LYS  13           HZ3      LYS  13  -7.999  -5.078   4.099
   97    OH   TYR  14           OH       TYR  14  -3.907   0.911  -6.976
   98    H    TYR  14           HN       TYR  14  -2.644  -2.103  -2.323
   99    HA   TYR  14           HA       TYR  14  -3.320  -4.552  -3.786
  100   1HB   TYR  14           HB2      TYR  14  -0.623  -3.156  -3.735
  101   2HB   TYR  14           HB1      TYR  14  -1.254  -4.239  -4.975
  102    HD1  TYR  14           HD2      TYR  14  -4.116  -3.182  -4.982
  103    HD2  TYR  14           HD1      TYR  14  -0.314  -1.186  -5.115
  104    HE1  TYR  14           HE2      TYR  14  -5.160  -1.272  -6.170
  105    HE2  TYR  14           HE1      TYR  14  -1.360   0.723  -6.303
  106    HH   TYR  14           HH       TYR  14  -3.937   0.696  -7.911
  107    H    GLU  15           HN       GLU  15  -2.609  -6.597  -3.314
  108    HA   GLU  15           HA       GLU  15  -1.696  -7.232  -0.694
  109   1HB   GLU  15           HB2      GLU  15  -1.097  -9.482  -1.855
  110   2HB   GLU  15           HB1      GLU  15  -2.786  -8.975  -1.807
  111   1HG   GLU  15           HG2      GLU  15  -2.777  -8.302  -4.062
  112   2HG   GLU  15           HG1      GLU  15  -1.016  -8.220  -4.123
  113    H    CYS  16           HN       CYS  16   0.375  -8.841  -0.611
  114    HA   CYS  16           HA       CYS  16   2.645  -7.824  -2.153
  115   1HB   CYS  16           HB2      CYS  16   3.902  -6.944  -0.324
  116   2HB   CYS  16           HB1      CYS  16   2.314  -6.187  -0.229
  117    H    LEU  17           HN       LEU  17   4.704  -9.006  -1.437
  118    HA   LEU  17           HA       LEU  17   4.226 -11.522   0.037
  119   1HB   LEU  17           HB2      LEU  17   5.148 -11.487  -2.857
  120   2HB   LEU  17           HB1      LEU  17   5.091 -12.914  -1.822
  121    HG   LEU  17           HG       LEU  17   2.685 -11.201  -2.498
  122   1HD1  LEU  17          HD12      LEU  17   4.052 -13.021  -4.143
  123   2HD1  LEU  17          HD11      LEU  17   2.670 -13.919  -3.515
  124   3HD1  LEU  17          HD13      LEU  17   2.416 -12.406  -4.384
  125   1HD2  LEU  17          HD23      LEU  17   2.604 -12.447  -0.342
  126   2HD2  LEU  17          HD22      LEU  17   1.426 -13.052  -1.506
  127   3HD2  LEU  17          HD21      LEU  17   2.921 -13.943  -1.219
  128    H    LYS  18           HN       LYS  18   6.596  -9.968  -2.154
  129    HA   LYS  18           HA       LYS  18   8.713 -10.663  -0.169
  130   1HB   LYS  18           HB2      LYS  18   8.581 -10.891  -3.007
  131   2HB   LYS  18           HB1      LYS  18   9.789  -9.662  -2.631
  132   1HG   LYS  18           HG2      LYS  18  11.221 -11.341  -2.182
  133   2HG   LYS  18           HG1      LYS  18  10.243 -11.693  -0.757
  134   1HD   LYS  18           HD2      LYS  18   8.755 -13.094  -2.276
  135   2HD   LYS  18           HD1      LYS  18  10.000 -12.920  -3.514
  136   1HE   LYS  18           HE2      LYS  18  10.619 -14.926  -2.471
  137   2HE   LYS  18           HE1      LYS  18  11.622 -13.741  -1.633
  138   1HZ   LYS  18           HZ3      LYS  18   9.208 -13.785  -0.298
  139   2HZ   LYS  18           HZ2      LYS  18   9.592 -15.415  -0.589
  140   3HZ   LYS  18           HZ1      LYS  18  10.687 -14.417   0.241
  141    H    ASP  19           HN       ASP  19  10.122  -9.023   0.551
  142    HA   ASP  19           HA       ASP  19   9.087  -6.432   0.928
  143   1HB   ASP  19           HB2      ASP  19  10.954  -7.306   2.259
  144   2HB   ASP  19           HB1      ASP  19  11.988  -7.319   0.831
  145    H    ASP  20           HN       ASP  20  11.061  -7.730  -1.703
  146    HA   ASP  20           HA       ASP  20  11.595  -5.193  -2.952
  147   1HB   ASP  20           HB2      ASP  20  12.666  -6.470  -4.564
  148   2HB   ASP  20           HB1      ASP  20  12.698  -7.585  -3.213
  149    OH   TYR  21           OH       TYR  21   1.439  -6.207  -6.149
  150    H    TYR  21           HN       TYR  21   8.996  -7.623  -3.304
  151    HA   TYR  21           HA       TYR  21   7.802  -6.567  -5.652
  152   1HB   TYR  21           HB2      TYR  21   6.926  -8.632  -4.787
  153   2HB   TYR  21           HB1      TYR  21   6.568  -7.899  -3.224
  154    HD1  TYR  21           HD1      TYR  21   5.955  -6.488  -6.630
  155    HD2  TYR  21           HD2      TYR  21   4.205  -8.080  -3.049
  156    HE1  TYR  21           HE1      TYR  21   3.712  -5.827  -7.437
  157    HE2  TYR  21           HE2      TYR  21   1.956  -7.420  -3.857
  158    HH   TYR  21           HH       TYR  21   1.441  -5.254  -6.274
  159    H    CYS  22           HN       CYS  22   7.773  -5.464  -2.326
  160    HA   CYS  22           HA       CYS  22   5.684  -3.473  -2.826
  161   1HB   CYS  22           HB2      CYS  22   7.555  -3.840  -0.472
  162   2HB   CYS  22           HB1      CYS  22   6.188  -2.723  -0.524
  163    H    ASN  23           HN       ASN  23   9.132  -3.154  -1.849
  164    HA   ASN  23           HA       ASN  23   9.521  -0.448  -2.202
  165   1HB   ASN  23           HB2      ASN  23  11.211  -2.353  -1.757
  166   2HB   ASN  23           HB1      ASN  23  11.347  -2.479  -3.485
  167   1HD2  ASN  23          HD22      ASN  23  12.474   1.109  -1.870
  168   2HD2  ASN  23          HD21      ASN  23  11.118   0.287  -1.270
  169    H    ASP  24           HN       ASP  24   9.084  -2.907  -4.612
  170    HA   ASP  24           HA       ASP  24   9.535  -1.220  -6.940
  171   1HB   ASP  24           HB2      ASP  24   9.656  -3.725  -6.976
  172   2HB   ASP  24           HB1      ASP  24   7.915  -3.781  -6.747
  173    H    LEU  25           HN       LEU  25   6.466  -2.839  -6.124
  174    HA   LEU  25           HA       LEU  25   4.700  -1.157  -7.454
  175   1HB   LEU  25           HB2      LEU  25   3.871  -3.140  -6.359
  176   2HB   LEU  25           HB1      LEU  25   4.399  -2.560  -4.782
  177    HG   LEU  25           HG       LEU  25   2.676  -0.566  -5.854
  178   1HD1  LEU  25          HD11      LEU  25   2.009  -3.226  -6.785
  179   2HD1  LEU  25          HD13      LEU  25   0.763  -2.646  -5.679
  180   3HD1  LEU  25          HD12      LEU  25   1.180  -1.703  -7.110
  181   1HD2  LEU  25          HD23      LEU  25   2.639  -2.572  -3.612
  182   2HD2  LEU  25          HD22      LEU  25   2.693  -0.811  -3.527
  183   3HD2  LEU  25          HD21      LEU  25   1.186  -1.629  -3.938
  184    H    CYS  26           HN       CYS  26   5.620  -0.826  -4.056
  185    HA   CYS  26           HA       CYS  26   4.510   1.567  -3.317
  186   1HB   CYS  26           HB2      CYS  26   7.153   0.245  -2.708
  187   2HB   CYS  26           HB1      CYS  26   6.703   1.730  -1.922
  188    H    LEU  27           HN       LEU  27   7.561   1.045  -5.053
  189    HA   LEU  27           HA       LEU  27   8.337   3.770  -5.198
  190   1HB   LEU  27           HB2      LEU  27   9.076   1.275  -6.612
  191   2HB   LEU  27           HB1      LEU  27   9.422   2.778  -7.471
  192    HG   LEU  27           HG       LEU  27  10.184   2.408  -4.575
  193   1HD1  LEU  27          HD12      LEU  27  11.577   1.466  -7.067
  194   2HD1  LEU  27          HD11      LEU  27  12.527   1.998  -5.679
  195   3HD1  LEU  27          HD13      LEU  27  11.403   0.649  -5.514
  196   1HD2  LEU  27          HD21      LEU  27  10.130   4.694  -5.644
  197   2HD2  LEU  27          HD23      LEU  27  11.722   4.219  -5.053
  198   3HD2  LEU  27          HD22      LEU  27  11.361   4.134  -6.777
  199    H    GLU  28           HN       GLU  28   6.294   1.818  -7.337
  200    HA   GLU  28           HA       GLU  28   5.984   3.819  -9.345
  201   1HB   GLU  28           HB2      GLU  28   4.617   1.277  -8.628
  202   2HB   GLU  28           HB1      GLU  28   3.715   2.408  -9.636
  203   1HG   GLU  28           HG2      GLU  28   6.564   1.739 -10.328
  204   2HG   GLU  28           HG1      GLU  28   5.269   0.632 -10.782
  205    NH1  ARG  29           NH2      ARG  29  -1.099   3.484  -7.146
  206    NH2  ARG  29           NH1      ARG  29  -0.273   2.886  -9.160
  207    H    ARG  29           HN       ARG  29   4.542   3.313  -6.259
  208    HA   ARG  29           HA       ARG  29   2.343   5.162  -6.767
  209   1HB   ARG  29           HB2      ARG  29   3.005   3.171  -4.745
  210   2HB   ARG  29           HB1      ARG  29   2.402   4.669  -4.035
  211   1HG   ARG  29           HG2      ARG  29   0.347   3.819  -4.492
  212   2HG   ARG  29           HG1      ARG  29   0.683   4.329  -6.147
  213   1HD   ARG  29           HD2      ARG  29   1.912   1.764  -5.575
  214   2HD   ARG  29           HD1      ARG  29   0.178   1.709  -5.270
  215    HE   ARG  29           HE       ARG  29   1.369   1.645  -7.831
  216   1HH1  ARG  29          HH21      ARG  29  -1.081   3.431  -6.150
  217   2HH1  ARG  29          HH22      ARG  29  -1.812   4.014  -7.603
  218   1HH2  ARG  29          HH11      ARG  29   0.389   2.377  -9.710
  219   2HH2  ARG  29          HH12      ARG  29  -0.997   3.411  -9.607
  220    H    LYS  30           HN       LYS  30   5.510   5.594  -6.292
  221    HA   LYS  30           HA       LYS  30   6.651   7.636  -5.897
  222   1HB   LYS  30           HB2      LYS  30   4.256   8.682  -6.075
  223   2HB   LYS  30           HB1      LYS  30   4.324   8.691  -4.313
  224   1HG   LYS  30           HG2      LYS  30   6.695   9.742  -5.798
  225   2HG   LYS  30           HG1      LYS  30   5.245  10.747  -5.750
  226   1HD   LYS  30           HD2      LYS  30   5.329  10.108  -3.157
  227   2HD   LYS  30           HD1      LYS  30   7.044   9.905  -3.513
  228   1HE   LYS  30           HE2      LYS  30   7.357  12.142  -3.988
  229   2HE   LYS  30           HE1      LYS  30   5.699  12.365  -4.543
  230   1HZ   LYS  30           HZ3      LYS  30   5.696  11.630  -1.824
  231   2HZ   LYS  30           HZ2      LYS  30   6.744  12.950  -2.038
  232   3HZ   LYS  30           HZ1      LYS  30   5.123  13.058  -2.537
  233    H    ALA  31           HN       ALA  31   7.053   5.404  -4.354
  234    HA   ALA  31           HA       ALA  31   7.200   6.549  -1.594
  235   1HB   ALA  31           HB2      ALA  31   5.827   4.370  -2.062
  236   2HB   ALA  31           HB1      ALA  31   7.415   3.606  -2.148
  237   3HB   ALA  31           HB3      ALA  31   6.910   4.427  -0.671
  238    H    ASP  32           HN       ASP  32   9.173   6.423  -0.556
  239    HA   ASP  32           HA       ASP  32  11.502   6.120  -2.252
  240   1HB   ASP  32           HB2      ASP  32  10.909   7.753  -0.186
  241   2HB   ASP  32           HB1      ASP  32  11.764   6.480   0.670
  242    H    LYS  33           HN       LYS  33   9.955   4.538   0.468
  243    HA   LYS  33           HA       LYS  33  11.440   2.055  -0.126
  244   1HB   LYS  33           HB2      LYS  33  11.692   1.986   2.568
  245   2HB   LYS  33           HB1      LYS  33  12.962   2.581   1.505
  246   1HG   LYS  33           HG2      LYS  33  12.823   4.623   2.442
  247   2HG   LYS  33           HG1      LYS  33  11.114   4.729   2.033
  248   1HD   LYS  33           HD2      LYS  33  10.508   4.366   4.162
  249   2HD   LYS  33           HD1      LYS  33  11.497   2.907   4.244
  250   1HE   LYS  33           HE2      LYS  33  13.215   3.985   5.274
  251   2HE   LYS  33           HE1      LYS  33  13.038   5.423   4.269
  252   1HZ   LYS  33           HZ1      LYS  33  10.778   5.391   5.789
  253   2HZ   LYS  33           HZ3      LYS  33  11.978   4.880   6.872
  254   3HZ   LYS  33           HZ2      LYS  33  12.146   6.363   6.060
  255    H    GLY  34           HN       GLY  34  10.209   0.237   0.372
  256   1HA   GLY  34           HA2      GLY  34   7.952   0.418   2.229
  257   2HA   GLY  34           HA1      GLY  34   7.467   0.293   0.539
  258    OH   TYR  35           OH       TYR  35   5.244  -2.978   8.009
  259    H    TYR  35           HN       TYR  35   7.251  -1.678   2.858
  260    HA   TYR  35           HA       TYR  35   8.631  -3.937   1.462
  261   1HB   TYR  35           HB2      TYR  35   8.928  -5.066   3.575
  262   2HB   TYR  35           HB1      TYR  35   9.604  -3.456   3.717
  263    HD1  TYR  35           HD2      TYR  35   7.979  -1.593   4.633
  264    HD2  TYR  35           HD1      TYR  35   7.369  -5.811   5.150
  265    HE1  TYR  35           HE2      TYR  35   6.479  -1.148   6.557
  266    HE2  TYR  35           HE1      TYR  35   5.872  -5.364   7.072
  267    HH   TYR  35           HH       TYR  35   4.338  -3.002   7.693
  268    H    CYS  36           HN       CYS  36   7.516  -6.048   2.599
  269    HA   CYS  36           HA       CYS  36   4.660  -5.823   1.815
  270   1HB   CYS  36           HB2      CYS  36   5.873  -7.471   0.603
  271   2HB   CYS  36           HB1      CYS  36   6.609  -8.113   2.058
  272    OH   TYR  37           OH       TYR  37   2.572  -5.728  11.879
  273    H    TYR  37           HN       TYR  37   3.520  -5.249   3.690
  274    HA   TYR  37           HA       TYR  37   4.185  -6.632   6.208
  275   1HB   TYR  37           HB2      TYR  37   3.366  -4.159   5.986
  276   2HB   TYR  37           HB1      TYR  37   1.762  -4.882   5.844
  277    HD1  TYR  37           HD1      TYR  37   3.105  -7.331   7.649
  278    HD2  TYR  37           HD2      TYR  37   2.308  -3.136   8.136
  279    HE1  TYR  37           HE1      TYR  37   3.020  -7.634  10.106
  280    HE2  TYR  37           HE2      TYR  37   2.224  -3.443  10.596
  281    HH   TYR  37           HH       TYR  37   3.447  -5.547  12.229
  282    CH2  TRP  38           CH2      TRP  38   0.876 -13.588   1.508
  283    H    TRP  38           HN       TRP  38   3.589  -8.737   6.107
  284    HA   TRP  38           HA       TRP  38   1.371  -9.767   4.646
  285   1HB   TRP  38           HB2      TRP  38   3.295 -10.798   6.642
  286   2HB   TRP  38           HB1      TRP  38   1.743 -11.635   6.610
  287    HD1  TRP  38           HD1      TRP  38   4.988 -11.699   4.985
  288    HE1  TRP  38           HE1      TRP  38   4.886 -12.993   2.757
  289    HE3  TRP  38           HE3      TRP  38  -0.071 -11.920   4.327
  290    HZ2  TRP  38           HZ2      TRP  38   2.913 -13.987   0.937
  291    HZ3  TRP  38           HZ3      TRP  38  -1.035 -13.042   2.338
  292    HH2  TRP  38           HH2      TRP  38   0.451 -14.075   0.644
  293    H    GLY  39           HN       GLY  39   1.185 -10.708   7.987
  294   1HA   GLY  39           HA2      GLY  39  -0.767 -10.716   9.327
  295   2HA   GLY  39           HA1      GLY  39  -0.496  -8.975   9.247
  296    H    LYS  40           HN       LYS  40  -1.299 -10.849   6.391
  297    HA   LYS  40           HA       LYS  40  -3.148 -10.730   4.960
  298   1HB   LYS  40           HB2      LYS  40  -4.774 -10.059   7.417
  299   2HB   LYS  40           HB1      LYS  40  -5.294 -10.914   5.965
  300   1HG   LYS  40           HG2      LYS  40  -3.488 -12.659   6.585
  301   2HG   LYS  40           HG1      LYS  40  -3.496 -11.898   8.177
  302   1HD   LYS  40           HD2      LYS  40  -5.249 -13.236   8.669
  303   2HD   LYS  40           HD1      LYS  40  -6.199 -12.219   7.585
  304   1HE   LYS  40           HE2      LYS  40  -6.326 -13.843   6.019
  305   2HE   LYS  40           HE1      LYS  40  -4.600 -14.189   6.135
  306   1HZ   LYS  40           HZ2      LYS  40  -5.025 -15.474   8.134
  307   2HZ   LYS  40           HZ1      LYS  40  -6.688 -15.144   8.019
  308   3HZ   LYS  40           HZ3      LYS  40  -5.927 -16.082   6.829
  309    H    VAL  41           HN       VAL  41  -1.729  -8.422   4.787
  310    HA   VAL  41           HA       VAL  41  -3.903  -6.405   4.664
  311    HB   VAL  41           HB       VAL  41  -1.568  -4.906   5.177
  312   1HG1  VAL  41          HG13      VAL  41  -4.243  -5.015   5.908
  313   2HG1  VAL  41          HG12      VAL  41  -3.390  -5.246   7.434
  314   3HG1  VAL  41          HG11      VAL  41  -3.072  -3.815   6.454
  315   1HG2  VAL  41          HG22      VAL  41  -1.845  -7.338   6.931
  316   2HG2  VAL  41          HG21      VAL  41  -0.380  -6.587   6.299
  317   3HG2  VAL  41          HG23      VAL  41  -1.267  -5.820   7.613
  318    H    SER  42           HN       SER  42  -0.520  -5.572   3.866
  319    HA   SER  42           HA       SER  42  -0.743  -6.344   1.100
  320   1HB   SER  42           HB2      SER  42  -2.017  -3.805   1.898
  321   2HB   SER  42           HB1      SER  42  -0.990  -3.715   0.473
  322    HG   SER  42           HG       SER  42  -3.149  -4.321  -0.030
  323    H    CYS  43           HN       CYS  43   0.554  -4.361  -0.226
  324    HA   CYS  43           HA       CYS  43   3.284  -4.602   0.738
  325   1HB   CYS  43           HB2      CYS  43   1.900  -3.755  -1.698
  326   2HB   CYS  43           HB1      CYS  43   3.258  -2.702  -1.307
  327    OH   TYR  44           OH       TYR  44   2.297   2.624   7.790
  328    H    TYR  44           HN       TYR  44   3.722  -3.354   2.550
  329    HA   TYR  44           HA       TYR  44   2.548  -0.745   2.978
  330   1HB   TYR  44           HB2      TYR  44   3.620  -2.474   4.667
  331   2HB   TYR  44           HB1      TYR  44   5.095  -1.569   4.315
  332    HD1  TYR  44           HD2      TYR  44   1.475  -0.840   4.952
  333    HD2  TYR  44           HD1      TYR  44   5.556   0.221   5.714
  334    HE1  TYR  44           HE2      TYR  44   0.720   0.962   6.454
  335    HE2  TYR  44           HE1      TYR  44   4.819   2.029   7.221
  336    HH   TYR  44           HH       TYR  44   2.088   2.228   8.640
  337    H    CYS  45           HN       CYS  45   3.395   1.278   2.535
  338    HA   CYS  45           HA       CYS  45   6.068   1.358   1.182
  339   1HB   CYS  45           HB2      CYS  45   3.758   3.169   0.464
  340   2HB   CYS  45           HB1      CYS  45   5.270   2.942  -0.410
  341    OH   TYR  46           OH       TYR  46   6.964   0.586   7.612
  342    H    TYR  46           HN       TYR  46   7.006   3.561   1.235
  343    HA   TYR  46           HA       TYR  46   6.109   5.242   3.520
  344   1HB   TYR  46           HB2      TYR  46   8.919   4.200   3.076
  345   2HB   TYR  46           HB1      TYR  46   8.504   5.457   4.231
  346    HD1  TYR  46           HD1      TYR  46   8.132   1.866   3.408
  347    HD2  TYR  46           HD2      TYR  46   7.429   4.921   6.327
  348    HE1  TYR  46           HE1      TYR  46   7.637   0.138   5.096
  349    HE2  TYR  46           HE2      TYR  46   6.918   3.191   8.019
  350    HH   TYR  46           HH       TYR  46   7.781   0.366   8.064
  351    H    GLY  47           HN       GLY  47   5.649   7.089   2.308
  352   1HA   GLY  47           HA2      GLY  47   7.102   9.062   1.441
  353   2HA   GLY  47           HA1      GLY  47   7.662   7.893   0.251
  354    H    LEU  48           HN       LEU  48   4.458   7.209   0.912
  355    HA   LEU  48           HA       LEU  48   3.587   8.050  -1.693
  356   1HB   LEU  48           HB2      LEU  48   1.904   7.272   0.709
  357   2HB   LEU  48           HB1      LEU  48   1.368   7.304  -0.971
  358    HG   LEU  48           HG       LEU  48   3.556   5.540   0.169
  359   1HD1  LEU  48          HD13      LEU  48   0.751   5.233   0.122
  360   2HD1  LEU  48          HD12      LEU  48   1.367   4.205  -1.172
  361   3HD1  LEU  48          HD11      LEU  48   1.950   3.991   0.479
  362   1HD2  LEU  48          HD22      LEU  48   2.490   5.930  -2.640
  363   2HD2  LEU  48          HD21      LEU  48   4.152   6.128  -2.086
  364   3HD2  LEU  48          HD23      LEU  48   3.432   4.519  -2.159
  365    HA   PRO  49           HA       PRO  49   2.412  12.213  -1.172
  366   1HB   PRO  49           HB2      PRO  49  -0.150  11.887  -2.466
  367   2HB   PRO  49           HB1      PRO  49   1.334  12.581  -3.134
  368   1HG   PRO  49           HG2      PRO  49   0.163  10.028  -3.764
  369   2HG   PRO  49           HG1      PRO  49   1.664  10.715  -4.398
  370   1HD   PRO  49           HD2      PRO  49   1.374   8.541  -2.527
  371   2HD   PRO  49           HD1      PRO  49   2.879   9.244  -3.158
  372    H    ASP  50           HN       ASP  50   1.142  13.462   0.257
  373    HA   ASP  50           HA       ASP  50  -0.060  12.219   2.447
  374   1HB   ASP  50           HB2      ASP  50   0.119  14.940   1.357
  375   2HB   ASP  50           HB1      ASP  50  -1.273  14.654   2.393
  376    H    ASN  51           HN       ASN  51  -1.746  13.960  -0.126
  377    HA   ASN  51           HA       ASN  51  -4.312  13.003   0.616
  378   1HB   ASN  51           HB2      ASN  51  -5.087  14.170  -1.286
  379   2HB   ASN  51           HB1      ASN  51  -3.717  15.101  -0.715
  380   1HD2  ASN  51          HD22      ASN  51  -3.245  14.691  -4.368
  381   2HD2  ASN  51          HD21      ASN  51  -4.352  15.481  -3.350
  382    H    SER  52           HN       SER  52  -1.788  11.348  -0.801
  383    HA   SER  52           HA       SER  52  -2.949   9.873  -2.901
  384   1HB   SER  52           HB2      SER  52  -0.543   9.797  -1.676
  385   2HB   SER  52           HB1      SER  52  -1.265   8.342  -0.995
  386    HG   SER  52           HG       SER  52  -0.322   7.760  -2.909
  387    HA   PRO  53           HA       PRO  53  -6.338   8.022  -0.646
  388   1HB   PRO  53           HB2      PRO  53  -6.688   6.241  -2.909
  389   2HB   PRO  53           HB1      PRO  53  -7.726   7.572  -2.379
  390   1HG   PRO  53           HG2      PRO  53  -6.003   7.538  -4.663
  391   2HG   PRO  53           HG1      PRO  53  -6.945   8.905  -4.053
  392   1HD   PRO  53           HD2      PRO  53  -4.079   8.538  -3.950
  393   2HD   PRO  53           HD1      PRO  53  -5.027   9.926  -3.377
  394    H    THR  54           HN       THR  54  -5.076   6.915   0.932
  395    HA   THR  54           HA       THR  54  -4.216   4.162   0.152
  396    HB   THR  54           HB       THR  54  -2.636   4.284   2.050
  397    HG1  THR  54           HG1      THR  54  -3.777   5.748   3.327
  398   1HG2  THR  54          HG21      THR  54  -2.284   5.340  -0.381
  399   2HG2  THR  54          HG23      THR  54  -2.111   6.813   0.572
  400   3HG2  THR  54          HG22      THR  54  -1.044   5.441   0.869
  401    H    LYS  55           HN       LYS  55  -4.461   2.572   1.964
  402    HA   LYS  55           HA       LYS  55  -7.000   2.168   2.875
  403   1HB   LYS  55           HB2      LYS  55  -4.329   1.350   3.801
  404   2HB   LYS  55           HB1      LYS  55  -5.571   1.281   5.051
  405   1HG   LYS  55           HG2      LYS  55  -5.800   0.019   2.304
  406   2HG   LYS  55           HG1      LYS  55  -5.413  -0.851   3.790
  407   1HD   LYS  55           HD2      LYS  55  -7.594  -0.998   4.308
  408   2HD   LYS  55           HD1      LYS  55  -7.750   0.758   4.233
  409   1HE   LYS  55           HE2      LYS  55  -8.671   0.707   2.157
  410   2HE   LYS  55           HE1      LYS  55  -7.559  -0.543   1.599
  411   1HZ   LYS  55           HZ2      LYS  55  -9.595  -1.282   3.559
  412   2HZ   LYS  55           HZ1      LYS  55 -10.093  -1.038   1.953
  413   3HZ   LYS  55           HZ3      LYS  55  -8.913  -2.206   2.309
  414    H    THR  56           HN       THR  56  -8.182   3.931   3.652
  415    HA   THR  56           HA       THR  56  -7.075   5.668   5.738
  416    HB   THR  56           HB       THR  56  -9.821   5.530   4.473
  417    HG1  THR  56           HG1      THR  56  -7.703   6.324   3.422
  418   1HG2  THR  56          HG21      THR  56  -9.125   6.668   6.927
  419   2HG2  THR  56          HG23      THR  56  -9.090   8.018   5.793
  420   3HG2  THR  56          HG22      THR  56 -10.555   7.051   5.967
  421    H    SER  57           HN       SER  57 -10.318   4.379   5.848
  422    HA   SER  57           HA       SER  57  -9.701   2.800   8.235
  423   1HB   SER  57           HB2      SER  57 -11.337   3.910   9.626
  424   2HB   SER  57           HB1      SER  57 -10.254   5.144   8.987
  425    HG   SER  57           HG       SER  57 -12.558   5.600   8.811
  426    H    GLY  58           HN       GLY  58 -10.264   1.251   6.378
  427   1HA   GLY  58           HA2      GLY  58 -12.903   0.210   6.782
  428   2HA   GLY  58           HA1      GLY  58 -12.847   1.076   5.246
  429    H    LYS  59           HN       LYS  59 -13.309  -1.210   4.453
  430    HA   LYS  59           HA       LYS  59 -10.720  -2.658   4.048
  431   1HB   LYS  59           HB2      LYS  59 -12.521  -4.638   3.680
  432   2HB   LYS  59           HB1      LYS  59 -11.790  -4.295   5.247
  433   1HG   LYS  59           HG2      LYS  59 -14.282  -2.827   4.438
  434   2HG   LYS  59           HG1      LYS  59 -14.409  -4.479   5.045
  435   1HD   LYS  59           HD2      LYS  59 -12.665  -3.324   6.844
  436   2HD   LYS  59           HD1      LYS  59 -13.776  -2.000   6.492
  437   1HE   LYS  59           HE2      LYS  59 -14.849  -3.116   8.255
  438   2HE   LYS  59           HE1      LYS  59 -15.639  -3.794   6.832
  439   1HZ   LYS  59           HZ1      LYS  59 -13.477  -5.384   7.144
  440   2HZ   LYS  59           HZ3      LYS  59 -13.915  -5.064   8.751
  441   3HZ   LYS  59           HZ2      LYS  59 -15.046  -5.750   7.685
  442    H    CYS  60           HN       CYS  60 -10.607  -3.816   1.950
  443    HA   CYS  60           HA       CYS  60 -11.356  -2.237  -0.266
  444   1HB   CYS  60           HB2      CYS  60  -9.641  -3.943  -0.497
  445   2HB   CYS  60           HB1      CYS  60 -10.797  -5.217  -0.112
  446    H    ASN  61           HN       ASN  61 -13.474  -1.689  -0.638
  447    HA   ASN  61           HA       ASN  61 -15.493  -3.895  -0.530
  448   1HB   ASN  61           HB2      ASN  61 -15.587  -1.696   0.977
  449   2HB   ASN  61           HB1      ASN  61 -16.315  -1.023  -0.483
  450   1HD2  ASN  61          HD22      ASN  61 -19.202  -2.371   1.306
  451   2HD2  ASN  61          HD21      ASN  61 -18.171  -1.023   1.359
  452    HA   PRO  62           HA       PRO  62 -15.028  -2.812  -4.975
  453   1HB   PRO  62           HB2      PRO  62 -16.047  -5.444  -5.526
  454   2HB   PRO  62           HB1      PRO  62 -14.400  -4.847  -5.769
  455   1HG   PRO  62           HG2      PRO  62 -15.320  -6.694  -3.753
  456   2HG   PRO  62           HG1      PRO  62 -13.676  -6.090  -3.999
  457   1HD   PRO  62           HD2      PRO  62 -15.514  -5.398  -1.886
  458   2HD   PRO  62           HD1      PRO  62 -13.862  -4.797  -2.136
  459    H    ALA  63           HN       ALA  63 -16.841  -3.107  -6.725
  460    HA   ALA  63           HA       ALA  63 -19.357  -2.215  -5.549
  461   1HB   ALA  63           HB3      ALA  63 -18.108  -1.994  -8.063
  462   2HB   ALA  63           HB2      ALA  63 -19.562  -2.951  -8.346
  463   3HB   ALA  63           HB1      ALA  63 -19.687  -1.355  -7.607
   
  Start of MODEL          14
 Raw file had  463 H/Q atoms
  Start of MODEL   14
    1   1H    LYS   1           HT1      LYS   1   4.174  11.224   9.298
    2   2H    LYS   1           HT3      LYS   1   5.420  12.105   8.558
    3   3H    LYS   1           HT2      LYS   1   3.820  12.273   8.011
    4    HA   LYS   1           HA       LYS   1   4.002  10.563   6.641
    5   1HB   LYS   1           HB2      LYS   1   6.265   9.834   6.077
    6   2HB   LYS   1           HB1      LYS   1   6.269  11.570   6.384
    7   1HG   LYS   1           HG2      LYS   1   6.865  10.930   8.821
    8   2HG   LYS   1           HG1      LYS   1   7.282   9.351   8.152
    9   1HD   LYS   1           HD2      LYS   1   8.780  10.511   6.505
   10   2HD   LYS   1           HD1      LYS   1   8.453  12.026   7.346
   11   1HE   LYS   1           HE2      LYS   1   9.325   9.743   9.039
   12   2HE   LYS   1           HE1      LYS   1  10.543  10.443   7.974
   13   1HZ   LYS   1           HZ3      LYS   1   9.870  12.651   8.875
   14   2HZ   LYS   1           HZ2      LYS   1   8.934  11.837  10.036
   15   3HZ   LYS   1           HZ1      LYS   1  10.620  11.629   9.999
   16    H    LYS   2           HN       LYS   2   4.440   8.145   6.452
   17    HA   LYS   2           HA       LYS   2   5.087   6.629   8.810
   18   1HB   LYS   2           HB2      LYS   2   2.759   5.674   9.130
   19   2HB   LYS   2           HB1      LYS   2   2.964   7.336   9.678
   20   1HG   LYS   2           HG2      LYS   2   1.207   7.874   8.369
   21   2HG   LYS   2           HG1      LYS   2   2.258   7.582   6.982
   22   1HD   LYS   2           HD2      LYS   2   1.368   5.495   6.569
   23   2HD   LYS   2           HD1      LYS   2   0.997   5.204   8.269
   24   1HE   LYS   2           HE2      LYS   2  -1.138   5.539   7.375
   25   2HE   LYS   2           HE1      LYS   2  -0.729   7.158   7.941
   26   1HZ   LYS   2           HZ2      LYS   2   0.014   6.381   5.210
   27   2HZ   LYS   2           HZ1      LYS   2  -1.608   6.786   5.531
   28   3HZ   LYS   2           HZ3      LYS   2  -0.375   7.913   5.830
   29    H    ASP   3           HN       ASP   3   5.113   4.371   8.376
   30    HA   ASP   3           HA       ASP   3   5.065   3.695   5.496
   31   1HB   ASP   3           HB2      ASP   3   5.657   1.661   7.580
   32   2HB   ASP   3           HB1      ASP   3   6.507   1.992   6.073
   33    H    GLY   4           HN       GLY   4   3.587   1.976   4.726
   34   1HA   GLY   4           HA2      GLY   4   1.927   0.417   6.405
   35   2HA   GLY   4           HA1      GLY   4   1.061   1.918   6.111
   36    OH   TYR   5           OH       TYR   5   2.172  -5.766   5.268
   37    H    TYR   5           HN       TYR   5  -0.439   0.198   5.131
   38    HA   TYR   5           HA       TYR   5   0.386  -0.532   2.362
   39   1HB   TYR   5           HB2      TYR   5  -1.982  -1.426   4.036
   40   2HB   TYR   5           HB1      TYR   5  -1.661  -1.954   2.388
   41    HD1  TYR   5           HD2      TYR   5  -0.549  -2.158   5.899
   42    HD2  TYR   5           HD1      TYR   5   0.136  -3.492   1.886
   43    HE1  TYR   5           HE2      TYR   5   0.917  -3.971   6.750
   44    HE2  TYR   5           HE1      TYR   5   1.599  -5.308   2.722
   45    HH   TYR   5           HH       TYR   5   3.079  -5.460   5.215
   46    HA   PRO   6           HA       PRO   6  -2.077   3.168   1.430
   47   1HB   PRO   6           HB2      PRO   6  -1.301   2.843  -1.317
   48   2HB   PRO   6           HB1      PRO   6  -0.714   4.047  -0.162
   49   1HG   PRO   6           HG2      PRO   6   0.708   1.762  -1.198
   50   2HG   PRO   6           HG1      PRO   6   1.290   2.971  -0.045
   51   1HD   PRO   6           HD2      PRO   6   0.556   0.230   0.487
   52   2HD   PRO   6           HD1      PRO   6   1.148   1.447   1.636
   53    H    VAL   7           HN       VAL   7  -4.260   2.899   1.095
   54    HA   VAL   7           HA       VAL   7  -5.130   0.578  -0.580
   55    HB   VAL   7           HB       VAL   7  -7.320   0.840   0.524
   56   1HG1  VAL   7          HG12      VAL   7  -4.978   0.796   2.452
   57   2HG1  VAL   7          HG11      VAL   7  -6.597   0.190   2.796
   58   3HG1  VAL   7          HG13      VAL   7  -5.605  -0.594   1.567
   59   1HG2  VAL   7          HG21      VAL   7  -6.123   3.389   1.268
   60   2HG2  VAL   7          HG23      VAL   7  -7.815   2.899   1.310
   61   3HG2  VAL   7          HG22      VAL   7  -6.758   2.538   2.676
   62    H    ASP   8           HN       ASP   8  -6.442   0.875  -2.361
   63    HA   ASP   8           HA       ASP   8  -6.331   3.397  -3.713
   64   1HB   ASP   8           HB2      ASP   8  -7.851   2.344  -5.342
   65   2HB   ASP   8           HB1      ASP   8  -6.572   1.220  -4.881
   66    H    SER   9           HN       SER   9  -8.995   3.702  -4.678
   67    HA   SER   9           HA       SER   9 -10.130   5.220  -2.464
   68   1HB   SER   9           HB2      SER   9 -12.033   4.992  -4.559
   69   2HB   SER   9           HB1      SER   9 -10.996   6.368  -4.193
   70    HG   SER   9           HG       SER   9 -10.738   5.493  -6.338
   71    H    GLY  10           HN       GLY  10 -10.102   2.004  -2.960
   72   1HA   GLY  10           HA2      GLY  10 -12.941   1.569  -2.183
   73   2HA   GLY  10           HA1      GLY  10 -11.855   0.320  -2.794
   74    H    ASN  11           HN       ASN  11  -9.971   2.036  -0.751
   75    HA   ASN  11           HA       ASN  11  -9.364   1.829   1.503
   76   1HB   ASN  11           HB2      ASN  11 -12.167   1.242   1.523
   77   2HB   ASN  11           HB1      ASN  11 -11.347   0.080   2.561
   78   1HD2  ASN  11          HD22      ASN  11 -11.113   2.430   5.144
   79   2HD2  ASN  11          HD21      ASN  11 -11.376   0.823   4.667
   80    H    CYS  12           HN       CYS  12  -8.954  -0.127  -0.703
   81    HA   CYS  12           HA       CYS  12  -8.222  -2.481   0.964
   82   1HB   CYS  12           HB2      CYS  12  -8.593  -2.520  -2.029
   83   2HB   CYS  12           HB1      CYS  12  -8.652  -3.856  -0.892
   84    H    LYS  13           HN       LYS  13  -6.066  -3.072   0.927
   85    HA   LYS  13           HA       LYS  13  -4.077  -1.235   0.040
   86   1HB   LYS  13           HB2      LYS  13  -3.645  -4.188   0.527
   87   2HB   LYS  13           HB1      LYS  13  -2.485  -2.880   0.750
   88   1HG   LYS  13           HG2      LYS  13  -3.150  -2.922   2.922
   89   2HG   LYS  13           HG1      LYS  13  -4.584  -2.072   2.344
   90   1HD   LYS  13           HD2      LYS  13  -5.778  -3.818   3.131
   91   2HD   LYS  13           HD1      LYS  13  -5.130  -4.736   1.772
   92   1HE   LYS  13           HE2      LYS  13  -3.084  -5.164   3.305
   93   2HE   LYS  13           HE1      LYS  13  -4.143  -4.647   4.618
   94   1HZ   LYS  13           HZ2      LYS  13  -4.861  -6.763   2.668
   95   2HZ   LYS  13           HZ1      LYS  13  -4.152  -7.083   4.177
   96   3HZ   LYS  13           HZ3      LYS  13  -5.682  -6.356   4.098
   97    OH   TYR  14           OH       TYR  14  -4.386   3.858  -4.346
   98    H    TYR  14           HN       TYR  14  -2.695  -1.231  -1.790
   99    HA   TYR  14           HA       TYR  14  -3.733  -2.435  -4.219
  100   1HB   TYR  14           HB2      TYR  14  -0.991  -1.217  -3.721
  101   2HB   TYR  14           HB1      TYR  14  -1.701  -1.559  -5.292
  102    HD1  TYR  14           HD2      TYR  14  -4.009  -0.443  -5.807
  103    HD2  TYR  14           HD1      TYR  14  -1.314   0.896  -2.740
  104    HE1  TYR  14           HE2      TYR  14  -5.075   1.796  -5.844
  105    HE2  TYR  14           HE1      TYR  14  -2.379   3.136  -2.785
  106    HH   TYR  14           HH       TYR  14  -4.740   3.998  -5.228
  107    H    GLU  15           HN       GLU  15  -2.978  -4.290  -5.296
  108    HA   GLU  15           HA       GLU  15  -1.331  -6.126  -3.655
  109   1HB   GLU  15           HB2      GLU  15  -3.167  -7.268  -4.487
  110   2HB   GLU  15           HB1      GLU  15  -3.142  -6.403  -6.021
  111   1HG   GLU  15           HG2      GLU  15  -1.075  -7.622  -6.654
  112   2HG   GLU  15           HG1      GLU  15  -1.150  -8.511  -5.132
  113    H    CYS  16           HN       CYS  16   0.357  -7.457  -4.949
  114    HA   CYS  16           HA       CYS  16   1.632  -5.844  -7.087
  115   1HB   CYS  16           HB2      CYS  16   3.269  -5.081  -5.789
  116   2HB   CYS  16           HB1      CYS  16   2.472  -5.804  -4.396
  117    H    LEU  17           HN       LEU  17   3.610  -7.015  -7.941
  118    HA   LEU  17           HA       LEU  17   3.108  -9.948  -8.051
  119   1HB   LEU  17           HB2      LEU  17   4.820  -8.887 -10.165
  120   2HB   LEU  17           HB1      LEU  17   3.373  -9.878 -10.306
  121    HG   LEU  17           HG       LEU  17   2.903  -7.839 -11.423
  122   1HD1  LEU  17          HD11      LEU  17   1.433  -8.617  -9.174
  123   2HD1  LEU  17          HD13      LEU  17   1.517  -6.857  -9.102
  124   3HD1  LEU  17          HD12      LEU  17   0.860  -7.651 -10.532
  125   1HD2  LEU  17          HD21      LEU  17   4.677  -6.708  -9.527
  126   2HD2  LEU  17          HD23      LEU  17   3.993  -5.949 -10.963
  127   3HD2  LEU  17          HD22      LEU  17   3.147  -5.837  -9.420
  128    H    LYS  18           HN       LYS  18   5.545  -7.367  -7.982
  129    HA   LYS  18           HA       LYS  18   7.406  -9.253  -6.615
  130   1HB   LYS  18           HB2      LYS  18   8.221  -7.398  -8.873
  131   2HB   LYS  18           HB1      LYS  18   9.289  -8.472  -7.971
  132   1HG   LYS  18           HG2      LYS  18   6.874  -9.554  -9.415
  133   2HG   LYS  18           HG1      LYS  18   8.396  -9.291 -10.267
  134   1HD   LYS  18           HD2      LYS  18   9.557 -10.715  -8.597
  135   2HD   LYS  18           HD1      LYS  18   8.012 -11.017  -7.802
  136   1HE   LYS  18           HE2      LYS  18   7.633 -12.707  -9.236
  137   2HE   LYS  18           HE1      LYS  18   7.632 -11.549 -10.566
  138   1HZ   LYS  18           HZ3      LYS  18  10.071 -11.745 -10.635
  139   2HZ   LYS  18           HZ2      LYS  18   9.997 -12.950  -9.437
  140   3HZ   LYS  18           HZ1      LYS  18   9.293 -13.217 -10.960
  141    H    ASP  19           HN       ASP  19   9.500  -7.669  -6.038
  142    HA   ASP  19           HA       ASP  19   8.372  -5.719  -4.172
  143   1HB   ASP  19           HB2      ASP  19  10.243  -6.939  -3.360
  144   2HB   ASP  19           HB1      ASP  19  11.182  -6.627  -4.819
  145    H    ASP  20           HN       ASP  20   9.532  -5.591  -7.399
  146    HA   ASP  20           HA       ASP  20  10.454  -2.831  -7.335
  147   1HB   ASP  20           HB2      ASP  20   9.626  -3.402  -9.966
  148   2HB   ASP  20           HB1      ASP  20  11.266  -3.464  -9.338
  149    OH   TYR  21           OH       TYR  21   0.012  -0.934  -8.905
  150    H    TYR  21           HN       TYR  21   7.518  -4.290  -8.830
  151    HA   TYR  21           HA       TYR  21   6.149  -1.956  -9.446
  152   1HB   TYR  21           HB2      TYR  21   5.156  -4.142  -9.903
  153   2HB   TYR  21           HB1      TYR  21   4.987  -4.452  -8.173
  154    HD1  TYR  21           HD2      TYR  21   4.397  -1.297 -10.069
  155    HD2  TYR  21           HD1      TYR  21   2.649  -4.480  -7.783
  156    HE1  TYR  21           HE2      TYR  21   2.234  -0.096 -10.061
  157    HE2  TYR  21           HE1      TYR  21   0.480  -3.278  -7.771
  158    HH   TYR  21           HH       TYR  21   0.201   0.004  -8.829
  159    H    CYS  22           HN       CYS  22   6.135  -3.593  -6.263
  160    HA   CYS  22           HA       CYS  22   4.510  -1.760  -4.884
  161   1HB   CYS  22           HB2      CYS  22   6.878  -3.410  -4.001
  162   2HB   CYS  22           HB1      CYS  22   6.002  -2.384  -2.871
  163    H    ASN  23           HN       ASN  23   8.015  -1.613  -5.465
  164    HA   ASN  23           HA       ASN  23   8.547   0.798  -4.027
  165   1HB   ASN  23           HB2      ASN  23  10.265  -0.724  -5.034
  166   2HB   ASN  23           HB1      ASN  23   9.825  -0.157  -6.622
  167   1HD2  ASN  23          HD22      ASN  23  12.126   2.171  -4.214
  168   2HD2  ASN  23          HD21      ASN  23  11.463   0.710  -3.661
  169    H    ASP  24           HN       ASP  24   7.870   0.319  -7.472
  170    HA   ASP  24           HA       ASP  24   7.775   3.024  -8.279
  171   1HB   ASP  24           HB2      ASP  24   7.643   0.870  -9.696
  172   2HB   ASP  24           HB1      ASP  24   5.916   0.917  -9.375
  173    H    LEU  25           HN       LEU  25   4.801   1.071  -7.895
  174    HA   LEU  25           HA       LEU  25   2.953   3.119  -7.748
  175   1HB   LEU  25           HB2      LEU  25   2.072   0.928  -7.689
  176   2HB   LEU  25           HB1      LEU  25   3.109   0.452  -6.349
  177    HG   LEU  25           HG       LEU  25   1.415   2.677  -5.576
  178   1HD1  LEU  25          HD13      LEU  25   0.004   1.482  -7.390
  179   2HD1  LEU  25          HD12      LEU  25  -0.102   0.153  -6.234
  180   3HD1  LEU  25          HD11      LEU  25  -0.740   1.743  -5.813
  181   1HD2  LEU  25          HD21      LEU  25   2.388   0.100  -4.605
  182   2HD2  LEU  25          HD23      LEU  25   1.957   1.547  -3.691
  183   3HD2  LEU  25          HD22      LEU  25   0.710   0.386  -4.145
  184    H    CYS  26           HN       CYS  26   5.103   1.989  -5.205
  185    HA   CYS  26           HA       CYS  26   4.033   3.435  -3.032
  186   1HB   CYS  26           HB2      CYS  26   6.596   2.087  -3.709
  187   2HB   CYS  26           HB1      CYS  26   6.606   3.165  -2.336
  188    H    LEU  27           HN       LEU  27   6.552   4.285  -5.387
  189    HA   LEU  27           HA       LEU  27   7.360   6.730  -4.241
  190   1HB   LEU  27           HB2      LEU  27   7.351   5.689  -7.075
  191   2HB   LEU  27           HB1      LEU  27   7.929   7.312  -6.702
  192    HG   LEU  27           HG       LEU  27   8.968   4.823  -5.321
  193   1HD1  LEU  27          HD11      LEU  27   9.942   6.294  -7.781
  194   2HD1  LEU  27          HD13      LEU  27  11.001   5.266  -6.815
  195   3HD1  LEU  27          HD12      LEU  27   9.591   4.573  -7.617
  196   1HD2  LEU  27          HD23      LEU  27   9.824   7.727  -5.450
  197   2HD2  LEU  27          HD22      LEU  27   9.386   6.793  -4.020
  198   3HD2  LEU  27          HD21      LEU  27  10.892   6.448  -4.871
  199    H    GLU  28           HN       GLU  28   4.706   5.940  -6.459
  200    HA   GLU  28           HA       GLU  28   3.900   8.628  -6.925
  201   1HB   GLU  28           HB2      GLU  28   2.772   5.953  -7.401
  202   2HB   GLU  28           HB1      GLU  28   1.571   7.227  -7.183
  203   1HG   GLU  28           HG2      GLU  28   1.936   7.555  -9.418
  204   2HG   GLU  28           HG1      GLU  28   3.295   8.508  -8.823
  205    NH1  ARG  29           NH2      ARG  29  -2.438   6.090  -5.206
  206    NH2  ARG  29           NH1      ARG  29  -1.179   7.230  -6.697
  207    H    ARG  29           HN       ARG  29   3.035   6.291  -4.467
  208    HA   ARG  29           HA       ARG  29   0.978   7.882  -3.274
  209   1HB   ARG  29           HB2      ARG  29   2.664   5.787  -1.890
  210   2HB   ARG  29           HB1      ARG  29   1.049   6.324  -1.431
  211   1HG   ARG  29           HG2      ARG  29   1.724   4.946  -4.043
  212   2HG   ARG  29           HG1      ARG  29   1.035   4.140  -2.641
  213   1HD   ARG  29           HD2      ARG  29  -0.897   4.614  -3.818
  214   2HD   ARG  29           HD1      ARG  29  -0.772   6.080  -2.852
  215    HE   ARG  29           HE       ARG  29   0.666   6.640  -5.171
  216   1HH1  ARG  29          HH21      ARG  29  -2.516   5.564  -4.359
  217   2HH1  ARG  29          HH22      ARG  29  -3.253   6.271  -5.758
  218   1HH2  ARG  29          HH11      ARG  29  -0.290   7.576  -6.997
  219   2HH2  ARG  29          HH12      ARG  29  -1.997   7.416  -7.242
  220    H    LYS  30           HN       LYS  30   4.254   8.409  -3.476
  221    HA   LYS  30           HA       LYS  30   5.456  10.246  -2.573
  222   1HB   LYS  30           HB2      LYS  30   3.250  11.212  -1.785
  223   2HB   LYS  30           HB1      LYS  30   3.464  10.292  -0.299
  224   1HG   LYS  30           HG2      LYS  30   5.863  11.795  -1.034
  225   2HG   LYS  30           HG1      LYS  30   4.465  12.835  -0.766
  226   1HD   LYS  30           HD2      LYS  30   4.645  10.745   1.264
  227   2HD   LYS  30           HD1      LYS  30   6.106  11.731   1.218
  228   1HE   LYS  30           HE2      LYS  30   4.207  13.667   1.010
  229   2HE   LYS  30           HE1      LYS  30   3.345  12.480   1.989
  230   1HZ   LYS  30           HZ3      LYS  30   5.620  12.435   3.260
  231   2HZ   LYS  30           HZ2      LYS  30   5.771  13.998   2.609
  232   3HZ   LYS  30           HZ1      LYS  30   4.449  13.613   3.605
  233    H    ALA  31           HN       ALA  31   5.965   7.444  -2.108
  234    HA   ALA  31           HA       ALA  31   6.982   7.574   0.701
  235   1HB   ALA  31           HB1      ALA  31   5.420   5.623  -0.373
  236   2HB   ALA  31           HB3      ALA  31   7.028   4.968  -0.678
  237   3HB   ALA  31           HB2      ALA  31   6.538   5.368   0.969
  238    H    ASP  32           HN       ASP  32   9.122   7.139   1.086
  239    HA   ASP  32           HA       ASP  32  11.014   7.696  -0.978
  240   1HB   ASP  32           HB2      ASP  32  11.123   7.934   1.644
  241   2HB   ASP  32           HB1      ASP  32  11.745   6.295   1.563
  242    H    LYS  33           HN       LYS  33  10.067   4.769   0.772
  243    HA   LYS  33           HA       LYS  33  10.933   3.132  -1.548
  244   1HB   LYS  33           HB2      LYS  33  12.371   1.691  -0.264
  245   2HB   LYS  33           HB1      LYS  33  12.907   3.347   0.032
  246   1HG   LYS  33           HG2      LYS  33  11.086   3.137   1.995
  247   2HG   LYS  33           HG1      LYS  33  11.545   1.440   1.868
  248   1HD   LYS  33           HD2      LYS  33  13.692   3.523   1.940
  249   2HD   LYS  33           HD1      LYS  33  12.888   3.072   3.444
  250   1HE   LYS  33           HE2      LYS  33  14.404   1.260   1.550
  251   2HE   LYS  33           HE1      LYS  33  14.794   1.623   3.230
  252   1HZ   LYS  33           HZ1      LYS  33  12.408   0.677   3.615
  253   2HZ   LYS  33           HZ3      LYS  33  12.693  -0.105   2.139
  254   3HZ   LYS  33           HZ2      LYS  33  13.736  -0.371   3.453
  255    H    GLY  34           HN       GLY  34   9.891   1.101  -1.621
  256   1HA   GLY  34           HA2      GLY  34   8.206   0.256   0.632
  257   2HA   GLY  34           HA1      GLY  34   7.326   0.758  -0.810
  258    OH   TYR  35           OH       TYR  35   7.404  -4.608   5.257
  259    H    TYR  35           HN       TYR  35   8.075  -1.969   0.607
  260    HA   TYR  35           HA       TYR  35   9.020  -3.305  -1.893
  261   1HB   TYR  35           HB2      TYR  35   9.591  -5.236  -0.436
  262   2HB   TYR  35           HB1      TYR  35  10.474  -3.783  -0.002
  263    HD1  TYR  35           HD2      TYR  35   7.282  -5.578   0.811
  264    HD2  TYR  35           HD1      TYR  35  10.483  -3.100   2.249
  265    HE1  TYR  35           HE2      TYR  35   6.374  -5.740   3.108
  266    HE2  TYR  35           HE1      TYR  35   9.573  -3.265   4.550
  267    HH   TYR  35           HH       TYR  35   7.978  -4.109   5.842
  268    H    CYS  36           HN       CYS  36   8.177  -5.820  -1.525
  269    HA   CYS  36           HA       CYS  36   5.212  -5.507  -1.439
  270   1HB   CYS  36           HB2      CYS  36   6.311  -6.077  -3.643
  271   2HB   CYS  36           HB1      CYS  36   6.770  -7.616  -2.928
  272    OH   TYR  37           OH       TYR  37   2.904 -11.896   6.269
  273    H    TYR  37           HN       TYR  37   4.341  -6.452   0.321
  274    HA   TYR  37           HA       TYR  37   5.780  -8.647   1.665
  275   1HB   TYR  37           HB2      TYR  37   4.751  -6.979   3.105
  276   2HB   TYR  37           HB1      TYR  37   3.191  -7.197   2.317
  277    HD1  TYR  37           HD2      TYR  37   5.349 -10.104   2.867
  278    HD2  TYR  37           HD1      TYR  37   2.139  -7.766   4.503
  279    HE1  TYR  37           HE2      TYR  37   4.828 -11.932   4.459
  280    HE2  TYR  37           HE1      TYR  37   1.619  -9.593   6.096
  281    HH   TYR  37           HH       TYR  37   3.342 -11.693   7.099
  282    CH2  TRP  38           CH2      TRP  38   3.816 -15.480  -5.544
  283    H    TRP  38           HN       TRP  38   5.620 -10.256   0.066
  284    HA   TRP  38           HA       TRP  38   3.281 -11.005  -1.339
  285   1HB   TRP  38           HB2      TRP  38   5.955 -11.907  -1.103
  286   2HB   TRP  38           HB1      TRP  38   4.941 -13.311  -0.812
  287    HD1  TRP  38           HD1      TRP  38   4.814 -10.332  -3.304
  288    HE1  TRP  38           HE1      TRP  38   4.269 -11.271  -5.638
  289    HE3  TRP  38           HE3      TRP  38   4.459 -15.306  -2.197
  290    HZ2  TRP  38           HZ2      TRP  38   3.755 -13.789  -6.880
  291    HZ3  TRP  38           HZ3      TRP  38   3.944 -16.953  -3.977
  292    HH2  TRP  38           HH2      TRP  38   3.593 -16.202  -6.316
  293    H    GLY  39           HN       GLY  39   3.444 -13.953  -0.416
  294   1HA   GLY  39           HA2      GLY  39   2.323 -15.321   1.129
  295   2HA   GLY  39           HA1      GLY  39   2.364 -13.970   2.270
  296    H    LYS  40           HN       LYS  40   1.139 -13.449  -0.909
  297    HA   LYS  40           HA       LYS  40  -0.998 -12.976  -1.717
  298   1HB   LYS  40           HB2      LYS  40  -1.718 -14.773   0.608
  299   2HB   LYS  40           HB1      LYS  40  -2.933 -14.074  -0.461
  300   1HG   LYS  40           HG2      LYS  40  -2.477 -16.158  -1.456
  301   2HG   LYS  40           HG1      LYS  40  -1.481 -15.036  -2.386
  302   1HD   LYS  40           HD2      LYS  40   0.499 -15.715  -1.331
  303   2HD   LYS  40           HD1      LYS  40  -0.357 -16.385   0.059
  304   1HE   LYS  40           HE2      LYS  40  -1.400 -18.031  -1.661
  305   2HE   LYS  40           HE1      LYS  40  -0.069 -17.539  -2.708
  306   1HZ   LYS  40           HZ1      LYS  40   0.352 -18.476   0.070
  307   2HZ   LYS  40           HZ3      LYS  40   0.341 -19.534  -1.256
  308   3HZ   LYS  40           HZ2      LYS  40   1.508 -18.301  -1.164
  309    H    VAL  41           HN       VAL  41   0.381 -11.202   0.192
  310    HA   VAL  41           HA       VAL  41  -1.945 -10.044   1.652
  311    HB   VAL  41           HB       VAL  41   1.026  -9.527   1.882
  312   1HG1  VAL  41          HG12      VAL  41  -1.352  -8.006   2.834
  313   2HG1  VAL  41          HG11      VAL  41  -0.023  -8.211   3.976
  314   3HG1  VAL  41          HG13      VAL  41   0.261  -7.424   2.422
  315   1HG2  VAL  41          HG23      VAL  41  -0.806 -11.356   3.116
  316   2HG2  VAL  41          HG22      VAL  41   0.914 -11.149   3.442
  317   3HG2  VAL  41          HG21      VAL  41  -0.271 -10.193   4.331
  318    H    SER  42           HN       SER  42   0.741  -7.995   0.706
  319    HA   SER  42           HA       SER  42  -0.468  -6.943  -1.719
  320   1HB   SER  42           HB2      SER  42  -1.514  -6.003   0.820
  321   2HB   SER  42           HB1      SER  42  -0.795  -4.689  -0.102
  322    HG   SER  42           HG       SER  42  -2.557  -4.762  -1.235
  323    H    CYS  43           HN       CYS  43   0.313  -4.282  -1.506
  324    HA   CYS  43           HA       CYS  43   3.247  -4.528  -1.609
  325   1HB   CYS  43           HB2      CYS  43   1.196  -2.576  -2.543
  326   2HB   CYS  43           HB1      CYS  43   2.771  -1.910  -2.129
  327    OH   TYR  44           OH       TYR  44   4.006  -0.456   7.533
  328    H    TYR  44           HN       TYR  44   4.420  -2.447  -0.671
  329    HA   TYR  44           HA       TYR  44   3.152  -1.400   1.761
  330   1HB   TYR  44           HB2      TYR  44   4.245  -3.679   2.325
  331   2HB   TYR  44           HB1      TYR  44   5.778  -2.823   2.151
  332    HD1  TYR  44           HD2      TYR  44   2.589  -2.939   3.999
  333    HD2  TYR  44           HD1      TYR  44   6.475  -1.159   3.774
  334    HE1  TYR  44           HE2      TYR  44   2.259  -1.962   6.237
  335    HE2  TYR  44           HE1      TYR  44   6.161  -0.174   6.023
  336    HH   TYR  44           HH       TYR  44   3.067  -0.481   7.732
  337    H    CYS  45           HN       CYS  45   3.767   0.690   1.944
  338    HA   CYS  45           HA       CYS  45   6.291   1.505   0.570
  339   1HB   CYS  45           HB2      CYS  45   3.936   3.261   1.282
  340   2HB   CYS  45           HB1      CYS  45   5.298   3.676   0.252
  341    OH   TYR  46           OH       TYR  46   8.452  -2.079   5.892
  342    H    TYR  46           HN       TYR  46   7.286   3.505   1.525
  343    HA   TYR  46           HA       TYR  46   6.989   3.744   4.478
  344   1HB   TYR  46           HB2      TYR  46   9.537   3.175   2.958
  345   2HB   TYR  46           HB1      TYR  46   9.535   3.804   4.595
  346    HD1  TYR  46           HD1      TYR  46   8.808   0.896   2.457
  347    HD2  TYR  46           HD2      TYR  46   8.838   2.417   6.465
  348    HE1  TYR  46           HE1      TYR  46   8.584  -1.409   3.339
  349    HE2  TYR  46           HE2      TYR  46   8.603   0.116   7.350
  350    HH   TYR  46           HH       TYR  46   7.627  -2.130   6.381
  351    H    GLY  47           HN       GLY  47   6.365   5.896   4.509
  352   1HA   GLY  47           HA2      GLY  47   7.532   8.177   4.519
  353   2HA   GLY  47           HA1      GLY  47   7.953   7.812   2.849
  354    H    LEU  48           HN       LEU  48   4.853   6.770   3.973
  355    HA   LEU  48           HA       LEU  48   3.548   8.491   2.017
  356   1HB   LEU  48           HB2      LEU  48   2.412   6.592   4.092
  357   2HB   LEU  48           HB1      LEU  48   1.488   7.358   2.795
  358    HG   LEU  48           HG       LEU  48   3.850   5.487   2.434
  359   1HD1  LEU  48          HD11      LEU  48   0.892   5.190   2.392
  360   2HD1  LEU  48          HD13      LEU  48   1.787   4.352   1.123
  361   3HD1  LEU  48          HD12      LEU  48   2.136   4.013   2.819
  362   1HD2  LEU  48          HD21      LEU  48   2.479   7.408   0.665
  363   2HD2  LEU  48          HD23      LEU  48   4.066   6.658   0.493
  364   3HD2  LEU  48          HD22      LEU  48   2.618   5.781  -0.004
  365    HA   PRO  49           HA       PRO  49   2.641  11.948   4.508
  366   1HB   PRO  49           HB2      PRO  49  -0.066  12.158   3.508
  367   2HB   PRO  49           HB1      PRO  49   1.340  13.145   3.083
  368   1HG   PRO  49           HG2      PRO  49   0.066  11.162   1.453
  369   2HG   PRO  49           HG1      PRO  49   1.534  12.075   1.081
  370   1HD   PRO  49           HD2      PRO  49   1.308   9.273   1.784
  371   2HD   PRO  49           HD1      PRO  49   2.771  10.180   1.355
  372    H    ASP  50           HN       ASP  50   1.411  12.474   6.414
  373    HA   ASP  50           HA       ASP  50   0.487  10.306   7.952
  374   1HB   ASP  50           HB2      ASP  50   0.570  13.238   8.174
  375   2HB   ASP  50           HB1      ASP  50  -0.698  12.462   9.112
  376    H    ASN  51           HN       ASN  51  -1.232  12.753   6.152
  377    HA   ASN  51           HA       ASN  51  -3.815  11.602   6.757
  378   1HB   ASN  51           HB2      ASN  51  -4.505  13.467   5.056
  379   2HB   ASN  51           HB1      ASN  51  -3.961  13.918   6.657
  380   1HD2  ASN  51          HD22      ASN  51  -1.856  16.142   4.886
  381   2HD2  ASN  51          HD21      ASN  51  -3.293  15.989   5.780
  382    H    SER  52           HN       SER  52  -1.659  10.238   5.023
  383    HA   SER  52           HA       SER  52  -2.836  10.069   2.368
  384   1HB   SER  52           HB2      SER  52  -0.395   9.506   3.161
  385   2HB   SER  52           HB1      SER  52  -1.074   7.920   3.517
  386    HG   SER  52           HG       SER  52  -0.200   8.255   1.333
  387    HA   PRO  53           HA       PRO  53  -6.196   7.390   3.506
  388   1HB   PRO  53           HB2      PRO  53  -6.456   6.490   0.793
  389   2HB   PRO  53           HB1      PRO  53  -7.446   7.678   1.650
  390   1HG   PRO  53           HG2      PRO  53  -5.492   8.169  -0.418
  391   2HG   PRO  53           HG1      PRO  53  -6.513   9.347   0.418
  392   1HD   PRO  53           HD2      PRO  53  -3.683   8.942   0.734
  393   2HD   PRO  53           HD1      PRO  53  -4.719  10.094   1.600
  394    H    THR  54           HN       THR  54  -4.799   5.820   4.644
  395    HA   THR  54           HA       THR  54  -4.024   3.479   2.952
  396    HB   THR  54           HB       THR  54  -2.593   2.813   4.878
  397    HG1  THR  54           HG1      THR  54  -3.888   3.962   6.439
  398   1HG2  THR  54          HG23      THR  54  -2.285   5.446   3.493
  399   2HG2  THR  54          HG22      THR  54  -1.120   5.001   4.738
  400   3HG2  THR  54          HG21      THR  54  -1.332   3.972   3.325
  401    H    LYS  55           HN       LYS  55  -4.383   1.316   4.191
  402    HA   LYS  55           HA       LYS  55  -7.125   1.035   4.793
  403   1HB   LYS  55           HB2      LYS  55  -5.787  -0.882   4.115
  404   2HB   LYS  55           HB1      LYS  55  -4.807  -0.749   5.575
  405   1HG   LYS  55           HG2      LYS  55  -6.340  -2.409   6.181
  406   2HG   LYS  55           HG1      LYS  55  -7.106  -0.956   6.824
  407   1HD   LYS  55           HD2      LYS  55  -7.933  -1.181   4.115
  408   2HD   LYS  55           HD1      LYS  55  -8.108  -2.781   4.835
  409   1HE   LYS  55           HE2      LYS  55  -9.305  -1.675   6.773
  410   2HE   LYS  55           HE1      LYS  55  -9.300  -0.183   5.836
  411   1HZ   LYS  55           HZ1      LYS  55 -10.448  -1.405   4.048
  412   2HZ   LYS  55           HZ3      LYS  55 -10.551  -2.761   5.060
  413   3HZ   LYS  55           HZ2      LYS  55 -11.360  -1.327   5.483
  414    H    THR  56           HN       THR  56  -8.058   2.136   6.446
  415    HA   THR  56           HA       THR  56  -6.679   2.187   9.094
  416    HB   THR  56           HB       THR  56  -8.869   3.885   7.882
  417    HG1  THR  56           HG1      THR  56  -6.188   4.174   8.541
  418   1HG2  THR  56          HG22      THR  56  -8.575   3.169  10.618
  419   2HG2  THR  56          HG21      THR  56  -8.031   4.835  10.450
  420   3HG2  THR  56          HG23      THR  56  -9.651   4.381   9.926
  421    H    SER  57           HN       SER  57 -10.002   2.252   8.021
  422    HA   SER  57           HA       SER  57 -10.778  -0.291   8.990
  423   1HB   SER  57           HB2      SER  57 -12.241   0.926  10.904
  424   2HB   SER  57           HB1      SER  57 -10.661   0.220  11.227
  425    HG   SER  57           HG       SER  57 -10.569   2.291  11.969
  426    H    GLY  58           HN       GLY  58 -11.373   0.742   6.662
  427   1HA   GLY  58           HA2      GLY  58 -14.072   1.978   6.928
  428   2HA   GLY  58           HA1      GLY  58 -13.040   2.165   5.515
  429    H    LYS  59           HN       LYS  59 -15.314   1.414   4.710
  430    HA   LYS  59           HA       LYS  59 -15.818  -1.466   4.883
  431   1HB   LYS  59           HB2      LYS  59 -17.605  -0.828   3.121
  432   2HB   LYS  59           HB1      LYS  59 -17.788  -0.191   4.754
  433   1HG   LYS  59           HG2      LYS  59 -17.518   1.948   4.057
  434   2HG   LYS  59           HG1      LYS  59 -16.119   1.525   3.070
  435   1HD   LYS  59           HD2      LYS  59 -17.349   1.432   1.183
  436   2HD   LYS  59           HD1      LYS  59 -18.615   0.482   1.961
  437   1HE   LYS  59           HE2      LYS  59 -19.921   2.311   2.088
  438   2HE   LYS  59           HE1      LYS  59 -18.690   3.130   3.049
  439   1HZ   LYS  59           HZ3      LYS  59 -18.237   2.937   0.172
  440   2HZ   LYS  59           HZ2      LYS  59 -19.450   4.008   0.692
  441   3HZ   LYS  59           HZ1      LYS  59 -17.855   4.190   1.249
  442    H    CYS  60           HN       CYS  60 -13.498  -1.852   3.844
  443    HA   CYS  60           HA       CYS  60 -13.332  -1.400   0.967
  444   1HB   CYS  60           HB2      CYS  60 -11.206  -1.656   1.932
  445   2HB   CYS  60           HB1      CYS  60 -11.714  -2.985   2.962
  446    H    ASN  61           HN       ASN  61 -13.294  -3.316  -0.575
  447    HA   ASN  61           HA       ASN  61 -15.424  -5.249   0.263
  448   1HB   ASN  61           HB2      ASN  61 -16.068  -3.748  -1.592
  449   2HB   ASN  61           HB1      ASN  61 -14.695  -4.332  -2.532
  450   1HD2  ASN  61          HD22      ASN  61 -17.726  -6.348  -3.460
  451   2HD2  ASN  61          HD21      ASN  61 -17.351  -4.693  -3.501
  452    HA   PRO  62           HA       PRO  62 -11.645  -7.799  -0.426
  453   1HB   PRO  62           HB2      PRO  62 -12.299  -9.425   1.782
  454   2HB   PRO  62           HB1      PRO  62 -11.068  -8.155   1.746
  455   1HG   PRO  62           HG2      PRO  62 -13.652  -8.126   3.102
  456   2HG   PRO  62           HG1      PRO  62 -12.332  -6.954   3.216
  457   1HD   PRO  62           HD2      PRO  62 -14.826  -6.645   1.822
  458   2HD   PRO  62           HD1      PRO  62 -13.469  -5.504   1.898
  459    H    ALA  63           HN       ALA  63 -14.393  -9.334   1.147
  460    HA   ALA  63           HA       ALA  63 -15.148 -10.751  -1.327
  461   1HB   ALA  63           HB3      ALA  63 -14.111 -12.155   1.149
  462   2HB   ALA  63           HB2      ALA  63 -15.042 -12.970  -0.108
  463   3HB   ALA  63           HB1      ALA  63 -13.473 -12.266  -0.492
   
  Start of MODEL          15
 Raw file had  463 H/Q atoms
  Start of MODEL   15
    1   1H    LYS   1           HT3      LYS   1   4.222  13.876   4.009
    2   2H    LYS   1           HT2      LYS   1   4.760  14.287   2.450
    3   3H    LYS   1           HT1      LYS   1   3.097  14.143   2.768
    4    HA   LYS   1           HA       LYS   1   3.322  12.099   1.907
    5   1HB   LYS   1           HB2      LYS   1   5.631  10.933   2.062
    6   2HB   LYS   1           HB1      LYS   1   5.493  12.335   1.000
    7   1HG   LYS   1           HG2      LYS   1   6.573  13.761   2.548
    8   2HG   LYS   1           HG1      LYS   1   6.336  12.631   3.882
    9   1HD   LYS   1           HD2      LYS   1   7.807  11.004   2.521
   10   2HD   LYS   1           HD1      LYS   1   8.263  12.417   1.570
   11   1HE   LYS   1           HE2      LYS   1   8.378  12.792   4.500
   12   2HE   LYS   1           HE1      LYS   1   9.550  11.648   3.846
   13   1HZ   LYS   1           HZ2      LYS   1   9.370  13.946   2.201
   14   2HZ   LYS   1           HZ1      LYS   1   9.705  14.402   3.803
   15   3HZ   LYS   1           HZ3      LYS   1  10.725  13.308   3.003
   16    H    LYS   2           HN       LYS   2   3.637   9.805   2.815
   17    HA   LYS   2           HA       LYS   2   4.211   9.528   5.645
   18   1HB   LYS   2           HB2      LYS   2   1.804   8.760   6.168
   19   2HB   LYS   2           HB1      LYS   2   2.094  10.496   6.073
   20   1HG   LYS   2           HG2      LYS   2   0.318  10.468   4.646
   21   2HG   LYS   2           HG1      LYS   2   1.513   9.934   3.465
   22   1HD   LYS   2           HD2      LYS   2   0.749   7.775   3.462
   23   2HD   LYS   2           HD1      LYS   2   0.329   7.811   5.175
   24   1HE   LYS   2           HE2      LYS   2  -1.606   7.731   3.429
   25   2HE   LYS   2           HE1      LYS   2  -1.738   8.857   4.777
   26   1HZ   LYS   2           HZ2      LYS   2  -0.477   9.706   2.255
   27   2HZ   LYS   2           HZ1      LYS   2  -2.171   9.695   2.399
   28   3HZ   LYS   2           HZ3      LYS   2  -1.238  10.649   3.445
   29    H    ASP   3           HN       ASP   3   4.062   7.323   6.353
   30    HA   ASP   3           HA       ASP   3   4.346   5.361   4.160
   31   1HB   ASP   3           HB2      ASP   3   4.473   4.698   7.090
   32   2HB   ASP   3           HB1      ASP   3   5.413   4.024   5.756
   33    H    GLY   4           HN       GLY   4   3.113   3.197   4.480
   34   1HA   GLY   4           HA2      GLY   4   1.053   2.538   6.087
   35   2HA   GLY   4           HA1      GLY   4   0.308   3.852   5.186
   36    OH   TYR   5           OH       TYR   5   0.588  -3.159   7.982
   37    H    TYR   5           HN       TYR   5  -1.075   1.740   4.779
   38    HA   TYR   5           HA       TYR   5   0.002   0.120   2.540
   39   1HB   TYR   5           HB2      TYR   5  -2.716  -0.005   3.885
   40   2HB   TYR   5           HB1      TYR   5  -2.033  -1.204   2.791
   41    HD1  TYR   5           HD1      TYR   5  -0.020  -2.537   3.511
   42    HD2  TYR   5           HD2      TYR   5  -2.145   0.035   6.211
   43    HE1  TYR   5           HE1      TYR   5   1.008  -3.716   5.431
   44    HE2  TYR   5           HE2      TYR   5  -1.110  -1.134   8.138
   45    HH   TYR   5           HH       TYR   5   0.977  -2.498   8.561
   46    HA   PRO   6           HA       PRO   6  -1.912   3.280  -0.082
   47   1HB   PRO   6           HB2      PRO   6  -1.028   1.800  -2.377
   48   2HB   PRO   6           HB1      PRO   6  -0.346   3.296  -1.724
   49   1HG   PRO   6           HG2      PRO   6   0.799   0.652  -1.627
   50   2HG   PRO   6           HG1      PRO   6   1.473   2.150  -0.974
   51   1HD   PRO   6           HD2      PRO   6   0.321  -0.058   0.488
   52   2HD   PRO   6           HD1      PRO   6   1.025   1.435   1.137
   53    H    VAL   7           HN       VAL   7  -4.069   3.170  -0.641
   54    HA   VAL   7           HA       VAL   7  -5.118   0.556  -1.663
   55    HB   VAL   7           HB       VAL   7  -7.206   0.964  -0.512
   56   1HG1  VAL   7          HG13      VAL   7  -5.327  -0.059   0.773
   57   2HG1  VAL   7          HG12      VAL   7  -4.902   1.540   1.376
   58   3HG1  VAL   7          HG11      VAL   7  -6.454   0.819   1.802
   59   1HG2  VAL   7          HG23      VAL   7  -5.943   3.646   0.006
   60   2HG2  VAL   7          HG22      VAL   7  -7.565   3.277  -0.581
   61   3HG2  VAL   7          HG21      VAL   7  -7.162   3.021   1.118
   62    H    ASP   8           HN       ASP   8  -6.499   0.682  -3.445
   63    HA   ASP   8           HA       ASP   8  -6.271   3.002  -5.116
   64   1HB   ASP   8           HB2      ASP   8  -7.826   1.882  -6.609
   65   2HB   ASP   8           HB1      ASP   8  -6.719   0.677  -5.952
   66    H    SER   9           HN       SER   9  -8.838   3.530  -6.076
   67    HA   SER   9           HA       SER   9  -9.801   5.389  -4.093
   68   1HB   SER   9           HB2      SER   9 -11.871   4.938  -5.968
   69   2HB   SER   9           HB1      SER   9 -10.709   6.259  -5.958
   70    HG   SER   9           HG       SER   9 -10.650   3.810  -7.340
   71    H    GLY  10           HN       GLY  10 -10.620   2.093  -4.935
   72   1HA   GLY  10           HA2      GLY  10 -13.146   2.040  -3.515
   73   2HA   GLY  10           HA1      GLY  10 -12.237   0.628  -4.052
   74    H    ASN  11           HN       ASN  11  -9.898   2.115  -2.489
   75    HA   ASN  11           HA       ASN  11  -9.103   2.164  -0.269
   76   1HB   ASN  11           HB2      ASN  11 -11.841   2.309   0.131
   77   2HB   ASN  11           HB1      ASN  11 -11.392   0.847   1.008
   78   1HD2  ASN  11          HD22      ASN  11 -10.552   3.003   3.688
   79   2HD2  ASN  11          HD21      ASN  11 -11.594   1.785   3.131
   80    H    CYS  12           HN       CYS  12  -8.798   0.084  -2.157
   81    HA   CYS  12           HA       CYS  12  -8.655  -2.328  -0.406
   82   1HB   CYS  12           HB2      CYS  12  -8.975  -1.949  -3.378
   83   2HB   CYS  12           HB1      CYS  12  -8.293  -3.441  -2.743
   84    H    LYS  13           HN       LYS  13  -6.621  -2.295   0.476
   85    HA   LYS  13           HA       LYS  13  -4.384  -0.985  -0.711
   86   1HB   LYS  13           HB2      LYS  13  -3.030  -2.258   0.974
   87   2HB   LYS  13           HB1      LYS  13  -4.403  -1.400   1.672
   88   1HG   LYS  13           HG2      LYS  13  -5.714  -3.584   1.406
   89   2HG   LYS  13           HG1      LYS  13  -4.158  -4.355   1.095
   90   1HD   LYS  13           HD2      LYS  13  -3.334  -3.813   3.253
   91   2HD   LYS  13           HD1      LYS  13  -4.615  -2.631   3.533
   92   1HE   LYS  13           HE2      LYS  13  -5.235  -4.569   4.785
   93   2HE   LYS  13           HE1      LYS  13  -6.259  -4.575   3.349
   94   1HZ   LYS  13           HZ1      LYS  13  -4.028  -5.899   2.555
   95   2HZ   LYS  13           HZ3      LYS  13  -4.234  -6.435   4.150
   96   3HZ   LYS  13           HZ2      LYS  13  -5.493  -6.622   3.025
   97    OH   TYR  14           OH       TYR  14  -3.952   1.637  -6.049
   98    H    TYR  14           HN       TYR  14  -2.557  -1.833  -1.790
   99    HA   TYR  14           HA       TYR  14  -3.134  -4.122  -3.513
  100   1HB   TYR  14           HB2      TYR  14  -0.522  -2.605  -3.254
  101   2HB   TYR  14           HB1      TYR  14  -1.063  -3.580  -4.622
  102    HD1  TYR  14           HD1      TYR  14  -1.693  -0.468  -2.701
  103    HD2  TYR  14           HD2      TYR  14  -2.568  -2.700  -6.267
  104    HE1  TYR  14           HE1      TYR  14  -2.816   1.517  -3.666
  105    HE2  TYR  14           HE2      TYR  14  -3.692  -0.713  -7.235
  106    HH   TYR  14           HH       TYR  14  -4.641   1.328  -6.642
  107    H    GLU  15           HN       GLU  15  -2.616  -6.180  -3.030
  108    HA   GLU  15           HA       GLU  15  -1.172  -6.794  -0.577
  109   1HB   GLU  15           HB2      GLU  15  -3.077  -8.089  -2.035
  110   2HB   GLU  15           HB1      GLU  15  -1.624  -8.971  -2.506
  111   1HG   GLU  15           HG2      GLU  15  -1.137  -8.931   0.092
  112   2HG   GLU  15           HG1      GLU  15  -2.884  -8.708   0.201
  113    H    CYS  16           HN       CYS  16   0.658  -8.418  -0.625
  114    HA   CYS  16           HA       CYS  16   2.315  -8.519  -3.028
  115   1HB   CYS  16           HB2      CYS  16   4.258  -7.377  -1.859
  116   2HB   CYS  16           HB1      CYS  16   2.943  -6.305  -2.340
  117    H    LEU  17           HN       LEU  17   4.508  -9.582  -2.411
  118    HA   LEU  17           HA       LEU  17   4.352 -11.203   0.061
  119   1HB   LEU  17           HB2      LEU  17   4.953 -13.258  -1.384
  120   2HB   LEU  17           HB1      LEU  17   3.269 -12.737  -1.370
  121    HG   LEU  17           HG       LEU  17   4.476 -11.236  -3.411
  122   1HD1  LEU  17          HD12      LEU  17   6.107 -13.445  -2.966
  123   2HD1  LEU  17          HD11      LEU  17   5.057 -13.966  -4.285
  124   3HD1  LEU  17          HD13      LEU  17   6.030 -12.504  -4.456
  125   1HD2  LEU  17          HD21      LEU  17   2.173 -12.371  -3.185
  126   2HD2  LEU  17          HD23      LEU  17   2.899 -12.362  -4.792
  127   3HD2  LEU  17          HD22      LEU  17   2.960 -13.822  -3.805
  128    H    LYS  18           HN       LYS  18   6.093  -9.151  -1.621
  129    HA   LYS  18           HA       LYS  18   8.645 -10.233  -0.644
  130   1HB   LYS  18           HB2      LYS  18   8.085  -9.769  -3.583
  131   2HB   LYS  18           HB1      LYS  18   9.720  -9.815  -2.919
  132   1HG   LYS  18           HG2      LYS  18   7.669 -12.035  -2.672
  133   2HG   LYS  18           HG1      LYS  18   9.038 -12.031  -3.784
  134   1HD   LYS  18           HD2      LYS  18  10.215 -11.452  -1.343
  135   2HD   LYS  18           HD1      LYS  18   8.973 -12.630  -0.920
  136   1HE   LYS  18           HE2      LYS  18   9.816 -14.158  -2.658
  137   2HE   LYS  18           HE1      LYS  18  11.054 -12.982  -3.097
  138   1HZ   LYS  18           HZ2      LYS  18  10.754 -14.241  -0.424
  139   2HZ   LYS  18           HZ1      LYS  18  11.905 -14.683  -1.593
  140   3HZ   LYS  18           HZ3      LYS  18  11.969 -13.145  -0.881
  141    H    ASP  19           HN       ASP  19  10.283  -8.564  -0.531
  142    HA   ASP  19           HA       ASP  19   9.175  -5.916  -0.134
  143   1HB   ASP  19           HB2      ASP  19  11.272  -7.140   0.962
  144   2HB   ASP  19           HB1      ASP  19  12.123  -6.336  -0.358
  145    H    ASP  20           HN       ASP  20  10.622  -7.571  -2.818
  146    HA   ASP  20           HA       ASP  20  11.513  -5.229  -4.251
  147   1HB   ASP  20           HB2      ASP  20  11.922  -6.752  -6.016
  148   2HB   ASP  20           HB1      ASP  20  12.189  -7.706  -4.570
  149    OH   TYR  21           OH       TYR  21   0.908  -5.368  -6.308
  150    H    TYR  21           HN       TYR  21   8.590  -7.283  -4.404
  151    HA   TYR  21           HA       TYR  21   7.291  -5.841  -6.492
  152   1HB   TYR  21           HB2      TYR  21   6.440  -7.999  -5.905
  153   2HB   TYR  21           HB1      TYR  21   6.251  -7.538  -4.213
  154    HD1  TYR  21           HD1      TYR  21   4.481  -5.931  -3.537
  155    HD2  TYR  21           HD2      TYR  21   4.799  -7.391  -7.565
  156    HE1  TYR  21           HE1      TYR  21   2.180  -5.135  -4.004
  157    HE2  TYR  21           HE2      TYR  21   2.496  -6.593  -8.033
  158    HH   TYR  21           HH       TYR  21   0.924  -4.408  -6.326
  159    H    CYS  22           HN       CYS  22   7.405  -5.372  -2.999
  160    HA   CYS  22           HA       CYS  22   5.411  -3.285  -2.918
  161   1HB   CYS  22           HB2      CYS  22   6.966  -4.755  -1.069
  162   2HB   CYS  22           HB1      CYS  22   7.300  -3.053  -0.800
  163    H    ASN  23           HN       ASN  23   8.944  -3.286  -3.162
  164    HA   ASN  23           HA       ASN  23   9.335  -0.467  -2.828
  165   1HB   ASN  23           HB2      ASN  23  11.235  -2.009  -2.854
  166   2HB   ASN  23           HB1      ASN  23  10.847  -2.541  -4.481
  167   1HD2  ASN  23          HD22      ASN  23  13.353   0.473  -4.178
  168   2HD2  ASN  23          HD21      ASN  23  13.117  -0.755  -3.032
  169    H    ASP  24           HN       ASP  24   9.350  -2.375  -5.805
  170    HA   ASP  24           HA       ASP  24   9.206  -0.313  -7.689
  171   1HB   ASP  24           HB2      ASP  24   9.356  -2.777  -8.182
  172   2HB   ASP  24           HB1      ASP  24   7.633  -2.897  -7.861
  173    H    LEU  25           HN       LEU  25   6.290  -2.157  -6.819
  174    HA   LEU  25           HA       LEU  25   4.361  -0.414  -7.765
  175   1HB   LEU  25           HB2      LEU  25   3.751  -2.572  -6.844
  176   2HB   LEU  25           HB1      LEU  25   4.314  -2.099  -5.243
  177    HG   LEU  25           HG       LEU  25   2.546  -0.130  -5.603
  178   1HD1  LEU  25          HD13      LEU  25   1.997  -2.063  -7.733
  179   2HD1  LEU  25          HD12      LEU  25   0.596  -1.781  -6.700
  180   3HD1  LEU  25          HD11      LEU  25   1.374  -0.427  -7.519
  181   1HD2  LEU  25          HD21      LEU  25   2.626  -2.621  -4.244
  182   2HD2  LEU  25          HD23      LEU  25   1.624  -1.222  -3.855
  183   3HD2  LEU  25          HD22      LEU  25   1.008  -2.476  -4.931
  184    H    CYS  26           HN       CYS  26   6.335  -0.037  -4.895
  185    HA   CYS  26           HA       CYS  26   4.779   2.061  -3.717
  186   1HB   CYS  26           HB2      CYS  26   7.391   0.744  -3.251
  187   2HB   CYS  26           HB1      CYS  26   7.214   2.345  -2.587
  188    H    LEU  27           HN       LEU  27   7.680   2.015  -5.787
  189    HA   LEU  27           HA       LEU  27   8.200   4.791  -5.733
  190   1HB   LEU  27           HB2      LEU  27   8.806   2.580  -7.688
  191   2HB   LEU  27           HB1      LEU  27   9.198   4.251  -8.092
  192    HG   LEU  27           HG       LEU  27  10.098   2.868  -5.549
  193   1HD1  LEU  27          HD12      LEU  27  11.077   2.608  -8.234
  194   2HD1  LEU  27          HD11      LEU  27  12.265   3.506  -7.288
  195   3HD1  LEU  27          HD13      LEU  27  11.739   1.910  -6.754
  196   1HD2  LEU  27          HD22      LEU  27  10.708   5.534  -6.850
  197   2HD2  LEU  27          HD21      LEU  27  10.037   5.244  -5.245
  198   3HD2  LEU  27          HD23      LEU  27  11.720   4.840  -5.583
  199    H    GLU  28           HN       GLU  28   5.994   2.799  -7.609
  200    HA   GLU  28           HA       GLU  28   5.203   4.783  -9.480
  201   1HB   GLU  28           HB2      GLU  28   4.674   2.465  -9.909
  202   2HB   GLU  28           HB1      GLU  28   3.758   2.358  -8.406
  203   1HG   GLU  28           HG2      GLU  28   1.916   3.271  -9.341
  204   2HG   GLU  28           HG1      GLU  28   2.850   4.537 -10.140
  205    NH1  ARG  29           NH2      ARG  29  -1.628   3.352  -6.442
  206    NH2  ARG  29           NH1      ARG  29  -1.231   1.353  -7.410
  207    H    ARG  29           HN       ARG  29   3.968   3.848  -6.333
  208    HA   ARG  29           HA       ARG  29   1.888   5.874  -6.380
  209   1HB   ARG  29           HB2      ARG  29   2.671   3.649  -4.635
  210   2HB   ARG  29           HB1      ARG  29   2.058   5.057  -3.765
  211   1HG   ARG  29           HG2      ARG  29  -0.025   4.968  -4.819
  212   2HG   ARG  29           HG1      ARG  29   0.600   4.058  -6.193
  213   1HD   ARG  29           HD2      ARG  29   1.087   2.471  -3.914
  214   2HD   ARG  29           HD1      ARG  29  -0.563   3.062  -3.745
  215    HE   ARG  29           HE       ARG  29   0.208   0.978  -5.467
  216   1HH1  ARG  29          HH21      ARG  29  -1.502   3.993  -5.690
  217   2HH1  ARG  29          HH22      ARG  29  -2.241   3.587  -7.196
  218   1HH2  ARG  29          HH11      ARG  29  -0.788   0.457  -7.402
  219   2HH2  ARG  29          HH12      ARG  29  -1.855   1.595  -8.152
  220    H    LYS  30           HN       LYS  30   5.020   6.340  -6.290
  221    HA   LYS  30           HA       LYS  30   6.307   8.172  -5.583
  222   1HB   LYS  30           HB2      LYS  30   3.996   9.351  -5.665
  223   2HB   LYS  30           HB1      LYS  30   3.991   9.135  -3.914
  224   1HG   LYS  30           HG2      LYS  30   6.476  10.237  -5.137
  225   2HG   LYS  30           HG1      LYS  30   5.073  11.302  -5.073
  226   1HD   LYS  30           HD2      LYS  30   5.054  10.225  -2.543
  227   2HD   LYS  30           HD1      LYS  30   6.785  10.318  -2.879
  228   1HE   LYS  30           HE2      LYS  30   5.356  12.713  -3.759
  229   2HE   LYS  30           HE1      LYS  30   5.185  12.428  -2.026
  230   1HZ   LYS  30           HZ2      LYS  30   7.609  12.188  -1.897
  231   2HZ   LYS  30           HZ1      LYS  30   7.733  12.565  -3.549
  232   3HZ   LYS  30           HZ3      LYS  30   7.150  13.725  -2.457
  233    H    ALA  31           HN       ALA  31   7.086   6.082  -4.335
  234    HA   ALA  31           HA       ALA  31   7.105   6.854  -1.459
  235   1HB   ALA  31           HB1      ALA  31   6.512   4.177  -2.664
  236   2HB   ALA  31           HB3      ALA  31   7.302   4.272  -1.089
  237   3HB   ALA  31           HB2      ALA  31   5.714   5.004  -1.326
  238    H    ASP  32           HN       ASP  32   9.064   6.601  -0.458
  239    HA   ASP  32           HA       ASP  32  11.397   6.350  -2.148
  240   1HB   ASP  32           HB2      ASP  32  10.902   7.821   0.029
  241   2HB   ASP  32           HB1      ASP  32  11.591   6.413   0.819
  242    H    LYS  33           HN       LYS  33   9.987   4.593   0.603
  243    HA   LYS  33           HA       LYS  33  11.562   2.197  -0.271
  244   1HB   LYS  33           HB2      LYS  33  12.613   3.042   1.748
  245   2HB   LYS  33           HB1      LYS  33  11.052   3.168   2.557
  246   1HG   LYS  33           HG2      LYS  33  11.015   0.546   1.815
  247   2HG   LYS  33           HG1      LYS  33  12.741   0.786   2.080
  248   1HD   LYS  33           HD2      LYS  33  11.633   2.083   4.247
  249   2HD   LYS  33           HD1      LYS  33  10.542   0.714   4.030
  250   1HE   LYS  33           HE2      LYS  33  12.075  -0.535   5.118
  251   2HE   LYS  33           HE1      LYS  33  13.087  -0.381   3.681
  252   1HZ   LYS  33           HZ1      LYS  33  13.730   1.867   4.743
  253   2HZ   LYS  33           HZ3      LYS  33  13.164   1.168   6.181
  254   3HZ   LYS  33           HZ2      LYS  33  14.440   0.439   5.329
  255    H    GLY  34           HN       GLY  34  10.381   0.259  -0.303
  256   1HA   GLY  34           HA2      GLY  34   7.644   0.334   0.866
  257   2HA   GLY  34           HA1      GLY  34   7.847  -0.085  -0.830
  258    OH   TYR  35           OH       TYR  35   5.721  -2.966   7.931
  259    H    TYR  35           HN       TYR  35   7.540  -1.414   2.210
  260    HA   TYR  35           HA       TYR  35   8.816  -3.928   1.232
  261   1HB   TYR  35           HB2      TYR  35   9.478  -4.586   3.360
  262   2HB   TYR  35           HB1      TYR  35   9.822  -2.883   3.358
  263    HD1  TYR  35           HD1      TYR  35   7.452  -1.463   3.995
  264    HD2  TYR  35           HD2      TYR  35   8.636  -5.353   5.372
  265    HE1  TYR  35           HE1      TYR  35   6.020  -1.195   5.995
  266    HE2  TYR  35           HE2      TYR  35   7.200  -5.082   7.373
  267    HH   TYR  35           HH       TYR  35   4.819  -2.821   7.636
  268    H    CYS  36           HN       CYS  36   7.817  -5.848   2.172
  269    HA   CYS  36           HA       CYS  36   4.843  -5.511   2.154
  270   1HB   CYS  36           HB2      CYS  36   6.009  -6.870   0.341
  271   2HB   CYS  36           HB1      CYS  36   6.371  -8.047   1.593
  272    OH   TYR  37           OH       TYR  37   1.580  -8.479  11.381
  273    H    TYR  37           HN       TYR  37   3.684  -6.157   3.895
  274    HA   TYR  37           HA       TYR  37   5.166  -7.454   6.135
  275   1HB   TYR  37           HB2      TYR  37   4.226  -5.367   6.818
  276   2HB   TYR  37           HB1      TYR  37   2.693  -5.710   6.024
  277    HD1  TYR  37           HD2      TYR  37   4.426  -8.384   7.827
  278    HD2  TYR  37           HD1      TYR  37   1.471  -5.282   8.136
  279    HE1  TYR  37           HE2      TYR  37   3.577  -9.400   9.923
  280    HE2  TYR  37           HE1      TYR  37   0.627  -6.297  10.235
  281    HH   TYR  37           HH       TYR  37   2.072  -8.099  12.111
  282    CH2  TRP  38           CH2      TRP  38   3.576 -16.379   3.170
  283    H    TRP  38           HN       TRP  38   4.769  -9.592   6.384
  284    HA   TRP  38           HA       TRP  38   2.839 -11.029   4.867
  285   1HB   TRP  38           HB2      TRP  38   4.754 -11.633   7.011
  286   2HB   TRP  38           HB1      TRP  38   3.329 -12.673   7.018
  287    HD1  TRP  38           HD1      TRP  38   6.118 -11.488   4.638
  288    HE1  TRP  38           HE1      TRP  38   6.447 -13.281   2.814
  289    HE3  TRP  38           HE3      TRP  38   2.327 -14.685   5.853
  290    HZ2  TRP  38           HZ2      TRP  38   5.256 -15.743   1.981
  291    HZ3  TRP  38           HZ3      TRP  38   1.947 -16.745   4.530
  292    HH2  TRP  38           HH2      TRP  38   3.405 -17.279   2.597
  293    H    GLY  39           HN       GLY  39   2.773 -10.523   8.442
  294   1HA   GLY  39           HA2      GLY  39   0.217 -11.436   8.995
  295   2HA   GLY  39           HA1      GLY  39   0.882 -10.004   9.795
  296    H    LYS  40           HN       LYS  40  -1.636 -11.042   7.841
  297    HA   LYS  40           HA       LYS  40  -3.250  -9.831   6.616
  298   1HB   LYS  40           HB2      LYS  40  -2.787  -8.191   8.654
  299   2HB   LYS  40           HB1      LYS  40  -1.933  -7.248   7.433
  300   1HG   LYS  40           HG2      LYS  40  -3.902  -6.427   6.722
  301   2HG   LYS  40           HG1      LYS  40  -4.397  -8.062   6.275
  302   1HD   LYS  40           HD2      LYS  40  -4.725  -8.099   9.005
  303   2HD   LYS  40           HD1      LYS  40  -5.177  -6.440   8.606
  304   1HE   LYS  40           HE2      LYS  40  -6.273  -8.384   6.713
  305   2HE   LYS  40           HE1      LYS  40  -6.820  -8.669   8.366
  306   1HZ   LYS  40           HZ2      LYS  40  -6.939  -5.954   8.044
  307   2HZ   LYS  40           HZ1      LYS  40  -7.516  -6.570   6.570
  308   3HZ   LYS  40           HZ3      LYS  40  -8.254  -7.029   8.026
  309    H    VAL  41           HN       VAL  41  -1.421 -10.873   5.129
  310    HA   VAL  41           HA       VAL  41   0.631  -9.661   3.855
  311    HB   VAL  41           HB       VAL  41  -0.173 -10.749   1.701
  312   1HG1  VAL  41          HG12      VAL  41   1.033 -11.818   3.824
  313   2HG1  VAL  41          HG11      VAL  41  -0.483 -12.712   3.939
  314   3HG1  VAL  41          HG13      VAL  41   0.499 -12.826   2.479
  315   1HG2  VAL  41          HG21      VAL  41  -2.647 -10.409   2.601
  316   2HG2  VAL  41          HG23      VAL  41  -2.242 -11.808   1.606
  317   3HG2  VAL  41          HG22      VAL  41  -2.353 -11.973   3.358
  318    H    SER  42           HN       SER  42   0.814  -7.568   3.363
  319    HA   SER  42           HA       SER  42  -0.893  -6.443   1.253
  320   1HB   SER  42           HB2      SER  42  -0.691  -4.820   3.782
  321   2HB   SER  42           HB1      SER  42  -1.846  -4.672   2.461
  322    HG   SER  42           HG       SER  42  -2.448  -5.765   4.587
  323    H    CYS  43           HN       CYS  43  -0.002  -4.243   0.602
  324    HA   CYS  43           HA       CYS  43   2.952  -4.304   0.894
  325   1HB   CYS  43           HB2      CYS  43   1.163  -3.636  -1.243
  326   2HB   CYS  43           HB1      CYS  43   2.095  -2.195  -0.838
  327    OH   TYR  44           OH       TYR  44   2.728   2.524   8.205
  328    H    TYR  44           HN       TYR  44   4.100  -2.600   1.755
  329    HA   TYR  44           HA       TYR  44   2.528  -0.384   2.987
  330   1HB   TYR  44           HB2      TYR  44   3.408  -2.298   4.515
  331   2HB   TYR  44           HB1      TYR  44   4.992  -1.576   4.250
  332    HD1  TYR  44           HD2      TYR  44   1.633  -1.058   5.633
  333    HD2  TYR  44           HD1      TYR  44   5.557   0.596   5.197
  334    HE1  TYR  44           HE2      TYR  44   1.094   0.624   7.343
  335    HE2  TYR  44           HE1      TYR  44   5.030   2.299   6.919
  336    HH   TYR  44           HH       TYR  44   3.544   2.757   8.654
  337    H    CYS  45           HN       CYS  45   3.170   1.411   1.825
  338    HA   CYS  45           HA       CYS  45   5.932   1.572   0.792
  339   1HB   CYS  45           HB2      CYS  45   3.536   3.392   0.543
  340   2HB   CYS  45           HB1      CYS  45   5.114   3.800  -0.101
  341    OH   TYR  46           OH       TYR  46   7.388   0.613   7.621
  342    H    TYR  46           HN       TYR  46   6.867   3.883   0.992
  343    HA   TYR  46           HA       TYR  46   6.496   5.067   3.686
  344   1HB   TYR  46           HB2      TYR  46   9.005   3.779   2.634
  345   2HB   TYR  46           HB1      TYR  46   9.099   5.088   3.807
  346    HD1  TYR  46           HD2      TYR  46   8.090   4.828   6.050
  347    HD2  TYR  46           HD1      TYR  46   8.244   1.580   3.251
  348    HE1  TYR  46           HE2      TYR  46   7.607   3.233   7.884
  349    HE2  TYR  46           HE1      TYR  46   7.768  -0.012   5.087
  350    HH   TYR  46           HH       TYR  46   7.014   1.105   8.356
  351    H    GLY  47           HN       GLY  47   5.781   6.972   2.639
  352   1HA   GLY  47           HA2      GLY  47   6.963   9.176   2.046
  353   2HA   GLY  47           HA1      GLY  47   7.734   8.247   0.763
  354    H    LEU  48           HN       LEU  48   4.531   7.269   1.395
  355    HA   LEU  48           HA       LEU  48   3.562   7.821  -1.186
  356   1HB   LEU  48           HB2      LEU  48   2.025   7.638   1.424
  357   2HB   LEU  48           HB1      LEU  48   1.302   7.536  -0.180
  358    HG   LEU  48           HG       LEU  48   3.545   5.699   0.647
  359   1HD1  LEU  48          HD13      LEU  48   0.572   5.421   1.124
  360   2HD1  LEU  48          HD12      LEU  48   1.662   4.036   1.086
  361   3HD1  LEU  48          HD11      LEU  48   1.873   5.291   2.308
  362   1HD2  LEU  48          HD22      LEU  48   1.329   5.590  -1.424
  363   2HD2  LEU  48          HD21      LEU  48   3.051   5.805  -1.738
  364   3HD2  LEU  48          HD23      LEU  48   2.455   4.269  -1.105
  365    HA   PRO  49           HA       PRO  49   2.693  12.078  -1.404
  366   1HB   PRO  49           HB2      PRO  49  -0.055  11.753  -2.270
  367   2HB   PRO  49           HB1      PRO  49   1.359  12.183  -3.243
  368   1HG   PRO  49           HG2      PRO  49  -0.046   9.690  -3.259
  369   2HG   PRO  49           HG1      PRO  49   1.444  10.082  -4.127
  370   1HD   PRO  49           HD2      PRO  49   1.119   8.376  -1.804
  371   2HD   PRO  49           HD1      PRO  49   2.597   8.691  -2.737
  372    H    ASP  50           HN       ASP  50   1.467  13.765  -0.282
  373    HA   ASP  50           HA       ASP  50   0.706  13.190   2.340
  374   1HB   ASP  50           HB2      ASP  50   0.647  15.469   0.564
  375   2HB   ASP  50           HB1      ASP  50  -0.765  15.440   1.612
  376    H    ASN  51           HN       ASN  51  -1.485  14.039  -0.289
  377    HA   ASN  51           HA       ASN  51  -3.818  13.125   1.085
  378   1HB   ASN  51           HB2      ASN  51  -4.815  13.410  -1.267
  379   2HB   ASN  51           HB1      ASN  51  -4.179  14.845  -0.487
  380   1HD2  ASN  51          HD22      ASN  51  -2.650  15.127  -3.746
  381   2HD2  ASN  51          HD21      ASN  51  -4.074  15.512  -2.903
  382    H    SER  52           HN       SER  52  -1.371  11.369  -0.236
  383    HA   SER  52           HA       SER  52  -2.287   9.430  -1.927
  384   1HB   SER  52           HB2      SER  52  -0.040   9.493  -0.768
  385   2HB   SER  52           HB1      SER  52  -0.812   8.727   0.618
  386    HG   SER  52           HG       SER  52  -0.871   6.906  -0.440
  387    HA   PRO  53           HA       PRO  53  -5.996   8.174   0.354
  388   1HB   PRO  53           HB2      PRO  53  -6.679   6.520  -1.887
  389   2HB   PRO  53           HB1      PRO  53  -7.398   8.070  -1.428
  390   1HG   PRO  53           HG2      PRO  53  -5.604   7.519  -3.641
  391   2HG   PRO  53           HG1      PRO  53  -6.406   9.041  -3.234
  392   1HD   PRO  53           HD2      PRO  53  -3.627   8.413  -2.937
  393   2HD   PRO  53           HD1      PRO  53  -4.457   9.899  -2.431
  394    H    THR  54           HN       THR  54  -5.000   6.806   1.894
  395    HA   THR  54           HA       THR  54  -4.201   4.094   0.935
  396    HB   THR  54           HB       THR  54  -2.922   3.915   3.031
  397    HG1  THR  54           HG1      THR  54  -3.804   6.574   3.468
  398   1HG2  THR  54          HG21      THR  54  -2.144   5.238   0.874
  399   2HG2  THR  54          HG23      THR  54  -2.196   6.618   1.971
  400   3HG2  THR  54          HG22      THR  54  -1.156   5.241   2.334
  401    H    LYS  55           HN       LYS  55  -4.541   2.471   2.970
  402    HA   LYS  55           HA       LYS  55  -7.202   1.815   3.156
  403   1HB   LYS  55           HB2      LYS  55  -4.873   0.937   4.406
  404   2HB   LYS  55           HB1      LYS  55  -5.917   1.412   5.745
  405   1HG   LYS  55           HG2      LYS  55  -6.833  -0.367   3.470
  406   2HG   LYS  55           HG1      LYS  55  -6.205  -0.988   4.996
  407   1HD   LYS  55           HD2      LYS  55  -7.982   0.115   6.238
  408   2HD   LYS  55           HD1      LYS  55  -8.569   0.899   4.771
  409   1HE   LYS  55           HE2      LYS  55  -8.339  -2.073   4.710
  410   2HE   LYS  55           HE1      LYS  55  -9.637  -1.392   5.690
  411   1HZ   LYS  55           HZ1      LYS  55  -9.127  -0.732   2.842
  412   2HZ   LYS  55           HZ3      LYS  55 -10.318  -1.805   3.393
  413   3HZ   LYS  55           HZ2      LYS  55 -10.412  -0.156   3.792
  414    H    THR  56           HN       THR  56  -8.634   3.539   3.402
  415    HA   THR  56           HA       THR  56  -8.361   5.458   5.580
  416    HB   THR  56           HB       THR  56 -11.029   5.149   4.368
  417    HG1  THR  56           HG1      THR  56 -10.409   5.632   2.325
  418   1HG2  THR  56          HG22      THR  56 -10.072   7.112   5.690
  419   2HG2  THR  56          HG21      THR  56  -9.100   7.472   4.264
  420   3HG2  THR  56          HG23      THR  56 -10.861   7.521   4.168
  421    H    SER  57           HN       SER  57 -11.105   5.501   6.459
  422    HA   SER  57           HA       SER  57 -10.980   3.294   8.359
  423   1HB   SER  57           HB2      SER  57 -13.302   4.635   8.927
  424   2HB   SER  57           HB1      SER  57 -11.732   5.013   9.626
  425    HG   SER  57           HG       SER  57 -11.747   6.801   8.540
  426    H    GLY  58           HN       GLY  58 -11.397   2.212   5.905
  427   1HA   GLY  58           HA2      GLY  58 -14.207   1.267   6.131
  428   2HA   GLY  58           HA1      GLY  58 -13.637   1.837   4.561
  429    H    LYS  59           HN       LYS  59 -14.267  -0.536   4.091
  430    HA   LYS  59           HA       LYS  59 -11.919  -2.295   4.671
  431   1HB   LYS  59           HB2      LYS  59 -14.829  -2.993   4.196
  432   2HB   LYS  59           HB1      LYS  59 -13.536  -4.192   4.200
  433   1HG   LYS  59           HG2      LYS  59 -13.869  -4.319   6.435
  434   2HG   LYS  59           HG1      LYS  59 -13.053  -2.756   6.519
  435   1HD   LYS  59           HD2      LYS  59 -14.966  -1.926   7.386
  436   2HD   LYS  59           HD1      LYS  59 -15.679  -2.127   5.786
  437   1HE   LYS  59           HE2      LYS  59 -17.062  -3.258   7.467
  438   2HE   LYS  59           HE1      LYS  59 -16.331  -4.444   6.383
  439   1HZ   LYS  59           HZ1      LYS  59 -15.139  -3.665   8.983
  440   2HZ   LYS  59           HZ3      LYS  59 -16.193  -4.980   8.804
  441   3HZ   LYS  59           HZ2      LYS  59 -14.702  -4.972   7.991
  442    H    CYS  60           HN       CYS  60 -11.479  -3.886   2.876
  443    HA   CYS  60           HA       CYS  60 -11.245  -2.485   0.358
  444   1HB   CYS  60           HB2      CYS  60  -9.516  -4.039   0.954
  445   2HB   CYS  60           HB1      CYS  60 -10.683  -5.338   1.199
  446    H    ASN  61           HN       ASN  61 -13.552  -2.066  -0.126
  447    HA   ASN  61           HA       ASN  61 -15.357  -4.282  -0.563
  448   1HB   ASN  61           HB2      ASN  61 -16.923  -2.625  -1.111
  449   2HB   ASN  61           HB1      ASN  61 -15.888  -1.819   0.050
  450   1HD2  ASN  61          HD22      ASN  61 -16.360   0.007  -3.385
  451   2HD2  ASN  61          HD21      ASN  61 -17.482  -1.004  -2.608
  452    HA   PRO  62           HA       PRO  62 -13.670  -5.282  -4.570
  453   1HB   PRO  62           HB2      PRO  62 -16.046  -6.792  -5.166
  454   2HB   PRO  62           HB1      PRO  62 -14.454  -7.411  -4.707
  455   1HG   PRO  62           HG2      PRO  62 -16.849  -7.383  -3.113
  456   2HG   PRO  62           HG1      PRO  62 -15.245  -7.960  -2.641
  457   1HD   PRO  62           HD2      PRO  62 -16.594  -5.553  -1.780
  458   2HD   PRO  62           HD1      PRO  62 -15.003  -6.156  -1.274
  459    H    ALA  63           HN       ALA  63 -15.504  -5.760  -6.740
  460    HA   ALA  63           HA       ALA  63 -16.684  -4.557  -8.371
  461   1HB   ALA  63           HB1      ALA  63 -18.012  -4.116  -5.901
  462   2HB   ALA  63           HB3      ALA  63 -17.938  -2.558  -6.723
  463   3HB   ALA  63           HB2      ALA  63 -18.678  -3.944  -7.525
   
  Start of MODEL          16
 Raw file had  463 H/Q atoms
  Start of MODEL   16
    1   1H    LYS   1           HT1      LYS   1   3.310  14.308   4.207
    2   2H    LYS   1           HT3      LYS   1   4.769  14.737   3.453
    3   3H    LYS   1           HT2      LYS   1   3.326  14.709   2.556
    4    HA   LYS   1           HA       LYS   1   3.559  12.570   2.078
    5   1HB   LYS   1           HB2      LYS   1   6.155  13.289   3.371
    6   2HB   LYS   1           HB1      LYS   1   5.852  11.585   3.037
    7   1HG   LYS   1           HG2      LYS   1   5.763  11.911   0.733
    8   2HG   LYS   1           HG1      LYS   1   5.329  13.614   0.887
    9   1HD   LYS   1           HD2      LYS   1   7.528  13.976   0.415
   10   2HD   LYS   1           HD1      LYS   1   7.771  13.579   2.116
   11   1HE   LYS   1           HE2      LYS   1   9.071  11.869   1.439
   12   2HE   LYS   1           HE1      LYS   1   7.610  11.100   0.815
   13   1HZ   LYS   1           HZ2      LYS   1   7.976  12.546  -1.220
   14   2HZ   LYS   1           HZ1      LYS   1   9.545  12.808  -0.624
   15   3HZ   LYS   1           HZ3      LYS   1   9.036  11.235  -1.005
   16    H    LYS   2           HN       LYS   2   3.803  10.277   3.053
   17    HA   LYS   2           HA       LYS   2   3.666   9.959   5.908
   18   1HB   LYS   2           HB2      LYS   2   1.270   9.357   6.073
   19   2HB   LYS   2           HB1      LYS   2   1.486  11.046   5.608
   20   1HG   LYS   2           HG2      LYS   2  -0.149  10.280   4.097
   21   2HG   LYS   2           HG1      LYS   2   1.345  10.162   3.168
   22   1HD   LYS   2           HD2      LYS   2   1.072   7.942   2.938
   23   2HD   LYS   2           HD1      LYS   2   0.980   7.745   4.688
   24   1HE   LYS   2           HE2      LYS   2  -1.073   6.971   3.410
   25   2HE   LYS   2           HE1      LYS   2  -1.387   8.139   4.693
   26   1HZ   LYS   2           HZ2      LYS   2  -0.787   9.289   2.109
   27   2HZ   LYS   2           HZ1      LYS   2  -2.241   8.408   2.170
   28   3HZ   LYS   2           HZ3      LYS   2  -1.989   9.707   3.233
   29    H    ASP   3           HN       ASP   3   3.650   7.753   6.494
   30    HA   ASP   3           HA       ASP   3   4.038   5.843   4.250
   31   1HB   ASP   3           HB2      ASP   3   4.272   5.027   7.107
   32   2HB   ASP   3           HB1      ASP   3   5.300   4.606   5.738
   33    H    GLY   4           HN       GLY   4   2.688   3.832   4.253
   34   1HA   GLY   4           HA2      GLY   4   0.742   3.187   6.163
   35   2HA   GLY   4           HA1      GLY   4  -0.022   4.386   5.133
   36    OH   TYR   5           OH       TYR   5   0.442  -3.520   7.146
   37    H    TYR   5           HN       TYR   5  -1.516   2.662   4.669
   38    HA   TYR   5           HA       TYR   5  -0.516   0.548   2.821
   39   1HB   TYR   5           HB2      TYR   5  -2.966   0.877   4.548
   40   2HB   TYR   5           HB1      TYR   5  -2.967  -0.264   3.214
   41    HD1  TYR   5           HD1      TYR   5  -0.159  -1.225   3.254
   42    HD2  TYR   5           HD2      TYR   5  -2.891  -0.483   6.484
   43    HE1  TYR   5           HE1      TYR   5   1.053  -2.870   4.659
   44    HE2  TYR   5           HE2      TYR   5  -1.675  -2.127   7.890
   45    HH   TYR   5           HH       TYR   5  -0.132  -3.773   7.872
   46    HA   PRO   6           HA       PRO   6  -2.290   3.476  -0.177
   47   1HB   PRO   6           HB2      PRO   6  -0.914   2.184  -2.275
   48   2HB   PRO   6           HB1      PRO   6  -0.408   3.652  -1.430
   49   1HG   PRO   6           HG2      PRO   6   0.745   0.979  -1.259
   50   2HG   PRO   6           HG1      PRO   6   1.351   2.487  -0.562
   51   1HD   PRO   6           HD2      PRO   6   0.055   0.311   0.809
   52   2HD   PRO   6           HD1      PRO   6   0.648   1.834   1.501
   53    H    VAL   7           HN       VAL   7  -4.309   3.071  -0.973
   54    HA   VAL   7           HA       VAL   7  -4.901   0.332  -2.043
   55    HB   VAL   7           HB       VAL   7  -7.268   0.820  -1.595
   56   1HG1  VAL   7          HG12      VAL   7  -5.736  -0.183   0.148
   57   2HG1  VAL   7          HG11      VAL   7  -5.588   1.426   0.848
   58   3HG1  VAL   7          HG13      VAL   7  -7.159   0.627   0.802
   59   1HG2  VAL   7          HG23      VAL   7  -6.129   3.502  -1.090
   60   2HG2  VAL   7          HG22      VAL   7  -7.744   3.051  -1.633
   61   3HG2  VAL   7          HG21      VAL   7  -7.339   2.979   0.082
   62    H    ASP   8           HN       ASP   8  -5.858   0.187  -4.108
   63    HA   ASP   8           HA       ASP   8  -5.210   2.277  -5.944
   64   1HB   ASP   8           HB2      ASP   8  -6.212   0.930  -7.620
   65   2HB   ASP   8           HB1      ASP   8  -5.586  -0.219  -6.442
   66    H    SER   9           HN       SER   9  -7.378   2.788  -7.532
   67    HA   SER   9           HA       SER   9  -8.740   4.842  -6.074
   68   1HB   SER   9           HB2      SER   9 -10.311   4.568  -8.241
   69   2HB   SER   9           HB1      SER   9  -8.737   5.356  -8.308
   70    HG   SER   9           HG       SER   9  -9.567   2.922  -9.310
   71    H    GLY  10           HN       GLY  10  -9.466   1.475  -6.563
   72   1HA   GLY  10           HA2      GLY  10 -12.295   1.760  -5.864
   73   2HA   GLY  10           HA1      GLY  10 -11.442   0.241  -6.120
   74    H    ASN  11           HN       ASN  11  -9.414   1.725  -4.072
   75    HA   ASN  11           HA       ASN  11  -9.206   1.849  -1.720
   76   1HB   ASN  11           HB2      ASN  11 -11.743   2.377  -1.763
   77   2HB   ASN  11           HB1      ASN  11 -11.967   0.660  -1.422
   78   1HD2  ASN  11          HD22      ASN  11 -11.744   2.465   1.848
   79   2HD2  ASN  11          HD21      ASN  11 -12.781   2.552   0.506
   80    H    CYS  12           HN       CYS  12  -8.221  -0.195  -3.239
   81    HA   CYS  12           HA       CYS  12  -8.638  -2.574  -1.481
   82   1HB   CYS  12           HB2      CYS  12  -8.740  -2.344  -4.376
   83   2HB   CYS  12           HB1      CYS  12  -7.503  -3.489  -3.860
   84    H    LYS  13           HN       LYS  13  -6.898  -2.678  -0.184
   85    HA   LYS  13           HA       LYS  13  -4.441  -1.353  -0.640
   86   1HB   LYS  13           HB2      LYS  13  -5.590  -2.977   1.383
   87   2HB   LYS  13           HB1      LYS  13  -4.013  -3.667   0.998
   88   1HG   LYS  13           HG2      LYS  13  -4.583  -0.786   1.729
   89   2HG   LYS  13           HG1      LYS  13  -3.743  -1.975   2.726
   90   1HD   LYS  13           HD2      LYS  13  -2.798  -1.012   0.011
   91   2HD   LYS  13           HD1      LYS  13  -2.151  -0.475   1.555
   92   1HE   LYS  13           HE2      LYS  13  -1.380  -2.693   2.080
   93   2HE   LYS  13           HE1      LYS  13  -2.192  -3.366   0.665
   94   1HZ   LYS  13           HZ3      LYS  13  -0.758  -1.765  -0.655
   95   2HZ   LYS  13           HZ2      LYS  13   0.162  -1.578   0.762
   96   3HZ   LYS  13           HZ1      LYS  13   0.025  -3.104   0.030
   97    OH   TYR  14           OH       TYR  14  -3.030   1.616  -6.145
   98    H    TYR  14           HN       TYR  14  -2.663  -1.882  -1.851
   99    HA   TYR  14           HA       TYR  14  -2.715  -4.158  -3.605
  100   1HB   TYR  14           HB2      TYR  14  -0.236  -2.644  -2.710
  101   2HB   TYR  14           HB1      TYR  14  -0.437  -3.583  -4.188
  102    HD1  TYR  14           HD2      TYR  14  -2.328  -2.873  -5.805
  103    HD2  TYR  14           HD1      TYR  14  -0.770  -0.338  -2.709
  104    HE1  TYR  14           HE2      TYR  14  -3.242  -0.883  -6.972
  105    HE2  TYR  14           HE1      TYR  14  -1.685   1.648  -3.876
  106    HH   TYR  14           HH       TYR  14  -3.692   1.314  -6.771
  107    H    GLU  15           HN       GLU  15  -1.715  -6.194  -3.374
  108    HA   GLU  15           HA       GLU  15  -1.343  -7.066  -0.611
  109   1HB   GLU  15           HB2      GLU  15  -0.701  -8.680  -3.066
  110   2HB   GLU  15           HB1      GLU  15  -1.224  -9.252  -1.482
  111   1HG   GLU  15           HG2      GLU  15  -2.917  -7.612  -3.390
  112   2HG   GLU  15           HG1      GLU  15  -3.067  -9.350  -3.138
  113    H    CYS  16           HN       CYS  16   0.663  -8.843  -0.596
  114    HA   CYS  16           HA       CYS  16   3.088  -7.751  -1.783
  115   1HB   CYS  16           HB2      CYS  16   4.178  -7.024   0.189
  116   2HB   CYS  16           HB1      CYS  16   2.579  -6.296   0.252
  117    H    LEU  17           HN       LEU  17   4.778  -9.225  -1.734
  118    HA   LEU  17           HA       LEU  17   4.266 -11.783  -0.275
  119   1HB   LEU  17           HB2      LEU  17   5.734 -11.759  -2.894
  120   2HB   LEU  17           HB1      LEU  17   4.805 -13.060  -2.148
  121    HG   LEU  17           HG       LEU  17   2.839 -11.232  -2.466
  122   1HD1  LEU  17          HD13      LEU  17   4.760  -9.858  -3.690
  123   2HD1  LEU  17          HD12      LEU  17   4.321 -10.900  -5.045
  124   3HD1  LEU  17          HD11      LEU  17   3.108  -9.854  -4.307
  125   1HD2  LEU  17          HD23      LEU  17   3.909 -13.285  -4.415
  126   2HD2  LEU  17          HD22      LEU  17   2.599 -13.477  -3.250
  127   3HD2  LEU  17          HD21      LEU  17   2.375 -12.455  -4.669
  128    H    LYS  18           HN       LYS  18   6.745  -9.787  -1.901
  129    HA   LYS  18           HA       LYS  18   8.651 -10.637   0.242
  130   1HB   LYS  18           HB2      LYS  18   9.165 -10.279  -2.721
  131   2HB   LYS  18           HB1      LYS  18  10.456 -10.372  -1.524
  132   1HG   LYS  18           HG2      LYS  18  10.221 -12.613  -1.281
  133   2HG   LYS  18           HG1      LYS  18   8.460 -12.509  -1.252
  134   1HD   LYS  18           HD2      LYS  18   8.332 -13.126  -3.414
  135   2HD   LYS  18           HD1      LYS  18   9.452 -11.849  -3.887
  136   1HE   LYS  18           HE2      LYS  18  10.095 -14.667  -3.015
  137   2HE   LYS  18           HE1      LYS  18  10.551 -13.853  -4.511
  138   1HZ   LYS  18           HZ3      LYS  18  11.627 -12.231  -2.687
  139   2HZ   LYS  18           HZ2      LYS  18  11.768 -13.724  -1.887
  140   3HZ   LYS  18           HZ1      LYS  18  12.465 -13.511  -3.421
  141    H    ASP  19           HN       ASP  19  10.255  -8.982   0.789
  142    HA   ASP  19           HA       ASP  19   9.180  -6.364   1.019
  143   1HB   ASP  19           HB2      ASP  19  10.919  -7.113   2.527
  144   2HB   ASP  19           HB1      ASP  19  12.049  -7.315   1.188
  145    H    ASP  20           HN       ASP  20  11.255  -7.758  -1.483
  146    HA   ASP  20           HA       ASP  20  12.003  -5.277  -2.703
  147   1HB   ASP  20           HB2      ASP  20  11.983  -6.983  -4.812
  148   2HB   ASP  20           HB1      ASP  20  13.304  -6.891  -3.659
  149    OH   TYR  21           OH       TYR  21   1.862  -5.243  -6.307
  150    H    TYR  21           HN       TYR  21   9.077  -7.243  -2.962
  151    HA   TYR  21           HA       TYR  21   8.078  -5.938  -5.337
  152   1HB   TYR  21           HB2      TYR  21   7.077  -8.034  -4.633
  153   2HB   TYR  21           HB1      TYR  21   6.638  -7.345  -3.070
  154    HD1  TYR  21           HD2      TYR  21   6.402  -5.623  -6.362
  155    HD2  TYR  21           HD1      TYR  21   4.250  -7.523  -3.168
  156    HE1  TYR  21           HE2      TYR  21   4.266  -4.805  -7.315
  157    HE2  TYR  21           HE1      TYR  21   2.114  -6.701  -4.118
  158    HH   TYR  21           HH       TYR  21   1.532  -5.909  -6.915
  159    H    CYS  22           HN       CYS  22   7.189  -5.528  -1.900
  160    HA   CYS  22           HA       CYS  22   5.561  -3.267  -2.174
  161   1HB   CYS  22           HB2      CYS  22   7.497  -3.972   0.036
  162   2HB   CYS  22           HB1      CYS  22   6.316  -2.672   0.146
  163    H    ASN  23           HN       ASN  23   9.091  -3.328  -1.697
  164    HA   ASN  23           HA       ASN  23   9.496  -0.521  -1.665
  165   1HB   ASN  23           HB2      ASN  23  11.186  -2.397  -1.236
  166   2HB   ASN  23           HB1      ASN  23  11.358  -2.533  -2.976
  167   1HD2  ASN  23          HD22      ASN  23  13.911  -0.083  -2.625
  168   2HD2  ASN  23          HD21      ASN  23  13.574  -1.715  -2.943
  169    H    ASP  24           HN       ASP  24   9.602  -2.778  -4.387
  170    HA   ASP  24           HA       ASP  24  10.115  -0.868  -6.437
  171   1HB   ASP  24           HB2      ASP  24  10.130  -3.376  -6.708
  172   2HB   ASP  24           HB1      ASP  24   8.374  -3.337  -6.714
  173    H    LEU  25           HN       LEU  25   6.937  -2.405  -6.048
  174    HA   LEU  25           HA       LEU  25   5.371  -0.604  -7.438
  175   1HB   LEU  25           HB2      LEU  25   4.389  -2.609  -6.556
  176   2HB   LEU  25           HB1      LEU  25   4.781  -2.148  -4.902
  177    HG   LEU  25           HG       LEU  25   3.188  -0.084  -6.155
  178   1HD1  LEU  25          HD13      LEU  25   2.301  -2.941  -6.427
  179   2HD1  LEU  25          HD12      LEU  25   1.096  -1.704  -6.068
  180   3HD1  LEU  25          HD11      LEU  25   2.065  -1.592  -7.538
  181   1HD2  LEU  25          HD21      LEU  25   3.615  -1.071  -3.651
  182   2HD2  LEU  25          HD23      LEU  25   2.225  -0.070  -4.073
  183   3HD2  LEU  25          HD22      LEU  25   2.066  -1.826  -4.028
  184    H    CYS  26           HN       CYS  26   6.455  -0.321  -4.103
  185    HA   CYS  26           HA       CYS  26   5.022   1.949  -3.295
  186   1HB   CYS  26           HB2      CYS  26   7.566   0.610  -2.481
  187   2HB   CYS  26           HB1      CYS  26   7.217   2.173  -1.807
  188    H    LEU  27           HN       LEU  27   8.175   1.659  -4.855
  189    HA   LEU  27           HA       LEU  27   8.899   4.393  -4.748
  190   1HB   LEU  27           HB2      LEU  27   9.718   2.079  -6.496
  191   2HB   LEU  27           HB1      LEU  27  10.369   3.695  -6.770
  192    HG   LEU  27           HG       LEU  27  10.440   2.393  -4.045
  193   1HD1  LEU  27          HD11      LEU  27  12.026   1.794  -6.445
  194   2HD1  LEU  27          HD13      LEU  27  13.007   2.237  -5.049
  195   3HD1  LEU  27          HD12      LEU  27  11.878   0.886  -4.941
  196   1HD2  LEU  27          HD23      LEU  27  10.802   4.912  -4.434
  197   2HD2  LEU  27          HD22      LEU  27  12.072   4.061  -3.556
  198   3HD2  LEU  27          HD21      LEU  27  12.291   4.455  -5.261
  199    H    GLU  28           HN       GLU  28   7.241   2.506  -7.281
  200    HA   GLU  28           HA       GLU  28   7.084   4.600  -9.165
  201   1HB   GLU  28           HB2      GLU  28   6.309   2.007  -9.183
  202   2HB   GLU  28           HB1      GLU  28   4.742   2.802  -9.006
  203   1HG   GLU  28           HG2      GLU  28   6.034   4.339 -10.929
  204   2HG   GLU  28           HG1      GLU  28   6.512   2.691 -11.332
  205    NH1  ARG  29           NH2      ARG  29   0.644   2.610  -4.580
  206    NH2  ARG  29           NH1      ARG  29  -0.569   4.085  -5.784
  207    H    ARG  29           HN       ARG  29   5.186   3.909  -6.335
  208    HA   ARG  29           HA       ARG  29   3.072   5.762  -6.933
  209   1HB   ARG  29           HB2      ARG  29   3.649   5.328  -4.071
  210   2HB   ARG  29           HB1      ARG  29   2.134   5.151  -4.947
  211   1HG   ARG  29           HG2      ARG  29   4.427   3.170  -4.907
  212   2HG   ARG  29           HG1      ARG  29   2.863   2.976  -4.133
  213   1HD   ARG  29           HD2      ARG  29   3.438   3.093  -7.096
  214   2HD   ARG  29           HD1      ARG  29   2.751   1.746  -6.197
  215    HE   ARG  29           HE       ARG  29   1.297   3.913  -7.361
  216   1HH1  ARG  29          HH21      ARG  29   1.446   2.025  -4.485
  217   2HH1  ARG  29          HH22      ARG  29  -0.068   2.598  -3.880
  218   1HH2  ARG  29          HH11      ARG  29  -0.689   4.638  -6.608
  219   2HH2  ARG  29          HH12      ARG  29  -1.285   4.064  -5.086
  220    H    LYS  30           HN       LYS  30   6.217   6.026  -5.656
  221    HA   LYS  30           HA       LYS  30   7.373   8.217  -5.806
  222   1HB   LYS  30           HB2      LYS  30   5.348   9.566  -6.143
  223   2HB   LYS  30           HB1      LYS  30   4.832   9.229  -4.489
  224   1HG   LYS  30           HG2      LYS  30   7.573  10.309  -4.749
  225   2HG   LYS  30           HG1      LYS  30   6.282  11.424  -5.196
  226   1HD   LYS  30           HD2      LYS  30   5.650   9.958  -2.750
  227   2HD   LYS  30           HD1      LYS  30   7.149  10.875  -2.600
  228   1HE   LYS  30           HE2      LYS  30   5.953  12.890  -3.471
  229   2HE   LYS  30           HE1      LYS  30   4.453  11.962  -3.461
  230   1HZ   LYS  30           HZ3      LYS  30   5.061  11.507  -1.027
  231   2HZ   LYS  30           HZ2      LYS  30   6.102  12.840  -1.180
  232   3HZ   LYS  30           HZ1      LYS  30   4.433  13.030  -1.428
  233    H    ALA  31           HN       ALA  31   6.255   6.065  -3.588
  234    HA   ALA  31           HA       ALA  31   7.059   7.348  -1.124
  235   1HB   ALA  31           HB2      ALA  31   5.770   4.977  -1.788
  236   2HB   ALA  31           HB1      ALA  31   7.315   4.446  -1.123
  237   3HB   ALA  31           HB3      ALA  31   6.253   5.479  -0.168
  238    H    ASP  32           HN       ASP  32   9.003   7.184  -0.028
  239    HA   ASP  32           HA       ASP  32  11.396   6.992  -1.527
  240   1HB   ASP  32           HB2      ASP  32  10.801   8.034   0.846
  241   2HB   ASP  32           HB1      ASP  32  11.366   6.471   1.410
  242    H    LYS  33           HN       LYS  33   9.788   4.778   0.725
  243    HA   LYS  33           HA       LYS  33  10.853   2.454  -0.706
  244   1HB   LYS  33           HB2      LYS  33  12.041   1.500   1.230
  245   2HB   LYS  33           HB1      LYS  33  12.766   3.036   0.750
  246   1HG   LYS  33           HG2      LYS  33  12.571   3.473   2.992
  247   2HG   LYS  33           HG1      LYS  33  10.943   3.953   2.512
  248   1HD   LYS  33           HD2      LYS  33  10.239   2.443   4.047
  249   2HD   LYS  33           HD1      LYS  33  10.677   1.228   2.845
  250   1HE   LYS  33           HE2      LYS  33  12.552   0.591   3.980
  251   2HE   LYS  33           HE1      LYS  33  12.915   2.239   4.500
  252   1HZ   LYS  33           HZ1      LYS  33  10.659   0.673   5.607
  253   2HZ   LYS  33           HZ3      LYS  33  12.210   0.647   6.292
  254   3HZ   LYS  33           HZ2      LYS  33  11.341   2.105   6.220
  255    H    GLY  34           HN       GLY  34  10.080   0.380   0.483
  256   1HA   GLY  34           HA2      GLY  34   7.963   0.609   2.433
  257   2HA   GLY  34           HA1      GLY  34   7.298   0.418   0.814
  258    OH   TYR  35           OH       TYR  35   5.984  -2.006   8.463
  259    H    TYR  35           HN       TYR  35   7.310  -1.471   3.174
  260    HA   TYR  35           HA       TYR  35   8.623  -3.750   1.748
  261   1HB   TYR  35           HB2      TYR  35   8.988  -4.829   3.929
  262   2HB   TYR  35           HB1      TYR  35   9.815  -3.285   3.839
  263    HD1  TYR  35           HD2      TYR  35   6.610  -4.838   4.953
  264    HD2  TYR  35           HD1      TYR  35   9.419  -1.635   5.491
  265    HE1  TYR  35           HE2      TYR  35   5.358  -4.078   6.953
  266    HE2  TYR  35           HE1      TYR  35   8.166  -0.875   7.493
  267    HH   TYR  35           HH       TYR  35   5.264  -2.624   8.613
  268    H    CYS  36           HN       CYS  36   7.669  -5.868   2.802
  269    HA   CYS  36           HA       CYS  36   4.757  -5.723   2.331
  270   1HB   CYS  36           HB2      CYS  36   5.839  -7.298   0.984
  271   2HB   CYS  36           HB1      CYS  36   6.831  -7.892   2.301
  272    OH   TYR  37           OH       TYR  37   2.091  -4.999  12.138
  273    H    TYR  37           HN       TYR  37   3.702  -5.224   4.164
  274    HA   TYR  37           HA       TYR  37   4.469  -6.222   6.776
  275   1HB   TYR  37           HB2      TYR  37   2.990  -4.156   6.138
  276   2HB   TYR  37           HB1      TYR  37   1.683  -5.330   6.021
  277    HD1  TYR  37           HD2      TYR  37   2.131  -7.211   8.149
  278    HD2  TYR  37           HD1      TYR  37   2.815  -2.970   8.120
  279    HE1  TYR  37           HE2      TYR  37   1.895  -7.156  10.619
  280    HE2  TYR  37           HE1      TYR  37   2.579  -2.913  10.588
  281    HH   TYR  37           HH       TYR  37   1.446  -4.324  12.360
  282    CH2  TRP  38           CH2      TRP  38   3.254 -15.591   3.691
  283    H    TRP  38           HN       TRP  38   4.681  -8.478   6.456
  284    HA   TRP  38           HA       TRP  38   2.895 -10.158   5.091
  285   1HB   TRP  38           HB2      TRP  38   5.189 -10.468   6.755
  286   2HB   TRP  38           HB1      TRP  38   3.975 -11.620   7.300
  287    HD1  TRP  38           HD1      TRP  38   6.041 -10.643   4.245
  288    HE1  TRP  38           HE1      TRP  38   5.978 -12.564   2.528
  289    HE3  TRP  38           HE3      TRP  38   2.591 -13.708   6.455
  290    HZ2  TRP  38           HZ2      TRP  38   4.646 -15.059   2.139
  291    HZ3  TRP  38           HZ3      TRP  38   1.946 -15.845   5.383
  292    HH2  TRP  38           HH2      TRP  38   2.970 -16.524   3.229
  293    H    GLY  39           HN       GLY  39   2.318 -12.105   7.306
  294   1HA   GLY  39           HA2      GLY  39   0.553 -12.557   8.794
  295   2HA   GLY  39           HA1      GLY  39   0.441 -10.816   9.095
  296    H    LYS  40           HN       LYS  40   0.192 -12.653   6.069
  297    HA   LYS  40           HA       LYS  40  -1.326 -12.330   4.305
  298   1HB   LYS  40           HB2      LYS  40  -3.720 -12.879   5.070
  299   2HB   LYS  40           HB1      LYS  40  -2.490 -14.106   5.349
  300   1HG   LYS  40           HG2      LYS  40  -2.225 -13.144   7.687
  301   2HG   LYS  40           HG1      LYS  40  -3.671 -12.189   7.370
  302   1HD   LYS  40           HD2      LYS  40  -3.378 -15.165   7.666
  303   2HD   LYS  40           HD1      LYS  40  -4.563 -14.089   8.400
  304   1HE   LYS  40           HE2      LYS  40  -4.461 -14.791   5.449
  305   2HE   LYS  40           HE1      LYS  40  -5.555 -15.523   6.622
  306   1HZ   LYS  40           HZ2      LYS  40  -5.600 -12.665   6.717
  307   2HZ   LYS  40           HZ1      LYS  40  -6.027 -13.259   5.184
  308   3HZ   LYS  40           HZ3      LYS  40  -6.886 -13.764   6.556
  309    H    VAL  41           HN       VAL  41  -0.535  -9.887   5.709
  310    HA   VAL  41           HA       VAL  41  -3.015  -8.279   5.736
  311    HB   VAL  41           HB       VAL  41  -0.130  -7.559   6.315
  312   1HG1  VAL  41          HG13      VAL  41  -1.928  -5.788   5.362
  313   2HG1  VAL  41          HG12      VAL  41  -2.378  -5.763   7.067
  314   3HG1  VAL  41          HG11      VAL  41  -0.731  -5.359   6.584
  315   1HG2  VAL  41          HG23      VAL  41  -2.233  -8.745   7.856
  316   2HG2  VAL  41          HG22      VAL  41  -0.611  -8.301   8.384
  317   3HG2  VAL  41          HG21      VAL  41  -1.923  -7.127   8.486
  318    H    SER  42           HN       SER  42  -0.132  -6.706   4.567
  319    HA   SER  42           HA       SER  42  -0.643  -7.109   1.731
  320   1HB   SER  42           HB2      SER  42  -1.432  -4.378   2.716
  321   2HB   SER  42           HB1      SER  42  -1.782  -5.128   1.163
  322    HG   SER  42           HG       SER  42  -3.629  -5.432   2.205
  323    H    CYS  43           HN       CYS  43   0.319  -4.854   0.603
  324    HA   CYS  43           HA       CYS  43   3.121  -4.817   1.409
  325   1HB   CYS  43           HB2      CYS  43   1.523  -3.910  -0.857
  326   2HB   CYS  43           HB1      CYS  43   2.678  -2.681  -0.362
  327    OH   TYR  44           OH       TYR  44   2.921   3.237   7.661
  328    H    TYR  44           HN       TYR  44   4.174  -2.511   1.599
  329    HA   TYR  44           HA       TYR  44   2.422  -0.519   2.889
  330   1HB   TYR  44           HB2      TYR  44   3.113  -2.136   4.710
  331   2HB   TYR  44           HB1      TYR  44   4.780  -1.641   4.431
  332    HD1  TYR  44           HD1      TYR  44   5.364   0.846   4.655
  333    HD2  TYR  44           HD2      TYR  44   1.648  -0.812   6.015
  334    HE1  TYR  44           HE1      TYR  44   5.009   2.824   6.096
  335    HE2  TYR  44           HE2      TYR  44   1.284   1.170   7.445
  336    HH   TYR  44           HH       TYR  44   2.239   3.022   8.300
  337    H    CYS  45           HN       CYS  45   3.124   1.477   2.255
  338    HA   CYS  45           HA       CYS  45   5.904   1.652   1.181
  339   1HB   CYS  45           HB2      CYS  45   3.492   3.405   0.650
  340   2HB   CYS  45           HB1      CYS  45   5.095   3.672  -0.025
  341    OH   TYR  46           OH       TYR  46   6.832   0.760   7.875
  342    H    TYR  46           HN       TYR  46   6.759   3.972   1.337
  343    HA   TYR  46           HA       TYR  46   6.074   5.369   3.860
  344   1HB   TYR  46           HB2      TYR  46   8.766   4.177   3.184
  345   2HB   TYR  46           HB1      TYR  46   8.584   5.467   4.363
  346    HD1  TYR  46           HD1      TYR  46   7.878   1.941   3.600
  347    HD2  TYR  46           HD2      TYR  46   7.550   5.044   6.523
  348    HE1  TYR  46           HE1      TYR  46   7.340   0.247   5.330
  349    HE2  TYR  46           HE2      TYR  46   7.000   3.369   8.261
  350    HH   TYR  46           HH       TYR  46   6.251   1.173   8.519
  351    H    GLY  47           HN       GLY  47   5.556   7.282   2.749
  352   1HA   GLY  47           HA2      GLY  47   6.901   9.374   2.096
  353   2HA   GLY  47           HA1      GLY  47   7.633   8.341   0.871
  354    H    LEU  48           HN       LEU  48   4.283   7.836   1.578
  355    HA   LEU  48           HA       LEU  48   3.552   8.584  -1.153
  356   1HB   LEU  48           HB2      LEU  48   1.862   7.670   1.195
  357   2HB   LEU  48           HB1      LEU  48   1.303   7.801  -0.473
  358    HG   LEU  48           HG       LEU  48   3.443   5.953   0.604
  359   1HD1  LEU  48          HD13      LEU  48   0.802   5.464  -0.807
  360   2HD1  LEU  48          HD12      LEU  48   1.932   4.215  -0.288
  361   3HD1  LEU  48          HD11      LEU  48   1.113   5.214   0.911
  362   1HD2  LEU  48          HD21      LEU  48   2.655   6.652  -2.236
  363   2HD2  LEU  48          HD23      LEU  48   4.259   6.746  -1.510
  364   3HD2  LEU  48          HD22      LEU  48   3.524   5.174  -1.824
  365    HA   PRO  49           HA       PRO  49   2.141  12.670  -0.555
  366   1HB   PRO  49           HB2      PRO  49  -0.499  12.201  -1.662
  367   2HB   PRO  49           HB1      PRO  49   0.877  13.016  -2.418
  368   1HG   PRO  49           HG2      PRO  49  -0.155  10.416  -3.052
  369   2HG   PRO  49           HG1      PRO  49   1.278  11.198  -3.733
  370   1HD   PRO  49           HD2      PRO  49   1.181   8.976  -1.894
  371   2HD   PRO  49           HD1      PRO  49   2.614   9.750  -2.596
  372    H    ASP  50           HN       ASP  50   0.749  13.882   0.895
  373    HA   ASP  50           HA       ASP  50  -0.131  12.536   3.198
  374   1HB   ASP  50           HB2      ASP  50  -0.218  15.248   2.133
  375   2HB   ASP  50           HB1      ASP  50  -1.579  14.868   3.176
  376    H    ASN  51           HN       ASN  51  -2.047  13.911   0.582
  377    HA   ASN  51           HA       ASN  51  -4.503  12.769   1.561
  378   1HB   ASN  51           HB2      ASN  51  -5.472  13.824  -0.395
  379   2HB   ASN  51           HB1      ASN  51  -4.372  14.952   0.377
  380   1HD2  ASN  51          HD22      ASN  51  -3.384  15.178  -3.125
  381   2HD2  ASN  51          HD21      ASN  51  -4.588  15.758  -2.079
  382    H    SER  52           HN       SER  52  -2.024  11.171   0.368
  383    HA   SER  52           HA       SER  52  -2.864   9.843  -1.974
  384   1HB   SER  52           HB2      SER  52  -0.737   9.167  -1.486
  385   2HB   SER  52           HB1      SER  52  -1.007   9.244   0.251
  386    HG   SER  52           HG       SER  52  -1.867   7.232  -1.556
  387    HA   PRO  53           HA       PRO  53  -6.509   7.754  -0.544
  388   1HB   PRO  53           HB2      PRO  53  -6.378   5.893  -2.713
  389   2HB   PRO  53           HB1      PRO  53  -7.382   7.343  -2.598
  390   1HG   PRO  53           HG2      PRO  53  -5.043   6.923  -4.252
  391   2HG   PRO  53           HG1      PRO  53  -6.096   8.342  -4.191
  392   1HD   PRO  53           HD2      PRO  53  -3.423   8.096  -3.161
  393   2HD   PRO  53           HD1      PRO  53  -4.498   9.505  -3.060
  394    H    THR  54           HN       THR  54  -6.083   6.479   1.251
  395    HA   THR  54           HA       THR  54  -4.625   3.918   0.754
  396    HB   THR  54           HB       THR  54  -3.815   4.029   3.063
  397    HG1  THR  54           HG1      THR  54  -4.247   6.407   3.850
  398   1HG2  THR  54          HG23      THR  54  -3.277   6.110   1.047
  399   2HG2  THR  54          HG22      THR  54  -2.726   6.500   2.676
  400   3HG2  THR  54          HG21      THR  54  -2.157   5.032   1.879
  401    H    LYS  55           HN       LYS  55  -5.197   2.301   2.580
  402    HA   LYS  55           HA       LYS  55  -7.818   1.447   2.334
  403   1HB   LYS  55           HB2      LYS  55  -5.860   0.166   3.292
  404   2HB   LYS  55           HB1      LYS  55  -6.131   1.025   4.808
  405   1HG   LYS  55           HG2      LYS  55  -7.412  -0.873   5.174
  406   2HG   LYS  55           HG1      LYS  55  -8.618   0.192   4.454
  407   1HD   LYS  55           HD2      LYS  55  -7.145  -1.167   2.377
  408   2HD   LYS  55           HD1      LYS  55  -7.813  -2.342   3.512
  409   1HE   LYS  55           HE2      LYS  55 -10.018  -1.058   3.317
  410   2HE   LYS  55           HE1      LYS  55  -9.297  -0.228   1.940
  411   1HZ   LYS  55           HZ3      LYS  55  -8.824  -2.491   1.014
  412   2HZ   LYS  55           HZ2      LYS  55  -9.810  -3.131   2.243
  413   3HZ   LYS  55           HZ1      LYS  55 -10.467  -2.071   1.086
  414    H    THR  56           HN       THR  56  -9.724   1.755   3.456
  415    HA   THR  56           HA       THR  56  -9.810   4.117   5.250
  416    HB   THR  56           HB       THR  56 -11.988   2.563   3.834
  417    HG1  THR  56           HG1      THR  56 -12.097   4.362   2.568
  418   1HG2  THR  56          HG23      THR  56 -12.543   3.574   6.149
  419   2HG2  THR  56          HG22      THR  56 -12.359   5.140   5.358
  420   3HG2  THR  56          HG21      THR  56 -13.590   4.006   4.799
  421    H    SER  57           HN       SER  57 -11.864   1.271   5.232
  422    HA   SER  57           HA       SER  57 -11.198   0.869   8.073
  423   1HB   SER  57           HB2      SER  57 -13.568  -0.460   7.745
  424   2HB   SER  57           HB1      SER  57 -13.433   1.183   8.364
  425    HG   SER  57           HG       SER  57 -14.827   1.237   6.642
  426    H    GLY  58           HN       GLY  58  -9.957  -0.188   5.641
  427   1HA   GLY  58           HA2      GLY  58  -8.869  -2.205   5.097
  428   2HA   GLY  58           HA1      GLY  58  -9.608  -2.921   6.526
  429    H    LYS  59           HN       LYS  59 -12.221  -1.729   4.974
  430    HA   LYS  59           HA       LYS  59 -12.736  -4.358   3.715
  431   1HB   LYS  59           HB2      LYS  59 -14.360  -2.310   5.002
  432   2HB   LYS  59           HB1      LYS  59 -15.042  -2.812   3.455
  433   1HG   LYS  59           HG2      LYS  59 -14.682  -5.218   4.216
  434   2HG   LYS  59           HG1      LYS  59 -14.343  -4.565   5.820
  435   1HD   LYS  59           HD2      LYS  59 -16.834  -3.647   4.448
  436   2HD   LYS  59           HD1      LYS  59 -16.812  -5.284   5.104
  437   1HE   LYS  59           HE2      LYS  59 -16.220  -4.448   7.310
  438   2HE   LYS  59           HE1      LYS  59 -16.069  -2.806   6.684
  439   1HZ   LYS  59           HZ2      LYS  59 -18.569  -3.706   5.921
  440   2HZ   LYS  59           HZ1      LYS  59 -18.390  -4.171   7.546
  441   3HZ   LYS  59           HZ3      LYS  59 -18.212  -2.543   7.106
  442    H    CYS  60           HN       CYS  60 -12.693  -4.631   1.549
  443    HA   CYS  60           HA       CYS  60 -12.574  -2.186  -0.169
  444   1HB   CYS  60           HB2      CYS  60 -10.657  -3.911  -0.180
  445   2HB   CYS  60           HB1      CYS  60 -11.790  -4.985  -1.001
  446    H    ASN  61           HN       ASN  61 -14.398  -1.783  -1.334
  447    HA   ASN  61           HA       ASN  61 -16.044  -4.108  -2.211
  448   1HB   ASN  61           HB2      ASN  61 -16.759  -2.405  -0.107
  449   2HB   ASN  61           HB1      ASN  61 -17.686  -1.819  -1.487
  450   1HD2  ASN  61          HD22      ASN  61 -19.917  -4.395  -0.292
  451   2HD2  ASN  61          HD21      ASN  61 -19.542  -2.753  -0.081
  452    HA   PRO  62           HA       PRO  62 -16.176  -2.062  -6.082
  453   1HB   PRO  62           HB2      PRO  62 -18.857  -2.868  -6.683
  454   2HB   PRO  62           HB1      PRO  62 -17.357  -3.650  -7.201
  455   1HG   PRO  62           HG2      PRO  62 -19.262  -4.587  -5.231
  456   2HG   PRO  62           HG1      PRO  62 -17.800  -5.396  -5.806
  457   1HD   PRO  62           HD2      PRO  62 -18.218  -4.139  -3.254
  458   2HD   PRO  62           HD1      PRO  62 -16.741  -4.920  -3.851
  459    H    ALA  63           HN       ALA  63 -16.375   0.162  -5.986
  460    HA   ALA  63           HA       ALA  63 -17.342   2.275  -5.547
  461   1HB   ALA  63           HB1      ALA  63 -18.476   1.376  -7.668
  462   2HB   ALA  63           HB3      ALA  63 -19.844   0.969  -6.631
  463   3HB   ALA  63           HB2      ALA  63 -19.335   2.649  -6.800
   
  Start of MODEL          17
 Raw file had  463 H/Q atoms
  Start of MODEL   17
    1   1H    LYS   1           HT3      LYS   1   4.560  14.410   2.900
    2   2H    LYS   1           HT2      LYS   1   5.341  14.700   1.418
    3   3H    LYS   1           HT1      LYS   1   3.666  14.406   1.459
    4    HA   LYS   1           HA       LYS   1   4.333  12.345   0.850
    5   1HB   LYS   1           HB2      LYS   1   6.870  13.116   2.289
    6   2HB   LYS   1           HB1      LYS   1   6.562  11.433   1.857
    7   1HG   LYS   1           HG2      LYS   1   6.748  11.830  -0.401
    8   2HG   LYS   1           HG1      LYS   1   6.123  13.475  -0.270
    9   1HD   LYS   1           HD2      LYS   1   8.875  12.569   0.636
   10   2HD   LYS   1           HD1      LYS   1   8.533  13.475  -0.839
   11   1HE   LYS   1           HE2      LYS   1   7.272  14.836   1.332
   12   2HE   LYS   1           HE1      LYS   1   8.938  14.495   1.801
   13   1HZ   LYS   1           HZ2      LYS   1   8.733  15.373  -0.909
   14   2HZ   LYS   1           HZ1      LYS   1   8.106  16.522   0.175
   15   3HZ   LYS   1           HZ3      LYS   1   9.701  15.975   0.352
   16    H    LYS   2           HN       LYS   2   4.330  10.202   2.047
   17    HA   LYS   2           HA       LYS   2   4.167  10.148   4.920
   18   1HB   LYS   2           HB2      LYS   2   1.766   9.840   5.187
   19   2HB   LYS   2           HB1      LYS   2   2.061  11.385   4.390
   20   1HG   LYS   2           HG2      LYS   2   0.499  10.604   2.914
   21   2HG   LYS   2           HG1      LYS   2   1.891   9.772   2.220
   22   1HD   LYS   2           HD2      LYS   2   1.387   7.762   3.507
   23   2HD   LYS   2           HD1      LYS   2   0.062   8.586   4.331
   24   1HE   LYS   2           HE2      LYS   2   0.235   8.004   1.360
   25   2HE   LYS   2           HE1      LYS   2  -0.829   7.206   2.517
   26   1HZ   LYS   2           HZ3      LYS   2  -1.693   9.521   3.010
   27   2HZ   LYS   2           HZ2      LYS   2  -0.904  10.011   1.588
   28   3HZ   LYS   2           HZ1      LYS   2  -2.135   8.844   1.519
   29    H    ASP   3           HN       ASP   3   3.679   7.990   5.718
   30    HA   ASP   3           HA       ASP   3   4.100   5.882   3.654
   31   1HB   ASP   3           HB2      ASP   3   4.080   5.364   6.605
   32   2HB   ASP   3           HB1      ASP   3   5.056   4.601   5.351
   33    H    GLY   4           HN       GLY   4   2.609   3.995   3.688
   34   1HA   GLY   4           HA2      GLY   4   0.467   3.645   5.474
   35   2HA   GLY   4           HA1      GLY   4  -0.123   4.768   4.254
   36    OH   TYR   5           OH       TYR   5   0.241  -2.477   7.343
   37    H    TYR   5           HN       TYR   5  -1.664   2.994   3.878
   38    HA   TYR   5           HA       TYR   5  -0.544   0.765   2.241
   39   1HB   TYR   5           HB2      TYR   5  -3.165   1.104   3.721
   40   2HB   TYR   5           HB1      TYR   5  -2.884  -0.205   2.575
   41    HD1  TYR   5           HD2      TYR   5  -0.546  -1.485   2.964
   42    HD2  TYR   5           HD1      TYR   5  -2.720   0.691   5.953
   43    HE1  TYR   5           HE2      TYR   5   0.610  -2.772   4.741
   44    HE2  TYR   5           HE1      TYR   5  -1.565  -0.590   7.730
   45    HH   TYR   5           HH       TYR   5  -0.407  -2.701   8.015
   46    HA   PRO   6           HA       PRO   6  -2.170   3.569  -0.977
   47   1HB   PRO   6           HB2      PRO   6  -0.812   1.864  -2.863
   48   2HB   PRO   6           HB1      PRO   6  -0.401   3.518  -2.388
   49   1HG   PRO   6           HG2      PRO   6   0.985   1.091  -1.671
   50   2HG   PRO   6           HG1      PRO   6   1.381   2.745  -1.196
   51   1HD   PRO   6           HD2      PRO   6   0.270   0.672   0.466
   52   2HD   PRO   6           HD1      PRO   6   0.641   2.344   0.916
   53    H    VAL   7           HN       VAL   7  -4.257   3.163  -1.600
   54    HA   VAL   7           HA       VAL   7  -4.994   0.358  -2.361
   55    HB   VAL   7           HB       VAL   7  -7.221   0.823  -1.660
   56   1HG1  VAL   7          HG11      VAL   7  -5.164   1.977   0.239
   57   2HG1  VAL   7          HG13      VAL   7  -6.840   1.685   0.704
   58   3HG1  VAL   7          HG12      VAL   7  -5.812   0.336   0.221
   59   1HG2  VAL   7          HG21      VAL   7  -6.290   3.703  -1.458
   60   2HG2  VAL   7          HG23      VAL   7  -7.493   3.055  -2.572
   61   3HG2  VAL   7          HG22      VAL   7  -7.838   3.123  -0.844
   62    H    ASP   8           HN       ASP   8  -6.247   0.039  -4.256
   63    HA   ASP   8           HA       ASP   8  -5.752   2.008  -6.361
   64   1HB   ASP   8           HB2      ASP   8  -7.039   0.321  -7.769
   65   2HB   ASP   8           HB1      ASP   8  -5.588  -0.300  -6.989
   66    H    SER   9           HN       SER   9  -8.089   1.822  -7.908
   67    HA   SER   9           HA       SER   9  -9.733   3.832  -6.666
   68   1HB   SER   9           HB2      SER   9 -11.264   2.787  -8.725
   69   2HB   SER   9           HB1      SER   9 -10.098   4.100  -8.882
   70    HG   SER   9           HG       SER   9  -9.760   2.305 -10.337
   71    H    GLY  10           HN       GLY  10  -9.662   0.448  -6.352
   72   1HA   GLY  10           HA2      GLY  10 -12.531   0.236  -5.668
   73   2HA   GLY  10           HA1      GLY  10 -11.382  -1.100  -5.721
   74    H    ASN  11           HN       ASN  11  -9.761   1.233  -4.078
   75    HA   ASN  11           HA       ASN  11  -9.436   1.701  -1.797
   76   1HB   ASN  11           HB2      ASN  11 -12.246   1.130  -1.948
   77   2HB   ASN  11           HB1      ASN  11 -11.591   0.337  -0.527
   78   1HD2  ASN  11          HD22      ASN  11 -10.765   3.369   1.124
   79   2HD2  ASN  11          HD21      ASN  11 -10.429   1.709   1.017
   80    H    CYS  12           HN       CYS  12  -8.613  -0.643  -3.236
   81    HA   CYS  12           HA       CYS  12  -8.453  -2.638  -1.042
   82   1HB   CYS  12           HB2      CYS  12  -8.100  -2.968  -4.035
   83   2HB   CYS  12           HB1      CYS  12  -7.953  -4.252  -2.846
   84    H    LYS  13           HN       LYS  13  -6.554  -2.311   0.031
   85    HA   LYS  13           HA       LYS  13  -4.262  -1.022  -1.098
   86   1HB   LYS  13           HB2      LYS  13  -4.256  -0.970   1.229
   87   2HB   LYS  13           HB1      LYS  13  -4.804  -2.637   1.371
   88   1HG   LYS  13           HG2      LYS  13  -2.476  -2.514   2.060
   89   2HG   LYS  13           HG1      LYS  13  -2.566  -3.392   0.534
   90   1HD   LYS  13           HD2      LYS  13  -2.278  -0.874  -0.404
   91   2HD   LYS  13           HD1      LYS  13  -1.404  -0.724   1.119
   92   1HE   LYS  13           HE2      LYS  13  -0.101  -2.783   0.500
   93   2HE   LYS  13           HE1      LYS  13  -0.889  -2.750  -1.075
   94   1HZ   LYS  13           HZ3      LYS  13  -0.047  -0.301  -1.057
   95   2HZ   LYS  13           HZ2      LYS  13   1.090  -0.908   0.052
   96   3HZ   LYS  13           HZ1      LYS  13   0.989  -1.561  -1.512
   97    OH   TYR  14           OH       TYR  14  -2.727   1.020  -6.802
   98    H    TYR  14           HN       TYR  14  -2.484  -1.884  -2.161
   99    HA   TYR  14           HA       TYR  14  -2.777  -4.336  -3.569
  100   1HB   TYR  14           HB2      TYR  14  -0.166  -2.951  -2.882
  101   2HB   TYR  14           HB1      TYR  14  -0.457  -4.058  -4.226
  102    HD1  TYR  14           HD2      TYR  14  -3.167  -3.174  -5.078
  103    HD2  TYR  14           HD1      TYR  14   0.302  -0.887  -3.987
  104    HE1  TYR  14           HE2      TYR  14  -3.963  -1.292  -6.481
  105    HE2  TYR  14           HE1      TYR  14  -0.499   0.996  -5.390
  106    HH   TYR  14           HH       TYR  14  -3.066   1.701  -6.214
  107    H    GLU  15           HN       GLU  15  -1.598  -6.363  -3.297
  108    HA   GLU  15           HA       GLU  15  -1.441  -7.149  -0.461
  109   1HB   GLU  15           HB2      GLU  15  -0.877  -8.872  -2.876
  110   2HB   GLU  15           HB1      GLU  15  -1.389  -9.387  -1.269
  111   1HG   GLU  15           HG2      GLU  15  -3.511  -9.332  -2.040
  112   2HG   GLU  15           HG1      GLU  15  -3.357  -7.575  -2.084
  113    H    CYS  16           HN       CYS  16   0.474  -8.852  -0.054
  114    HA   CYS  16           HA       CYS  16   2.969  -8.159  -1.390
  115   1HB   CYS  16           HB2      CYS  16   4.069  -7.024   0.320
  116   2HB   CYS  16           HB1      CYS  16   2.464  -6.306   0.351
  117    H    LEU  17           HN       LEU  17   4.293  -9.878  -1.339
  118    HA   LEU  17           HA       LEU  17   4.001 -11.850   0.885
  119   1HB   LEU  17           HB2      LEU  17   4.518 -12.574  -2.015
  120   2HB   LEU  17           HB1      LEU  17   4.209 -13.681  -0.676
  121    HG   LEU  17           HG       LEU  17   2.249 -11.622  -1.726
  122   1HD1  LEU  17          HD13      LEU  17   2.928 -14.222  -2.687
  123   2HD1  LEU  17          HD12      LEU  17   1.346 -14.337  -1.919
  124   3HD1  LEU  17          HD11      LEU  17   1.610 -13.180  -3.223
  125   1HD2  LEU  17          HD22      LEU  17   2.331 -13.436   0.631
  126   2HD2  LEU  17          HD21      LEU  17   1.502 -11.892   0.430
  127   3HD2  LEU  17          HD23      LEU  17   0.800 -13.363  -0.243
  128    H    LYS  18           HN       LYS  18   5.969  -9.681  -0.610
  129    HA   LYS  18           HA       LYS  18   8.390 -10.927   0.514
  130   1HB   LYS  18           HB2      LYS  18   7.913 -10.474  -2.415
  131   2HB   LYS  18           HB1      LYS  18   9.537 -10.234  -1.771
  132   1HG   LYS  18           HG2      LYS  18   8.508 -12.666  -0.679
  133   2HG   LYS  18           HG1      LYS  18   8.249 -12.697  -2.423
  134   1HD   LYS  18           HD2      LYS  18  10.899 -11.928  -1.182
  135   2HD   LYS  18           HD1      LYS  18  10.508 -13.584  -1.644
  136   1HE   LYS  18           HE2      LYS  18  10.068 -12.817  -3.962
  137   2HE   LYS  18           HE1      LYS  18  10.517 -11.178  -3.493
  138   1HZ   LYS  18           HZ3      LYS  18  12.302 -13.539  -3.251
  139   2HZ   LYS  18           HZ2      LYS  18  12.341 -12.436  -4.541
  140   3HZ   LYS  18           HZ1      LYS  18  12.717 -11.919  -2.968
  141    H    ASP  19           HN       ASP  19   9.801  -9.319   1.242
  142    HA   ASP  19           HA       ASP  19   8.813  -6.657   1.500
  143   1HB   ASP  19           HB2      ASP  19  10.693  -7.988   2.813
  144   2HB   ASP  19           HB1      ASP  19  11.754  -7.172   1.663
  145    H    ASP  20           HN       ASP  20  10.741  -8.158  -1.016
  146    HA   ASP  20           HA       ASP  20  11.673  -5.641  -2.152
  147   1HB   ASP  20           HB2      ASP  20  12.995  -7.056  -3.310
  148   2HB   ASP  20           HB1      ASP  20  12.188  -8.410  -2.537
  149    OH   TYR  21           OH       TYR  21   1.782  -6.198  -6.429
  150    H    TYR  21           HN       TYR  21   8.806  -7.631  -2.443
  151    HA   TYR  21           HA       TYR  21   7.865  -6.454  -4.912
  152   1HB   TYR  21           HB2      TYR  21   6.944  -8.585  -4.125
  153   2HB   TYR  21           HB1      TYR  21   6.346  -7.808  -2.659
  154    HD1  TYR  21           HD1      TYR  21   6.327  -6.349  -6.078
  155    HD2  TYR  21           HD2      TYR  21   3.994  -8.114  -2.936
  156    HE1  TYR  21           HE1      TYR  21   4.245  -5.710  -7.266
  157    HE2  TYR  21           HE2      TYR  21   1.910  -7.479  -4.120
  158    HH   TYR  21           HH       TYR  21   1.037  -6.534  -5.924
  159    H    CYS  22           HN       CYS  22   7.690  -5.598  -1.513
  160    HA   CYS  22           HA       CYS  22   5.710  -3.497  -1.942
  161   1HB   CYS  22           HB2      CYS  22   7.522  -4.155   0.389
  162   2HB   CYS  22           HB1      CYS  22   6.403  -2.795   0.395
  163    H    ASN  23           HN       ASN  23   9.212  -3.495  -1.191
  164    HA   ASN  23           HA       ASN  23   9.626  -0.703  -1.389
  165   1HB   ASN  23           HB2      ASN  23  11.332  -2.482  -0.769
  166   2HB   ASN  23           HB1      ASN  23  11.497  -2.844  -2.471
  167   1HD2  ASN  23          HD22      ASN  23  13.442  -0.005  -3.189
  168   2HD2  ASN  23          HD21      ASN  23  12.643  -1.381  -3.779
  169    H    ASP  24           HN       ASP  24   9.712  -3.180  -3.883
  170    HA   ASP  24           HA       ASP  24  10.367  -1.496  -6.089
  171   1HB   ASP  24           HB2      ASP  24  10.362  -4.021  -6.073
  172   2HB   ASP  24           HB1      ASP  24   8.610  -3.964  -6.198
  173    H    LEU  25           HN       LEU  25   7.139  -2.961  -5.719
  174    HA   LEU  25           HA       LEU  25   5.731  -1.234  -7.380
  175   1HB   LEU  25           HB2      LEU  25   4.567  -3.118  -6.551
  176   2HB   LEU  25           HB1      LEU  25   4.941  -2.723  -4.878
  177    HG   LEU  25           HG       LEU  25   3.481  -0.537  -6.048
  178   1HD1  LEU  25          HD11      LEU  25   2.784  -2.707  -7.448
  179   2HD1  LEU  25          HD13      LEU  25   1.800  -3.012  -6.018
  180   3HD1  LEU  25          HD12      LEU  25   1.580  -1.523  -6.938
  181   1HD2  LEU  25          HD23      LEU  25   3.584  -2.165  -3.675
  182   2HD2  LEU  25          HD22      LEU  25   2.835  -0.582  -3.881
  183   3HD2  LEU  25          HD21      LEU  25   1.908  -2.045  -4.211
  184    H    CYS  26           HN       CYS  26   6.512  -0.786  -3.986
  185    HA   CYS  26           HA       CYS  26   5.136   1.570  -3.387
  186   1HB   CYS  26           HB2      CYS  26   7.682   0.297  -2.440
  187   2HB   CYS  26           HB1      CYS  26   7.254   1.874  -1.849
  188    H    LEU  27           HN       LEU  27   8.334   1.081  -4.785
  189    HA   LEU  27           HA       LEU  27   9.015   3.828  -4.966
  190   1HB   LEU  27           HB2      LEU  27  11.018   3.002  -5.573
  191   2HB   LEU  27           HB1      LEU  27  10.314   1.405  -5.346
  192    HG   LEU  27           HG       LEU  27   9.446   1.817  -7.809
  193   1HD1  LEU  27          HD13      LEU  27  10.909   4.133  -7.418
  194   2HD1  LEU  27          HD12      LEU  27  12.029   3.101  -8.307
  195   3HD1  LEU  27          HD11      LEU  27  10.444   3.474  -8.986
  196   1HD2  LEU  27          HD22      LEU  27  11.882   0.684  -6.639
  197   2HD2  LEU  27          HD21      LEU  27  10.774  -0.020  -7.818
  198   3HD2  LEU  27          HD23      LEU  27  12.052   1.073  -8.351
  199    H    GLU  28           HN       GLU  28   7.397   1.616  -7.191
  200    HA   GLU  28           HA       GLU  28   7.425   3.284  -9.464
  201   1HB   GLU  28           HB2      GLU  28   5.376   1.258  -8.546
  202   2HB   GLU  28           HB1      GLU  28   5.358   2.014 -10.140
  203   1HG   GLU  28           HG2      GLU  28   7.726   1.170 -10.459
  204   2HG   GLU  28           HG1      GLU  28   7.516   0.233  -8.978
  205    NH1  ARG  29           NH2      ARG  29  -0.596   4.977  -6.813
  206    NH2  ARG  29           NH1      ARG  29  -0.731   3.758  -8.708
  207    H    ARG  29           HN       ARG  29   5.462   3.303  -6.602
  208    HA   ARG  29           HA       ARG  29   3.522   5.173  -7.617
  209   1HB   ARG  29           HB2      ARG  29   3.738   3.559  -5.347
  210   2HB   ARG  29           HB1      ARG  29   3.779   5.213  -4.734
  211   1HG   ARG  29           HG2      ARG  29   1.548   5.317  -4.998
  212   2HG   ARG  29           HG1      ARG  29   1.788   5.170  -6.740
  213   1HD   ARG  29           HD2      ARG  29   2.122   2.579  -5.658
  214   2HD   ARG  29           HD1      ARG  29   0.674   3.241  -4.906
  215    HE   ARG  29           HE       ARG  29   0.824   2.261  -7.554
  216   1HH1  ARG  29          HH21      ARG  29  -0.247   5.105  -5.886
  217   2HH1  ARG  29          HH22      ARG  29  -1.238   5.639  -7.198
  218   1HH2  ARG  29          HH11      ARG  29  -0.477   2.948  -9.238
  219   2HH2  ARG  29          HH12      ARG  29  -1.376   4.420  -9.086
  220    H    LYS  30           HN       LYS  30   6.507   5.363  -5.882
  221    HA   LYS  30           HA       LYS  30   7.858   7.471  -6.384
  222   1HB   LYS  30           HB2      LYS  30   6.923   9.601  -5.693
  223   2HB   LYS  30           HB1      LYS  30   5.823   8.858  -6.848
  224   1HG   LYS  30           HG2      LYS  30   4.194   9.123  -5.305
  225   2HG   LYS  30           HG1      LYS  30   4.998   7.873  -4.355
  226   1HD   LYS  30           HD2      LYS  30   4.827   9.729  -2.878
  227   2HD   LYS  30           HD1      LYS  30   6.496   9.769  -3.447
  228   1HE   LYS  30           HE2      LYS  30   4.847  11.212  -5.308
  229   2HE   LYS  30           HE1      LYS  30   4.532  11.815  -3.681
  230   1HZ   LYS  30           HZ1      LYS  30   7.281  11.410  -4.692
  231   2HZ   LYS  30           HZ3      LYS  30   6.438  12.858  -4.951
  232   3HZ   LYS  30           HZ2      LYS  30   6.769  12.343  -3.367
  233    H    ALA  31           HN       ALA  31   6.633   5.571  -4.032
  234    HA   ALA  31           HA       ALA  31   7.400   7.004  -1.647
  235   1HB   ALA  31           HB1      ALA  31   5.847   5.057  -1.636
  236   2HB   ALA  31           HB3      ALA  31   7.199   4.012  -2.076
  237   3HB   ALA  31           HB2      ALA  31   7.200   4.848  -0.524
  238    H    ASP  32           HN       ASP  32   9.306   6.796  -0.439
  239    HA   ASP  32           HA       ASP  32  11.718   6.378  -1.931
  240   1HB   ASP  32           HB2      ASP  32  11.171   7.891   0.174
  241   2HB   ASP  32           HB1      ASP  32  11.672   6.454   1.052
  242    H    LYS  33           HN       LYS  33  10.157   4.697   0.789
  243    HA   LYS  33           HA       LYS  33  11.449   2.174  -0.133
  244   1HB   LYS  33           HB2      LYS  33  11.345   2.351   2.790
  245   2HB   LYS  33           HB1      LYS  33  12.658   1.813   1.750
  246   1HG   LYS  33           HG2      LYS  33  13.749   3.743   2.108
  247   2HG   LYS  33           HG1      LYS  33  12.395   4.668   1.481
  248   1HD   LYS  33           HD2      LYS  33  12.793   5.389   3.752
  249   2HD   LYS  33           HD1      LYS  33  11.296   4.457   3.735
  250   1HE   LYS  33           HE2      LYS  33  12.157   2.950   5.168
  251   2HE   LYS  33           HE1      LYS  33  13.552   2.694   4.121
  252   1HZ   LYS  33           HZ3      LYS  33  13.736   5.209   5.401
  253   2HZ   LYS  33           HZ2      LYS  33  13.500   3.994   6.565
  254   3HZ   LYS  33           HZ1      LYS  33  14.805   3.894   5.479
  255    H    GLY  34           HN       GLY  34  10.355   0.245   0.994
  256   1HA   GLY  34           HA2      GLY  34   7.837   0.660   2.345
  257   2HA   GLY  34           HA1      GLY  34   7.574   0.308   0.638
  258    OH   TYR  35           OH       TYR  35   5.724  -1.218   8.791
  259    H    TYR  35           HN       TYR  35   7.382  -1.226   3.426
  260    HA   TYR  35           HA       TYR  35   8.714  -3.674   2.357
  261   1HB   TYR  35           HB2      TYR  35   8.771  -4.548   4.657
  262   2HB   TYR  35           HB1      TYR  35   9.685  -3.067   4.486
  263    HD1  TYR  35           HD1      TYR  35   6.222  -2.234   4.382
  264    HD2  TYR  35           HD2      TYR  35   9.363  -3.358   7.092
  265    HE1  TYR  35           HE1      TYR  35   4.948  -1.262   6.267
  266    HE2  TYR  35           HE2      TYR  35   8.083  -2.384   8.972
  267    HH   TYR  35           HH       TYR  35   6.357  -0.870   9.426
  268    H    CYS  36           HN       CYS  36   7.608  -5.680   3.530
  269    HA   CYS  36           HA       CYS  36   4.756  -5.547   2.726
  270   1HB   CYS  36           HB2      CYS  36   5.997  -7.100   1.459
  271   2HB   CYS  36           HB1      CYS  36   6.818  -7.729   2.873
  272    OH   TYR  37           OH       TYR  37   0.772  -5.827  12.089
  273    H    TYR  37           HN       TYR  37   3.275  -5.573   4.249
  274    HA   TYR  37           HA       TYR  37   3.995  -6.456   6.976
  275   1HB   TYR  37           HB2      TYR  37   2.737  -4.295   6.502
  276   2HB   TYR  37           HB1      TYR  37   1.371  -5.284   6.006
  277    HD1  TYR  37           HD1      TYR  37   3.610  -4.414   8.821
  278    HD2  TYR  37           HD2      TYR  37   0.008  -6.434   7.639
  279    HE1  TYR  37           HE1      TYR  37   2.969  -4.662  11.201
  280    HE2  TYR  37           HE2      TYR  37  -0.633  -6.684  10.021
  281    HH   TYR  37           HH       TYR  37   1.302  -5.212  12.602
  282    CH2  TRP  38           CH2      TRP  38   4.289 -16.181   4.667
  283    H    TRP  38           HN       TRP  38   4.143  -8.672   6.602
  284    HA   TRP  38           HA       TRP  38   2.458 -10.368   5.159
  285   1HB   TRP  38           HB2      TRP  38   4.525 -10.611   7.144
  286   2HB   TRP  38           HB1      TRP  38   3.253 -11.773   7.500
  287    HD1  TRP  38           HD1      TRP  38   4.981 -10.533   4.258
  288    HE1  TRP  38           HE1      TRP  38   5.529 -12.586   2.802
  289    HE3  TRP  38           HE3      TRP  38   3.162 -14.259   7.251
  290    HZ2  TRP  38           HZ2      TRP  38   5.242 -15.426   2.890
  291    HZ3  TRP  38           HZ3      TRP  38   3.318 -16.627   6.536
  292    HH2  TRP  38           HH2      TRP  38   4.354 -17.216   4.362
  293    H    GLY  39           HN       GLY  39   1.580 -12.274   7.166
  294   1HA   GLY  39           HA2      GLY  39  -0.231 -12.687   8.620
  295   2HA   GLY  39           HA1      GLY  39  -0.370 -10.945   8.876
  296    H    LYS  40           HN       LYS  40  -0.250 -12.156   5.635
  297    HA   LYS  40           HA       LYS  40  -1.868 -12.180   3.935
  298   1HB   LYS  40           HB2      LYS  40  -2.952 -13.736   5.732
  299   2HB   LYS  40           HB1      LYS  40  -3.993 -12.352   6.068
  300   1HG   LYS  40           HG2      LYS  40  -5.263 -13.313   4.415
  301   2HG   LYS  40           HG1      LYS  40  -4.180 -12.378   3.383
  302   1HD   LYS  40           HD2      LYS  40  -2.659 -14.390   3.294
  303   2HD   LYS  40           HD1      LYS  40  -3.917 -15.301   4.131
  304   1HE   LYS  40           HE2      LYS  40  -4.166 -13.933   1.438
  305   2HE   LYS  40           HE1      LYS  40  -4.151 -15.670   1.740
  306   1HZ   LYS  40           HZ1      LYS  40  -6.185 -13.794   2.820
  307   2HZ   LYS  40           HZ3      LYS  40  -6.401 -14.751   1.435
  308   3HZ   LYS  40           HZ2      LYS  40  -6.193 -15.488   2.951
  309    H    VAL  41           HN       VAL  41  -1.109  -9.723   5.620
  310    HA   VAL  41           HA       VAL  41  -3.526  -8.067   5.410
  311    HB   VAL  41           HB       VAL  41  -0.707  -7.229   6.124
  312   1HG1  VAL  41          HG11      VAL  41  -2.769  -5.616   5.511
  313   2HG1  VAL  41          HG13      VAL  41  -3.177  -5.946   7.194
  314   3HG1  VAL  41          HG12      VAL  41  -1.622  -5.219   6.791
  315   1HG2  VAL  41          HG22      VAL  41  -2.486  -8.981   7.488
  316   2HG2  VAL  41          HG21      VAL  41  -0.970  -8.304   8.083
  317   3HG2  VAL  41          HG23      VAL  41  -2.488  -7.449   8.361
  318    H    SER  42           HN       SER  42  -0.441  -6.629   4.463
  319    HA   SER  42           HA       SER  42  -0.878  -6.846   1.615
  320   1HB   SER  42           HB2      SER  42  -2.257  -4.702   3.080
  321   2HB   SER  42           HB1      SER  42  -1.325  -4.163   1.687
  322    HG   SER  42           HG       SER  42  -3.662  -5.511   1.781
  323    H    CYS  43           HN       CYS  43   0.252  -4.649   0.597
  324    HA   CYS  43           HA       CYS  43   3.018  -4.782   1.560
  325   1HB   CYS  43           HB2      CYS  43   1.620  -3.889  -0.843
  326   2HB   CYS  43           HB1      CYS  43   2.802  -2.697  -0.317
  327    OH   TYR  44           OH       TYR  44   2.647   3.681   7.204
  328    H    TYR  44           HN       TYR  44   4.090  -2.370   1.489
  329    HA   TYR  44           HA       TYR  44   2.396  -0.300   2.638
  330   1HB   TYR  44           HB2      TYR  44   2.767  -1.849   4.581
  331   2HB   TYR  44           HB1      TYR  44   4.491  -1.505   4.468
  332    HD1  TYR  44           HD2      TYR  44   1.165  -0.106   5.169
  333    HD2  TYR  44           HD1      TYR  44   5.377   0.696   5.102
  334    HE1  TYR  44           HE2      TYR  44   0.778   1.971   6.437
  335    HE2  TYR  44           HE1      TYR  44   4.996   2.787   6.379
  336    HH   TYR  44           HH       TYR  44   1.701   3.780   7.332
  337    H    CYS  45           HN       CYS  45   3.249   1.614   2.005
  338    HA   CYS  45           HA       CYS  45   6.136   1.646   1.206
  339   1HB   CYS  45           HB2      CYS  45   3.935   3.507   0.290
  340   2HB   CYS  45           HB1      CYS  45   5.549   3.363  -0.389
  341    OH   TYR  46           OH       TYR  46   6.963   0.683   7.402
  342    H    TYR  46           HN       TYR  46   7.058   3.931   1.234
  343    HA   TYR  46           HA       TYR  46   6.195   5.576   3.552
  344   1HB   TYR  46           HB2      TYR  46   8.992   4.507   3.096
  345   2HB   TYR  46           HB1      TYR  46   8.569   5.706   4.309
  346    HD1  TYR  46           HD2      TYR  46   8.142   2.185   3.267
  347    HD2  TYR  46           HD1      TYR  46   7.541   5.069   6.374
  348    HE1  TYR  46           HE2      TYR  46   7.603   0.358   4.855
  349    HE2  TYR  46           HE1      TYR  46   7.000   3.256   7.967
  350    HH   TYR  46           HH       TYR  46   7.691   0.605   8.022
  351    H    GLY  47           HN       GLY  47   5.817   7.460   2.358
  352   1HA   GLY  47           HA2      GLY  47   7.252   9.431   1.548
  353   2HA   GLY  47           HA1      GLY  47   7.947   8.272   0.417
  354    H    LEU  48           HN       LEU  48   4.804   7.371   0.722
  355    HA   LEU  48           HA       LEU  48   4.031   8.083  -1.890
  356   1HB   LEU  48           HB2      LEU  48   2.264   7.651   0.543
  357   2HB   LEU  48           HB1      LEU  48   1.713   7.617  -1.130
  358    HG   LEU  48           HG       LEU  48   3.889   5.802  -0.064
  359   1HD1  LEU  48          HD13      LEU  48   1.281   5.687   0.734
  360   2HD1  LEU  48          HD12      LEU  48   1.226   4.692  -0.720
  361   3HD1  LEU  48          HD11      LEU  48   2.325   4.275   0.593
  362   1HD2  LEU  48          HD22      LEU  48   3.110   6.474  -2.661
  363   2HD2  LEU  48          HD21      LEU  48   4.045   5.053  -2.196
  364   3HD2  LEU  48          HD23      LEU  48   2.292   4.942  -2.356
  365    HA   PRO  49           HA       PRO  49   3.000  12.329  -1.836
  366   1HB   PRO  49           HB2      PRO  49   0.376  12.026  -2.993
  367   2HB   PRO  49           HB1      PRO  49   1.871  12.523  -3.799
  368   1HG   PRO  49           HG2      PRO  49   0.494  10.009  -4.060
  369   2HG   PRO  49           HG1      PRO  49   2.007  10.496  -4.832
  370   1HD   PRO  49           HD2      PRO  49   1.648   8.606  -2.684
  371   2HD   PRO  49           HD1      PRO  49   3.165   9.088  -3.471
  372    H    ASP  50           HN       ASP  50   1.710  13.840  -0.610
  373    HA   ASP  50           HA       ASP  50   0.590  12.897   1.783
  374   1HB   ASP  50           HB2      ASP  50   0.676  15.483   0.327
  375   2HB   ASP  50           HB1      ASP  50  -0.519  15.323   1.604
  376    H    ASN  51           HN       ASN  51  -0.978  14.017  -1.163
  377    HA   ASN  51           HA       ASN  51  -3.634  13.416  -0.223
  378   1HB   ASN  51           HB2      ASN  51  -4.240  14.006  -2.568
  379   2HB   ASN  51           HB1      ASN  51  -3.283  15.250  -1.782
  380   1HD2  ASN  51          HD22      ASN  51  -1.587  14.857  -4.991
  381   2HD2  ASN  51          HD21      ASN  51  -2.959  15.613  -4.337
  382    H    SER  52           HN       SER  52  -1.168  11.464  -1.157
  383    HA   SER  52           HA       SER  52  -2.007   9.692  -3.095
  384   1HB   SER  52           HB2      SER  52   0.103   9.538  -1.716
  385   2HB   SER  52           HB1      SER  52  -0.863   8.813  -0.434
  386    HG   SER  52           HG       SER  52  -0.961   7.018  -1.537
  387    HA   PRO  53           HA       PRO  53  -5.932   8.344  -1.439
  388   1HB   PRO  53           HB2      PRO  53  -6.206   6.460  -3.567
  389   2HB   PRO  53           HB1      PRO  53  -6.944   8.063  -3.455
  390   1HG   PRO  53           HG2      PRO  53  -4.810   7.224  -5.209
  391   2HG   PRO  53           HG1      PRO  53  -5.567   8.820  -5.102
  392   1HD   PRO  53           HD2      PRO  53  -2.948   8.013  -4.154
  393   2HD   PRO  53           HD1      PRO  53  -3.675   9.633  -4.132
  394    H    THR  54           HN       THR  54  -5.252   7.144   0.401
  395    HA   THR  54           HA       THR  54  -4.502   4.298  -0.146
  396    HB   THR  54           HB       THR  54  -3.160   4.307   1.860
  397    HG1  THR  54           HG1      THR  54  -4.254   5.562   3.250
  398   1HG2  THR  54          HG22      THR  54  -2.194   5.346  -0.223
  399   2HG2  THR  54          HG21      THR  54  -2.632   6.925   0.430
  400   3HG2  THR  54          HG23      THR  54  -1.455   5.917   1.273
  401    H    LYS  55           HN       LYS  55  -5.037   2.967   1.985
  402    HA   LYS  55           HA       LYS  55  -7.730   2.608   2.312
  403   1HB   LYS  55           HB2      LYS  55  -6.040   1.181   3.406
  404   2HB   LYS  55           HB1      LYS  55  -5.665   2.485   4.533
  405   1HG   LYS  55           HG2      LYS  55  -7.226   0.810   5.514
  406   2HG   LYS  55           HG1      LYS  55  -7.937   2.421   5.424
  407   1HD   LYS  55           HD2      LYS  55  -9.434   0.516   4.638
  408   2HD   LYS  55           HD1      LYS  55  -9.227   1.843   3.494
  409   1HE   LYS  55           HE2      LYS  55  -7.652   0.600   2.193
  410   2HE   LYS  55           HE1      LYS  55  -7.490  -0.634   3.442
  411   1HZ   LYS  55           HZ2      LYS  55 -10.039  -0.047   2.047
  412   2HZ   LYS  55           HZ1      LYS  55  -8.945  -1.242   1.530
  413   3HZ   LYS  55           HZ3      LYS  55  -9.683  -1.375   3.051
  414    H    THR  56           HN       THR  56  -9.384   3.940   2.976
  415    HA   THR  56           HA       THR  56  -9.119   5.650   5.295
  416    HB   THR  56           HB       THR  56  -9.152   6.945   2.561
  417    HG1  THR  56           HG1      THR  56  -7.397   7.474   4.688
  418   1HG2  THR  56          HG23      THR  56 -10.715   7.937   4.340
  419   2HG2  THR  56          HG22      THR  56  -9.250   8.353   5.232
  420   3HG2  THR  56          HG21      THR  56  -9.533   9.032   3.627
  421    H    SER  57           HN       SER  57 -10.947   6.506   2.458
  422    HA   SER  57           HA       SER  57 -13.412   6.339   3.964
  423   1HB   SER  57           HB2      SER  57 -14.426   7.433   2.080
  424   2HB   SER  57           HB1      SER  57 -12.850   8.176   2.334
  425    HG   SER  57           HG       SER  57 -12.034   6.954   0.654
  426    H    GLY  58           HN       GLY  58 -12.755   3.740   3.960
  427   1HA   GLY  58           HA2      GLY  58 -14.735   2.185   3.193
  428   2HA   GLY  58           HA1      GLY  58 -14.098   2.527   1.590
  429    H    LYS  59           HN       LYS  59 -14.309  -0.067   2.774
  430    HA   LYS  59           HA       LYS  59 -11.421  -0.805   2.976
  431   1HB   LYS  59           HB2      LYS  59 -13.767  -2.296   4.190
  432   2HB   LYS  59           HB1      LYS  59 -12.059  -2.685   4.386
  433   1HG   LYS  59           HG2      LYS  59 -12.075  -1.371   6.220
  434   2HG   LYS  59           HG1      LYS  59 -12.245   0.005   5.128
  435   1HD   LYS  59           HD2      LYS  59 -14.521   0.188   5.483
  436   2HD   LYS  59           HD1      LYS  59 -14.712  -1.533   5.818
  437   1HE   LYS  59           HE2      LYS  59 -14.326  -1.262   8.040
  438   2HE   LYS  59           HE1      LYS  59 -13.014  -0.115   7.765
  439   1HZ   LYS  59           HZ1      LYS  59 -15.246   1.216   6.948
  440   2HZ   LYS  59           HZ3      LYS  59 -15.777   0.381   8.323
  441   3HZ   LYS  59           HZ2      LYS  59 -14.446   1.432   8.430
  442    H    CYS  60           HN       CYS  60 -10.735  -2.387   1.522
  443    HA   CYS  60           HA       CYS  60 -11.988  -2.891  -0.881
  444   1HB   CYS  60           HB2      CYS  60  -9.667  -3.656  -0.131
  445   2HB   CYS  60           HB1      CYS  60 -10.461  -5.065   0.564
  446    H    ASN  61           HN       ASN  61 -14.155  -3.435  -1.013
  447    HA   ASN  61           HA       ASN  61 -14.905  -6.093   0.063
  448   1HB   ASN  61           HB2      ASN  61 -15.543  -4.169   1.692
  449   2HB   ASN  61           HB1      ASN  61 -16.777  -3.773   0.494
  450   1HD2  ASN  61          HD22      ASN  61 -17.632  -6.640   3.069
  451   2HD2  ASN  61          HD21      ASN  61 -16.517  -5.386   3.323
  452    HA   PRO  62           HA       PRO  62 -16.297  -5.516  -4.254
  453   1HB   PRO  62           HB2      PRO  62 -16.291  -8.390  -4.437
  454   2HB   PRO  62           HB1      PRO  62 -15.174  -7.252  -5.205
  455   1HG   PRO  62           HG2      PRO  62 -14.627  -9.027  -3.008
  456   2HG   PRO  62           HG1      PRO  62 -13.527  -7.859  -3.752
  457   1HD   PRO  62           HD2      PRO  62 -14.819  -7.693  -1.173
  458   2HD   PRO  62           HD1      PRO  62 -13.675  -6.548  -1.900
  459    H    ALA  63           HN       ALA  63 -18.001  -7.581  -5.200
  460    HA   ALA  63           HA       ALA  63 -20.270  -8.173  -5.123
  461   1HB   ALA  63           HB1      ALA  63 -19.321  -8.599  -2.300
  462   2HB   ALA  63           HB3      ALA  63 -21.013  -8.861  -2.721
  463   3HB   ALA  63           HB2      ALA  63 -19.750  -9.803  -3.514
   
  Start of MODEL          18
 Raw file had  463 H/Q atoms
  Start of MODEL   18
    1   1H    LYS   1           HT3      LYS   1   5.856  14.067   2.876
    2   2H    LYS   1           HT2      LYS   1   6.923  14.235   1.565
    3   3H    LYS   1           HT1      LYS   1   5.254  14.451   1.338
    4    HA   LYS   1           HA       LYS   1   5.286  12.346   0.624
    5   1HB   LYS   1           HB2      LYS   1   7.797  12.024   2.300
    6   2HB   LYS   1           HB1      LYS   1   7.114  10.763   1.271
    7   1HG   LYS   1           HG2      LYS   1   7.275  12.372  -0.667
    8   2HG   LYS   1           HG1      LYS   1   8.167  13.464   0.392
    9   1HD   LYS   1           HD2      LYS   1   9.958  11.915   0.651
   10   2HD   LYS   1           HD1      LYS   1   9.013  10.596  -0.040
   11   1HE   LYS   1           HE2      LYS   1   8.917  11.946  -2.193
   12   2HE   LYS   1           HE1      LYS   1  10.118  13.020  -1.475
   13   1HZ   LYS   1           HZ3      LYS   1  10.917  10.340  -1.135
   14   2HZ   LYS   1           HZ2      LYS   1  10.559  10.607  -2.774
   15   3HZ   LYS   1           HZ1      LYS   1  11.703  11.582  -1.982
   16    H    LYS   2           HN       LYS   2   4.909  10.077   1.674
   17    HA   LYS   2           HA       LYS   2   4.313  10.127   4.543
   18   1HB   LYS   2           HB2      LYS   2   2.377  11.328   3.759
   19   2HB   LYS   2           HB1      LYS   2   2.099  10.141   2.484
   20   1HG   LYS   2           HG2      LYS   2   1.615   8.416   4.113
   21   2HG   LYS   2           HG1      LYS   2   2.060   9.488   5.441
   22   1HD   LYS   2           HD2      LYS   2  -0.312   9.568   5.350
   23   2HD   LYS   2           HD1      LYS   2   0.231  11.059   4.577
   24   1HE   LYS   2           HE2      LYS   2   0.028   9.945   2.359
   25   2HE   LYS   2           HE1      LYS   2  -0.613   8.512   3.162
   26   1HZ   LYS   2           HZ3      LYS   2  -2.346  10.028   4.127
   27   2HZ   LYS   2           HZ2      LYS   2  -1.809  11.219   3.039
   28   3HZ   LYS   2           HZ1      LYS   2  -2.459   9.761   2.455
   29    H    ASP   3           HN       ASP   3   4.223   8.061   5.356
   30    HA   ASP   3           HA       ASP   3   4.496   5.811   3.419
   31   1HB   ASP   3           HB2      ASP   3   4.739   5.429   6.362
   32   2HB   ASP   3           HB1      ASP   3   5.712   4.740   5.064
   33    H    GLY   4           HN       GLY   4   3.036   3.908   3.781
   34   1HA   GLY   4           HA2      GLY   4   1.155   3.526   5.748
   35   2HA   GLY   4           HA1      GLY   4   0.409   4.788   4.778
   36    OH   TYR   5           OH       TYR   5   0.299  -2.786   7.401
   37    H    TYR   5           HN       TYR   5  -1.256   3.082   4.551
   38    HA   TYR   5           HA       TYR   5  -0.596   0.939   2.588
   39   1HB   TYR   5           HB2      TYR   5  -2.978   1.435   4.394
   40   2HB   TYR   5           HB1      TYR   5  -2.965   0.184   3.155
   41    HD1  TYR   5           HD1      TYR   5  -0.491  -1.135   3.226
   42    HD2  TYR   5           HD2      TYR   5  -2.611   0.610   6.528
   43    HE1  TYR   5           HE1      TYR   5   0.649  -2.694   4.782
   44    HE2  TYR   5           HE2      TYR   5  -1.464  -0.943   8.085
   45    HH   TYR   5           HH       TYR   5  -0.161  -2.752   8.244
   46    HA   PRO   6           HA       PRO   6  -2.389   3.978  -0.283
   47   1HB   PRO   6           HB2      PRO   6  -1.550   2.301  -2.442
   48   2HB   PRO   6           HB1      PRO   6  -0.803   3.806  -1.897
   49   1HG   PRO   6           HG2      PRO   6   0.206   1.114  -1.593
   50   2HG   PRO   6           HG1      PRO   6   0.973   2.628  -1.092
   51   1HD   PRO   6           HD2      PRO   6  -0.264   0.631   0.585
   52   2HD   PRO   6           HD1      PRO   6   0.512   2.147   1.080
   53    H    VAL   7           HN       VAL   7  -4.589   3.818  -0.616
   54    HA   VAL   7           HA       VAL   7  -5.682   1.169  -1.506
   55    HB   VAL   7           HB       VAL   7  -7.666   1.569  -0.286
   56   1HG1  VAL   7          HG12      VAL   7  -5.332   2.591   1.352
   57   2HG1  VAL   7          HG11      VAL   7  -6.842   1.968   2.015
   58   3HG1  VAL   7          HG13      VAL   7  -5.766   0.899   1.116
   59   1HG2  VAL   7          HG21      VAL   7  -7.903   3.965  -0.931
   60   2HG2  VAL   7          HG23      VAL   7  -8.178   3.718   0.793
   61   3HG2  VAL   7          HG22      VAL   7  -6.645   4.385   0.231
   62    H    ASP   8           HN       ASP   8  -7.188   1.201  -3.231
   63    HA   ASP   8           HA       ASP   8  -7.004   3.554  -4.959
   64   1HB   ASP   8           HB2      ASP   8  -8.253   2.245  -6.574
   65   2HB   ASP   8           HB1      ASP   8  -7.033   1.206  -5.840
   66    H    SER   9           HN       SER   9  -9.533   3.730  -6.104
   67    HA   SER   9           HA       SER   9 -10.901   5.388  -4.183
   68   1HB   SER   9           HB2      SER   9 -12.408   5.896  -5.925
   69   2HB   SER   9           HB1      SER   9 -10.895   5.565  -6.764
   70    HG   SER   9           HG       SER   9 -13.190   3.945  -6.487
   71    H    GLY  10           HN       GLY  10 -10.833   2.063  -4.423
   72   1HA   GLY  10           HA2      GLY  10 -13.643   1.792  -3.462
   73   2HA   GLY  10           HA1      GLY  10 -12.673   0.469  -4.107
   74    H    ASN  11           HN       ASN  11 -10.636   2.250  -2.181
   75    HA   ASN  11           HA       ASN  11  -9.916   2.021   0.049
   76   1HB   ASN  11           HB2      ASN  11 -12.723   1.484   0.206
   77   2HB   ASN  11           HB1      ASN  11 -11.881   0.280   1.165
   78   1HD2  ASN  11          HD22      ASN  11 -11.085   4.168   2.161
   79   2HD2  ASN  11          HD21      ASN  11 -11.159   3.700   0.533
   80    H    CYS  12           HN       CYS  12  -9.058   0.379  -1.991
   81    HA   CYS  12           HA       CYS  12  -8.800  -2.293  -0.680
   82   1HB   CYS  12           HB2      CYS  12  -9.239  -1.473  -3.450
   83   2HB   CYS  12           HB1      CYS  12  -7.847  -2.539  -3.275
   84    H    LYS  13           HN       LYS  13  -6.892  -2.347   0.402
   85    HA   LYS  13           HA       LYS  13  -4.666  -0.609  -0.320
   86   1HB   LYS  13           HB2      LYS  13  -4.643  -2.955   1.592
   87   2HB   LYS  13           HB1      LYS  13  -3.554  -1.568   1.589
   88   1HG   LYS  13           HG2      LYS  13  -5.024  -0.289   2.744
   89   2HG   LYS  13           HG1      LYS  13  -6.378  -0.796   1.733
   90   1HD   LYS  13           HD2      LYS  13  -6.932  -1.677   3.846
   91   2HD   LYS  13           HD1      LYS  13  -6.202  -3.051   3.016
   92   1HE   LYS  13           HE2      LYS  13  -4.786  -3.202   4.769
   93   2HE   LYS  13           HE1      LYS  13  -4.027  -1.734   4.153
   94   1HZ   LYS  13           HZ3      LYS  13  -5.797  -0.503   5.442
   95   2HZ   LYS  13           HZ2      LYS  13  -6.133  -1.976   6.218
   96   3HZ   LYS  13           HZ1      LYS  13  -4.595  -1.269   6.361
   97    OH   TYR  14           OH       TYR  14  -4.276   2.274  -6.001
   98    H    TYR  14           HN       TYR  14  -3.398  -1.105  -2.069
   99    HA   TYR  14           HA       TYR  14  -3.323  -3.453  -3.534
  100   1HB   TYR  14           HB2      TYR  14  -0.835  -1.819  -2.962
  101   2HB   TYR  14           HB1      TYR  14  -1.188  -2.774  -4.402
  102    HD1  TYR  14           HD1      TYR  14  -3.369  -2.177  -5.694
  103    HD2  TYR  14           HD2      TYR  14  -1.414   0.470  -2.939
  104    HE1  TYR  14           HE1      TYR  14  -4.525  -0.253  -6.731
  105    HE2  TYR  14           HE2      TYR  14  -2.573   2.399  -3.977
  106    HH   TYR  14           HH       TYR  14  -4.895   1.931  -6.653
  107    H    GLU  15           HN       GLU  15  -3.217  -5.416  -2.630
  108    HA   GLU  15           HA       GLU  15  -1.614  -6.009  -0.278
  109   1HB   GLU  15           HB2      GLU  15  -3.598  -7.341  -1.950
  110   2HB   GLU  15           HB1      GLU  15  -2.306  -8.426  -1.435
  111   1HG   GLU  15           HG2      GLU  15  -2.942  -8.351   0.753
  112   2HG   GLU  15           HG1      GLU  15  -3.316  -6.629   0.680
  113    H    CYS  16           HN       CYS  16  -0.215  -8.134  -0.470
  114    HA   CYS  16           HA       CYS  16   1.248  -8.450  -2.953
  115   1HB   CYS  16           HB2      CYS  16   2.853  -6.942  -2.644
  116   2HB   CYS  16           HB1      CYS  16   2.053  -6.426  -1.169
  117    H    LEU  17           HN       LEU  17   3.290  -9.935  -2.438
  118    HA   LEU  17           HA       LEU  17   2.426 -11.869  -0.325
  119   1HB   LEU  17           HB2      LEU  17   3.902 -12.886  -2.706
  120   2HB   LEU  17           HB1      LEU  17   2.648 -13.665  -1.746
  121    HG   LEU  17           HG       LEU  17   1.924 -11.277  -3.422
  122   1HD1  LEU  17          HD11      LEU  17   3.272 -13.235  -4.657
  123   2HD1  LEU  17          HD13      LEU  17   1.680 -13.996  -4.620
  124   3HD1  LEU  17          HD12      LEU  17   1.893 -12.433  -5.409
  125   1HD2  LEU  17          HD23      LEU  17   0.321 -12.324  -1.809
  126   2HD2  LEU  17          HD22      LEU  17  -0.234 -12.420  -3.481
  127   3HD2  LEU  17          HD21      LEU  17   0.465 -13.839  -2.701
  128    H    LYS  18           HN       LYS  18   5.012 -10.001  -1.655
  129    HA   LYS  18           HA       LYS  18   6.803 -11.146   0.403
  130   1HB   LYS  18           HB2      LYS  18   8.656 -11.413  -1.259
  131   2HB   LYS  18           HB1      LYS  18   7.317 -12.530  -1.522
  132   1HG   LYS  18           HG2      LYS  18   6.403 -10.685  -3.117
  133   2HG   LYS  18           HG1      LYS  18   8.058 -10.076  -3.095
  134   1HD   LYS  18           HD2      LYS  18   7.905 -11.577  -4.965
  135   2HD   LYS  18           HD1      LYS  18   8.811 -12.426  -3.710
  136   1HE   LYS  18           HE2      LYS  18   6.758 -13.590  -3.001
  137   2HE   LYS  18           HE1      LYS  18   5.841 -12.736  -4.241
  138   1HZ   LYS  18           HZ2      LYS  18   7.881 -13.780  -5.650
  139   2HZ   LYS  18           HZ1      LYS  18   7.613 -14.994  -4.492
  140   3HZ   LYS  18           HZ3      LYS  18   6.345 -14.492  -5.500
  141    H    ASP  19           HN       ASP  19   8.910  -9.871   0.472
  142    HA   ASP  19           HA       ASP  19   8.337  -7.087   0.785
  143   1HB   ASP  19           HB2      ASP  19  10.397  -8.854   1.487
  144   2HB   ASP  19           HB1      ASP  19  11.170  -7.647   0.463
  145    H    ASP  20           HN       ASP  20   9.794  -8.932  -1.849
  146    HA   ASP  20           HA       ASP  20  10.932  -6.779  -3.307
  147   1HB   ASP  20           HB2      ASP  20  11.500  -8.500  -4.645
  148   2HB   ASP  20           HB1      ASP  20  10.451  -9.556  -3.708
  149    OH   TYR  21           OH       TYR  21   0.940  -4.356  -6.499
  150    H    TYR  21           HN       TYR  21   7.685  -8.249  -3.861
  151    HA   TYR  21           HA       TYR  21   6.787  -6.386  -5.745
  152   1HB   TYR  21           HB2      TYR  21   5.419  -8.319  -5.103
  153   2HB   TYR  21           HB1      TYR  21   5.175  -7.632  -3.495
  154    HD1  TYR  21           HD1      TYR  21   4.099  -5.280  -3.352
  155    HD2  TYR  21           HD2      TYR  21   3.966  -7.738  -6.871
  156    HE1  TYR  21           HE1      TYR  21   2.190  -3.957  -4.210
  157    HE2  TYR  21           HE2      TYR  21   2.057  -6.410  -7.725
  158    HH   TYR  21           HH       TYR  21   0.134  -4.844  -6.318
  159    H    CYS  22           HN       CYS  22   6.598  -6.123  -2.187
  160    HA   CYS  22           HA       CYS  22   5.332  -3.601  -2.073
  161   1HB   CYS  22           HB2      CYS  22   6.645  -5.353  -0.253
  162   2HB   CYS  22           HB1      CYS  22   7.275  -3.727  -0.015
  163    H    ASN  23           HN       ASN  23   8.722  -4.410  -2.585
  164    HA   ASN  23           HA       ASN  23   9.744  -1.728  -2.334
  165   1HB   ASN  23           HB2      ASN  23  11.167  -3.779  -2.333
  166   2HB   ASN  23           HB1      ASN  23  10.772  -4.054  -4.015
  167   1HD2  ASN  23          HD22      ASN  23  13.062  -1.671  -5.219
  168   2HD2  ASN  23          HD21      ASN  23  11.866  -2.820  -5.578
  169    H    ASP  24           HN       ASP  24   9.273  -3.701  -5.239
  170    HA   ASP  24           HA       ASP  24   9.510  -1.723  -7.197
  171   1HB   ASP  24           HB2      ASP  24   9.097  -4.237  -7.486
  172   2HB   ASP  24           HB1      ASP  24   7.389  -3.879  -7.279
  173    H    LEU  25           HN       LEU  25   6.310  -2.890  -6.127
  174    HA   LEU  25           HA       LEU  25   4.670  -0.915  -7.087
  175   1HB   LEU  25           HB2      LEU  25   3.906  -2.841  -5.697
  176   2HB   LEU  25           HB1      LEU  25   4.528  -2.027  -4.263
  177    HG   LEU  25           HG       LEU  25   3.014  -0.055  -4.930
  178   1HD1  LEU  25          HD11      LEU  25   2.690  -1.171  -7.261
  179   2HD1  LEU  25          HD13      LEU  25   1.488  -2.165  -6.439
  180   3HD1  LEU  25          HD12      LEU  25   1.296  -0.413  -6.491
  181   1HD2  LEU  25          HD23      LEU  25   2.586  -2.212  -3.294
  182   2HD2  LEU  25          HD22      LEU  25   1.464  -0.861  -3.447
  183   3HD2  LEU  25          HD21      LEU  25   1.201  -2.335  -4.379
  184    H    CYS  26           HN       CYS  26   6.846  -0.672  -4.333
  185    HA   CYS  26           HA       CYS  26   5.981   1.855  -3.372
  186   1HB   CYS  26           HB2      CYS  26   8.003  -0.057  -2.776
  187   2HB   CYS  26           HB1      CYS  26   8.802   1.485  -2.970
  188    H    LEU  27           HN       LEU  27   8.684   1.009  -5.531
  189    HA   LEU  27           HA       LEU  27   9.479   3.680  -5.969
  190   1HB   LEU  27           HB2      LEU  27  11.195   2.600  -6.940
  191   2HB   LEU  27           HB1      LEU  27  10.327   1.089  -6.692
  192    HG   LEU  27           HG       LEU  27   9.061   1.730  -8.847
  193   1HD1  LEU  27          HD11      LEU  27  10.977   3.882  -8.610
  194   2HD1  LEU  27          HD13      LEU  27  11.256   2.987 -10.104
  195   3HD1  LEU  27          HD12      LEU  27   9.672   3.693  -9.781
  196   1HD2  LEU  27          HD21      LEU  27  11.634   0.453  -8.358
  197   2HD2  LEU  27          HD23      LEU  27  10.314  -0.069  -9.403
  198   3HD2  LEU  27          HD22      LEU  27  11.518   1.070 -10.007
  199    H    GLU  28           HN       GLU  28   7.047   1.696  -7.559
  200    HA   GLU  28           HA       GLU  28   6.694   3.409  -9.813
  201   1HB   GLU  28           HB2      GLU  28   5.826   0.956  -9.343
  202   2HB   GLU  28           HB1      GLU  28   4.413   1.816  -8.730
  203   1HG   GLU  28           HG2      GLU  28   3.802   2.573 -10.802
  204   2HG   GLU  28           HG1      GLU  28   5.471   2.748 -11.343
  205    NH1  ARG  29           NH2      ARG  29  -0.621   4.069  -6.026
  206    NH2  ARG  29           NH1      ARG  29  -0.826   2.388  -7.515
  207    H    ARG  29           HN       ARG  29   5.402   3.392  -6.589
  208    HA   ARG  29           HA       ARG  29   3.424   5.441  -7.167
  209   1HB   ARG  29           HB2      ARG  29   4.039   3.644  -4.977
  210   2HB   ARG  29           HB1      ARG  29   3.728   5.280  -4.394
  211   1HG   ARG  29           HG2      ARG  29   1.527   5.130  -4.871
  212   2HG   ARG  29           HG1      ARG  29   1.847   4.477  -6.479
  213   1HD   ARG  29           HD2      ARG  29   2.566   2.397  -4.801
  214   2HD   ARG  29           HD1      ARG  29   1.150   3.073  -4.000
  215    HE   ARG  29           HE       ARG  29   1.079   1.431  -6.302
  216   1HH1  ARG  29          HH21      ARG  29  -0.177   4.475  -5.231
  217   2HH1  ARG  29          HH22      ARG  29  -1.401   4.530  -6.448
  218   1HH2  ARG  29          HH11      ARG  29  -0.532   1.500  -7.868
  219   2HH2  ARG  29          HH12      ARG  29  -1.607   2.856  -7.929
  220    H    LYS  30           HN       LYS  30   6.703   5.534  -6.793
  221    HA   LYS  30           HA       LYS  30   8.059   7.500  -6.767
  222   1HB   LYS  30           HB2      LYS  30   7.169   9.606  -6.500
  223   2HB   LYS  30           HB1      LYS  30   5.675   8.748  -6.858
  224   1HG   LYS  30           HG2      LYS  30   4.931   9.679  -4.920
  225   2HG   LYS  30           HG1      LYS  30   5.856   8.403  -4.136
  226   1HD   LYS  30           HD2      LYS  30   6.697  10.290  -3.063
  227   2HD   LYS  30           HD1      LYS  30   7.854  10.115  -4.380
  228   1HE   LYS  30           HE2      LYS  30   5.911  11.608  -5.592
  229   2HE   LYS  30           HE1      LYS  30   5.803  12.198  -3.934
  230   1HZ   LYS  30           HZ3      LYS  30   8.369  11.966  -5.396
  231   2HZ   LYS  30           HZ2      LYS  30   7.430  13.382  -5.402
  232   3HZ   LYS  30           HZ1      LYS  30   8.071  12.791  -3.944
  233    H    ALA  31           HN       ALA  31   6.992   5.496  -4.524
  234    HA   ALA  31           HA       ALA  31   8.004   6.792  -2.112
  235   1HB   ALA  31           HB3      ALA  31   6.566   4.331  -2.785
  236   2HB   ALA  31           HB2      ALA  31   7.811   4.082  -1.561
  237   3HB   ALA  31           HB1      ALA  31   6.538   5.274  -1.295
  238    H    ASP  32           HN       ASP  32   9.888   6.077  -0.973
  239    HA   ASP  32           HA       ASP  32  12.082   5.376  -2.704
  240   1HB   ASP  32           HB2      ASP  32  11.840   6.867  -0.469
  241   2HB   ASP  32           HB1      ASP  32  12.395   5.361   0.235
  242    H    LYS  33           HN       LYS  33  10.243   3.818  -0.084
  243    HA   LYS  33           HA       LYS  33  10.941   1.188  -1.114
  244   1HB   LYS  33           HB2      LYS  33  12.262   0.407   0.786
  245   2HB   LYS  33           HB1      LYS  33  13.061   1.786   0.031
  246   1HG   LYS  33           HG2      LYS  33  13.118   2.687   2.108
  247   2HG   LYS  33           HG1      LYS  33  11.391   2.977   1.895
  248   1HD   LYS  33           HD2      LYS  33  10.836   0.879   2.955
  249   2HD   LYS  33           HD1      LYS  33  12.532   0.399   3.002
  250   1HE   LYS  33           HE2      LYS  33  12.033   3.002   4.261
  251   2HE   LYS  33           HE1      LYS  33  11.184   1.673   5.050
  252   1HZ   LYS  33           HZ1      LYS  33  13.509   0.524   4.757
  253   2HZ   LYS  33           HZ3      LYS  33  14.060   2.128   4.747
  254   3HZ   LYS  33           HZ2      LYS  33  13.189   1.539   6.082
  255    H    GLY  34           HN       GLY  34   9.920  -0.549   0.144
  256   1HA   GLY  34           HA2      GLY  34   8.181   0.171   2.378
  257   2HA   GLY  34           HA1      GLY  34   7.308  -0.137   0.880
  258    OH   TYR  35           OH       TYR  35   6.187  -0.878   8.527
  259    H    TYR  35           HN       TYR  35   7.379  -1.705   3.448
  260    HA   TYR  35           HA       TYR  35   8.400  -4.258   2.285
  261   1HB   TYR  35           HB2      TYR  35   8.229  -5.145   4.653
  262   2HB   TYR  35           HB1      TYR  35   9.496  -3.970   4.375
  263    HD1  TYR  35           HD1      TYR  35   5.992  -4.330   5.569
  264    HD2  TYR  35           HD2      TYR  35   9.569  -1.954   5.659
  265    HE1  TYR  35           HE1      TYR  35   5.013  -2.930   7.362
  266    HE2  TYR  35           HE2      TYR  35   8.587  -0.547   7.453
  267    HH   TYR  35           HH       TYR  35   6.577  -1.153   9.359
  268    H    CYS  36           HN       CYS  36   7.043  -6.151   2.877
  269    HA   CYS  36           HA       CYS  36   4.226  -5.397   2.387
  270   1HB   CYS  36           HB2      CYS  36   5.635  -7.291   1.214
  271   2HB   CYS  36           HB1      CYS  36   5.091  -8.255   2.585
  272    OH   TYR  37           OH       TYR  37   0.646  -5.332  11.994
  273    H    TYR  37           HN       TYR  37   2.966  -5.031   4.088
  274    HA   TYR  37           HA       TYR  37   3.503  -6.347   6.677
  275   1HB   TYR  37           HB2      TYR  37   2.865  -3.895   6.459
  276   2HB   TYR  37           HB1      TYR  37   1.262  -4.433   5.958
  277    HD1  TYR  37           HD1      TYR  37   0.124  -6.226   7.559
  278    HD2  TYR  37           HD2      TYR  37   3.272  -3.545   8.729
  279    HE1  TYR  37           HE1      TYR  37  -0.523  -6.502   9.935
  280    HE2  TYR  37           HE2      TYR  37   2.623  -3.825  11.106
  281    HH   TYR  37           HH       TYR  37   1.436  -5.533  12.499
  282    CH2  TRP  38           CH2      TRP  38   0.076 -14.425   2.199
  283    H    TRP  38           HN       TRP  38   2.929  -8.521   6.185
  284    HA   TRP  38           HA       TRP  38   0.481  -9.232   4.879
  285   1HB   TRP  38           HB2      TRP  38   2.636 -10.640   6.306
  286   2HB   TRP  38           HB1      TRP  38   1.059 -11.415   6.447
  287    HD1  TRP  38           HD1      TRP  38   3.245  -9.897   3.625
  288    HE1  TRP  38           HE1      TRP  38   2.904 -11.339   1.511
  289    HE3  TRP  38           HE3      TRP  38  -0.208 -13.225   5.378
  290    HZ2  TRP  38           HZ2      TRP  38   1.363 -13.606   0.678
  291    HZ3  TRP  38           HZ3      TRP  38  -1.096 -15.011   3.910
  292    HH2  TRP  38           HH2      TRP  38  -0.315 -15.206   1.563
  293    H    GLY  39           HN       GLY  39   0.800 -10.677   8.041
  294   1HA   GLY  39           HA2      GLY  39  -0.909 -10.877   9.673
  295   2HA   GLY  39           HA1      GLY  39  -0.694  -9.126   9.746
  296    H    LYS  40           HN       LYS  40  -1.835 -10.772   6.872
  297    HA   LYS  40           HA       LYS  40  -3.869 -10.619   5.716
  298   1HB   LYS  40           HB2      LYS  40  -5.328  -9.901   8.230
  299   2HB   LYS  40           HB1      LYS  40  -5.804 -10.997   6.936
  300   1HG   LYS  40           HG2      LYS  40  -3.742 -11.507   9.096
  301   2HG   LYS  40           HG1      LYS  40  -5.278 -12.341   8.870
  302   1HD   LYS  40           HD2      LYS  40  -3.327 -12.343   6.599
  303   2HD   LYS  40           HD1      LYS  40  -3.011 -13.398   7.975
  304   1HE   LYS  40           HE2      LYS  40  -4.898 -14.687   7.600
  305   2HE   LYS  40           HE1      LYS  40  -5.768 -13.368   6.814
  306   1HZ   LYS  40           HZ1      LYS  40  -3.674 -13.722   5.172
  307   2HZ   LYS  40           HZ3      LYS  40  -3.958 -15.313   5.687
  308   3HZ   LYS  40           HZ2      LYS  40  -5.202 -14.427   4.945
  309    H    VAL  41           HN       VAL  41  -2.424  -8.431   5.396
  310    HA   VAL  41           HA       VAL  41  -4.405  -6.233   5.676
  311    HB   VAL  41           HB       VAL  41  -1.450  -6.009   6.320
  312   1HG1  VAL  41          HG12      VAL  41  -3.687  -4.000   6.072
  313   2HG1  VAL  41          HG11      VAL  41  -2.289  -3.684   7.098
  314   3HG1  VAL  41          HG13      VAL  41  -2.072  -3.937   5.366
  315   1HG2  VAL  41          HG22      VAL  41  -3.967  -6.075   7.985
  316   2HG2  VAL  41          HG21      VAL  41  -2.493  -7.021   8.189
  317   3HG2  VAL  41          HG23      VAL  41  -2.498  -5.301   8.579
  318    H    SER  42           HN       SER  42  -1.217  -5.427   4.574
  319    HA   SER  42           HA       SER  42  -1.598  -6.106   1.790
  320   1HB   SER  42           HB2      SER  42  -1.754  -3.215   1.852
  321   2HB   SER  42           HB1      SER  42  -2.792  -4.367   1.017
  322    HG   SER  42           HG       SER  42  -2.935  -3.582   3.746
  323    H    CYS  43           HN       CYS  43  -0.337  -3.841   0.691
  324    HA   CYS  43           HA       CYS  43   2.424  -4.325   1.608
  325   1HB   CYS  43           HB2      CYS  43   1.183  -3.718  -0.878
  326   2HB   CYS  43           HB1      CYS  43   2.289  -2.396  -0.503
  327    OH   TYR  44           OH       TYR  44   2.729   3.437   8.029
  328    H    TYR  44           HN       TYR  44   3.604  -2.896   2.749
  329    HA   TYR  44           HA       TYR  44   2.405  -0.229   3.359
  330   1HB   TYR  44           HB2      TYR  44   3.133  -1.975   5.187
  331   2HB   TYR  44           HB1      TYR  44   4.757  -1.387   4.830
  332    HD1  TYR  44           HD2      TYR  44   1.347  -0.291   5.828
  333    HD2  TYR  44           HD1      TYR  44   5.511   0.720   5.659
  334    HE1  TYR  44           HE2      TYR  44   0.911   1.686   7.224
  335    HE2  TYR  44           HE1      TYR  44   5.087   2.708   7.064
  336    HH   TYR  44           HH       TYR  44   2.732   4.212   7.463
  337    H    CYS  45           HN       CYS  45   3.357   1.517   2.422
  338    HA   CYS  45           HA       CYS  45   6.130   1.168   1.346
  339   1HB   CYS  45           HB2      CYS  45   3.708   2.409   0.252
  340   2HB   CYS  45           HB1      CYS  45   5.175   3.343   0.043
  341    OH   TYR  46           OH       TYR  46   7.060   1.015   7.575
  342    H    TYR  46           HN       TYR  46   7.095   3.392   0.946
  343    HA   TYR  46           HA       TYR  46   6.619   5.362   3.099
  344   1HB   TYR  46           HB2      TYR  46   9.242   3.924   2.667
  345   2HB   TYR  46           HB1      TYR  46   9.044   5.327   3.709
  346    HD1  TYR  46           HD1      TYR  46   8.284   1.753   3.257
  347    HD2  TYR  46           HD2      TYR  46   7.938   5.130   5.860
  348    HE1  TYR  46           HE1      TYR  46   7.645   0.246   5.117
  349    HE2  TYR  46           HE2      TYR  46   7.279   3.639   7.722
  350    HH   TYR  46           HH       TYR  46   7.548   1.286   8.356
  351    H    GLY  47           HN       GLY  47   6.349   7.083   1.700
  352   1HA   GLY  47           HA2      GLY  47   7.825   8.789   0.516
  353   2HA   GLY  47           HA1      GLY  47   8.421   7.430  -0.434
  354    H    LEU  48           HN       LEU  48   5.088   7.344   0.398
  355    HA   LEU  48           HA       LEU  48   4.326   7.612  -2.422
  356   1HB   LEU  48           HB2      LEU  48   2.472   7.393  -0.035
  357   2HB   LEU  48           HB1      LEU  48   2.153   6.905  -1.697
  358    HG   LEU  48           HG       LEU  48   4.182   5.627   0.156
  359   1HD1  LEU  48          HD11      LEU  48   1.368   5.003  -0.643
  360   2HD1  LEU  48          HD13      LEU  48   2.489   3.655  -0.444
  361   3HD1  LEU  48          HD12      LEU  48   2.177   4.748   0.904
  362   1HD2  LEU  48          HD23      LEU  48   4.715   5.713  -2.346
  363   2HD2  LEU  48          HD22      LEU  48   4.637   4.101  -1.632
  364   3HD2  LEU  48          HD21      LEU  48   3.284   4.710  -2.586
  365    HA   PRO  49           HA       PRO  49   3.160  11.816  -2.584
  366   1HB   PRO  49           HB2      PRO  49   0.299  11.274  -2.946
  367   2HB   PRO  49           HB1      PRO  49   1.453  11.981  -4.086
  368   1HG   PRO  49           HG2      PRO  49   0.390   9.353  -4.201
  369   2HG   PRO  49           HG1      PRO  49   1.738   9.981  -5.158
  370   1HD   PRO  49           HD2      PRO  49   1.828   8.050  -3.005
  371   2HD   PRO  49           HD1      PRO  49   3.167   8.619  -4.020
  372    H    ASP  50           HN       ASP  50   2.586  13.338  -1.036
  373    HA   ASP  50           HA       ASP  50   2.047  12.620   1.589
  374   1HB   ASP  50           HB2      ASP  50   2.196  15.051   0.057
  375   2HB   ASP  50           HB1      ASP  50   0.918  15.151   1.261
  376    H    ASN  51           HN       ASN  51  -0.311  14.182  -0.516
  377    HA   ASN  51           HA       ASN  51  -2.507  13.416   1.158
  378   1HB   ASN  51           HB2      ASN  51  -3.828  14.404  -0.782
  379   2HB   ASN  51           HB1      ASN  51  -2.711  15.490   0.026
  380   1HD2  ASN  51          HD22      ASN  51  -1.865  16.090  -3.440
  381   2HD2  ASN  51          HD21      ASN  51  -2.971  16.575  -2.245
  382    H    SER  52           HN       SER  52  -0.738  11.498  -0.756
  383    HA   SER  52           HA       SER  52  -2.282  10.189  -2.617
  384   1HB   SER  52           HB2      SER  52   0.058   9.563  -1.684
  385   2HB   SER  52           HB1      SER  52  -0.829   8.579  -0.521
  386    HG   SER  52           HG       SER  52  -1.550   8.378  -3.206
  387    HA   PRO  53           HA       PRO  53  -5.955   9.052  -0.404
  388   1HB   PRO  53           HB2      PRO  53  -6.656   7.115  -2.386
  389   2HB   PRO  53           HB1      PRO  53  -7.270   8.767  -2.233
  390   1HG   PRO  53           HG2      PRO  53  -5.436   7.723  -4.221
  391   2HG   PRO  53           HG1      PRO  53  -6.125   9.349  -4.115
  392   1HD   PRO  53           HD2      PRO  53  -3.424   8.547  -3.539
  393   2HD   PRO  53           HD1      PRO  53  -4.129  10.169  -3.389
  394    H    THR  54           HN       THR  54  -5.349   7.823   1.384
  395    HA   THR  54           HA       THR  54  -4.544   4.995   0.857
  396    HB   THR  54           HB       THR  54  -3.477   5.076   3.103
  397    HG1  THR  54           HG1      THR  54  -3.257   7.535   3.651
  398   1HG2  THR  54          HG22      THR  54  -2.658   6.348   0.713
  399   2HG2  THR  54          HG21      THR  54  -2.176   7.413   2.034
  400   3HG2  THR  54          HG23      THR  54  -1.629   5.737   2.009
  401    H    LYS  55           HN       LYS  55  -5.194   3.590   2.896
  402    HA   LYS  55           HA       LYS  55  -7.890   3.144   2.975
  403   1HB   LYS  55           HB2      LYS  55  -6.038   1.862   4.193
  404   2HB   LYS  55           HB1      LYS  55  -6.255   3.012   5.512
  405   1HG   LYS  55           HG2      LYS  55  -7.608   0.959   5.848
  406   2HG   LYS  55           HG1      LYS  55  -8.619   2.396   5.697
  407   1HD   LYS  55           HD2      LYS  55  -9.316   1.834   3.526
  408   2HD   LYS  55           HD1      LYS  55  -7.947   0.751   3.267
  409   1HE   LYS  55           HE2      LYS  55  -8.863  -0.798   4.971
  410   2HE   LYS  55           HE1      LYS  55 -10.247   0.272   5.185
  411   1HZ   LYS  55           HZ1      LYS  55  -9.482  -0.996   2.613
  412   2HZ   LYS  55           HZ3      LYS  55 -10.682  -1.585   3.655
  413   3HZ   LYS  55           HZ2      LYS  55 -10.874  -0.069   2.913
  414    H    THR  56           HN       THR  56  -9.682   3.885   4.181
  415    HA   THR  56           HA       THR  56  -9.253   6.460   5.637
  416    HB   THR  56           HB       THR  56 -11.642   5.659   3.950
  417    HG1  THR  56           HG1      THR  56 -10.627   7.759   2.953
  418   1HG2  THR  56          HG23      THR  56 -10.972   8.154   5.529
  419   2HG2  THR  56          HG22      THR  56 -12.235   8.098   4.298
  420   3HG2  THR  56          HG21      THR  56 -12.365   7.093   5.742
  421    H    SER  57           HN       SER  57 -12.413   5.102   5.516
  422    HA   SER  57           HA       SER  57 -12.053   3.738   8.086
  423   1HB   SER  57           HB2      SER  57 -14.344   5.016   8.666
  424   2HB   SER  57           HB1      SER  57 -12.767   5.684   9.082
  425    HG   SER  57           HG       SER  57 -14.413   6.266   6.850
  426    H    GLY  58           HN       GLY  58 -12.394   2.266   5.933
  427   1HA   GLY  58           HA2      GLY  58 -14.936   0.964   6.321
  428   2HA   GLY  58           HA1      GLY  58 -14.939   1.874   4.809
  429    H    LYS  59           HN       LYS  59 -15.115  -0.960   4.852
  430    HA   LYS  59           HA       LYS  59 -12.412  -1.954   4.208
  431   1HB   LYS  59           HB2      LYS  59 -14.954  -3.132   4.960
  432   2HB   LYS  59           HB1      LYS  59 -14.298  -3.914   3.521
  433   1HG   LYS  59           HG2      LYS  59 -12.221  -3.408   5.500
  434   2HG   LYS  59           HG1      LYS  59 -13.520  -4.400   6.162
  435   1HD   LYS  59           HD2      LYS  59 -12.849  -6.186   4.966
  436   2HD   LYS  59           HD1      LYS  59 -12.889  -5.252   3.470
  437   1HE   LYS  59           HE2      LYS  59 -10.603  -5.436   5.450
  438   2HE   LYS  59           HE1      LYS  59 -10.622  -6.013   3.783
  439   1HZ   LYS  59           HZ1      LYS  59 -11.330  -3.400   3.577
  440   2HZ   LYS  59           HZ3      LYS  59 -10.147  -3.376   4.791
  441   3HZ   LYS  59           HZ2      LYS  59  -9.786  -4.036   3.267
  442    H    CYS  60           HN       CYS  60 -12.496  -3.472   2.091
  443    HA   CYS  60           HA       CYS  60 -13.024  -1.619  -0.111
  444   1HB   CYS  60           HB2      CYS  60 -11.063  -3.340   0.145
  445   2HB   CYS  60           HB1      CYS  60 -12.225  -4.492  -0.505
  446    H    ASN  61           HN       ASN  61 -14.144  -2.618  -2.148
  447    HA   ASN  61           HA       ASN  61 -16.861  -3.250  -1.444
  448   1HB   ASN  61           HB2      ASN  61 -15.269  -2.918  -3.947
  449   2HB   ASN  61           HB1      ASN  61 -16.776  -3.805  -4.054
  450   1HD2  ASN  61          HD22      ASN  61 -17.603  -0.243  -2.354
  451   2HD2  ASN  61          HD21      ASN  61 -16.675  -1.421  -1.565
  452    HA   PRO  62           HA       PRO  62 -16.989  -7.610  -1.346
  453   1HB   PRO  62           HB2      PRO  62 -18.959  -7.974  -3.416
  454   2HB   PRO  62           HB1      PRO  62 -19.205  -7.997  -1.664
  455   1HG   PRO  62           HG2      PRO  62 -20.010  -5.949  -3.520
  456   2HG   PRO  62           HG1      PRO  62 -20.227  -5.965  -1.765
  457   1HD   PRO  62           HD2      PRO  62 -18.394  -4.355  -3.306
  458   2HD   PRO  62           HD1      PRO  62 -18.626  -4.360  -1.546
  459    H    ALA  63           HN       ALA  63 -14.899  -8.021  -2.293
  460    HA   ALA  63           HA       ALA  63 -14.982  -9.459  -4.802
  461   1HB   ALA  63           HB2      ALA  63 -14.520  -6.660  -4.968
  462   2HB   ALA  63           HB1      ALA  63 -12.975  -7.457  -5.269
  463   3HB   ALA  63           HB3      ALA  63 -14.379  -7.854  -6.258
   
  Start of MODEL          19
 Raw file had  463 H/Q atoms
  Start of MODEL   19
    1   1H    LYS   1           HT1      LYS   1   1.910  13.632   3.604
    2   2H    LYS   1           HT3      LYS   1   3.145  14.595   2.953
    3   3H    LYS   1           HT2      LYS   1   1.923  13.986   1.943
    4    HA   LYS   1           HA       LYS   1   2.900  12.017   1.699
    5   1HB   LYS   1           HB2      LYS   1   5.324  12.096   1.870
    6   2HB   LYS   1           HB1      LYS   1   4.744  13.675   1.338
    7   1HG   LYS   1           HG2      LYS   1   4.700  14.186   3.932
    8   2HG   LYS   1           HG1      LYS   1   5.870  12.868   3.997
    9   1HD   LYS   1           HD2      LYS   1   6.240  15.038   1.957
   10   2HD   LYS   1           HD1      LYS   1   6.700  15.348   3.632
   11   1HE   LYS   1           HE2      LYS   1   8.580  14.134   3.387
   12   2HE   LYS   1           HE1      LYS   1   7.649  12.741   2.834
   13   1HZ   LYS   1           HZ2      LYS   1   7.925  14.896   0.917
   14   2HZ   LYS   1           HZ1      LYS   1   9.369  14.087   1.303
   15   3HZ   LYS   1           HZ3      LYS   1   8.048  13.216   0.693
   16    H    LYS   2           HN       LYS   2   3.081  10.029   2.706
   17    HA   LYS   2           HA       LYS   2   4.076   9.691   5.384
   18   1HB   LYS   2           HB2      LYS   2   2.128   9.440   6.648
   19   2HB   LYS   2           HB1      LYS   2   1.706  10.799   5.610
   20   1HG   LYS   2           HG2      LYS   2   0.944   7.894   5.178
   21   2HG   LYS   2           HG1      LYS   2  -0.142   9.210   5.624
   22   1HD   LYS   2           HD2      LYS   2   0.244  10.320   3.498
   23   2HD   LYS   2           HD1      LYS   2   1.473   9.132   3.060
   24   1HE   LYS   2           HE2      LYS   2  -0.124   7.808   2.188
   25   2HE   LYS   2           HE1      LYS   2  -0.893   7.704   3.772
   26   1HZ   LYS   2           HZ2      LYS   2  -1.311  10.154   2.250
   27   2HZ   LYS   2           HZ1      LYS   2  -2.095   8.758   1.682
   28   3HZ   LYS   2           HZ3      LYS   2  -2.381   9.306   3.261
   29    H    ASP   3           HN       ASP   3   3.537   7.370   6.167
   30    HA   ASP   3           HA       ASP   3   3.875   5.555   3.870
   31   1HB   ASP   3           HB2      ASP   3   3.665   4.560   6.672
   32   2HB   ASP   3           HB1      ASP   3   4.794   4.084   5.403
   33    H    GLY   4           HN       GLY   4   2.502   3.459   3.945
   34   1HA   GLY   4           HA2      GLY   4   0.177   3.091   5.400
   35   2HA   GLY   4           HA1      GLY   4  -0.296   4.258   4.171
   36    OH   TYR   5           OH       TYR   5   0.195  -3.042   7.350
   37    H    TYR   5           HN       TYR   5  -1.702   2.118   3.962
   38    HA   TYR   5           HA       TYR   5  -0.417   0.134   2.180
   39   1HB   TYR   5           HB2      TYR   5  -3.158   0.304   3.457
   40   2HB   TYR   5           HB1      TYR   5  -2.682  -0.982   2.347
   41    HD1  TYR   5           HD1      TYR   5  -0.692  -2.430   2.922
   42    HD2  TYR   5           HD2      TYR   5  -2.481   0.275   5.735
   43    HE1  TYR   5           HE1      TYR   5   0.409  -3.641   4.783
   44    HE2  TYR   5           HE2      TYR   5  -1.380  -0.933   7.599
   45    HH   TYR   5           HH       TYR   5   0.921  -2.502   7.670
   46    HA   PRO   6           HA       PRO   6  -1.905   2.836  -1.132
   47   1HB   PRO   6           HB2      PRO   6  -0.851   0.924  -3.009
   48   2HB   PRO   6           HB1      PRO   6  -0.202   2.514  -2.586
   49   1HG   PRO   6           HG2      PRO   6   0.867  -0.058  -1.864
   50   2HG   PRO   6           HG1      PRO   6   1.488   1.536  -1.413
   51   1HD   PRO   6           HD2      PRO   6   0.116  -0.380   0.263
   52   2HD   PRO   6           HD1      PRO   6   0.780   1.200   0.724
   53    H    VAL   7           HN       VAL   7  -4.097   2.652  -1.508
   54    HA   VAL   7           HA       VAL   7  -5.129  -0.015  -2.403
   55    HB   VAL   7           HB       VAL   7  -7.244   0.513  -1.410
   56   1HG1  VAL   7          HG11      VAL   7  -4.942   1.321   0.379
   57   2HG1  VAL   7          HG13      VAL   7  -6.567   0.979   0.969
   58   3HG1  VAL   7          HG12      VAL   7  -5.621  -0.295   0.196
   59   1HG2  VAL   7          HG22      VAL   7  -6.056   3.272  -1.049
   60   2HG2  VAL   7          HG21      VAL   7  -7.504   2.835  -1.955
   61   3HG2  VAL   7          HG23      VAL   7  -7.501   2.740  -0.194
   62    H    ASP   8           HN       ASP   8  -6.580  -0.032  -4.178
   63    HA   ASP   8           HA       ASP   8  -6.105   2.072  -6.117
   64   1HB   ASP   8           HB2      ASP   8  -7.429   0.741  -7.626
   65   2HB   ASP   8           HB1      ASP   8  -6.440  -0.367  -6.674
   66    H    SER   9           HN       SER   9  -8.707   2.143  -7.351
   67    HA   SER   9           HA       SER   9  -9.854   4.348  -5.860
   68   1HB   SER   9           HB2      SER   9 -10.905   4.809  -7.817
   69   2HB   SER   9           HB1      SER   9  -9.879   3.550  -8.496
   70    HG   SER   9           HG       SER   9 -12.498   3.575  -8.341
   71    H    GLY  10           HN       GLY  10 -10.068   1.134  -5.217
   72   1HA   GLY  10           HA2      GLY  10 -12.908   1.377  -4.306
   73   2HA   GLY  10           HA1      GLY  10 -12.162  -0.158  -4.750
   74    H    ASN  11           HN       ASN  11  -9.864   1.665  -3.147
   75    HA   ASN  11           HA       ASN  11  -9.080   1.669  -0.932
   76   1HB   ASN  11           HB2      ASN  11 -11.775   1.856  -0.553
   77   2HB   ASN  11           HB1      ASN  11 -11.456   0.289   0.193
   78   1HD2  ASN  11          HD22      ASN  11 -10.880   3.087   2.698
   79   2HD2  ASN  11          HD21      ASN  11 -12.192   2.714   1.687
   80    H    CYS  12           HN       CYS  12  -8.705  -0.402  -2.817
   81    HA   CYS  12           HA       CYS  12  -8.574  -2.828  -1.085
   82   1HB   CYS  12           HB2      CYS  12  -8.972  -2.386  -3.996
   83   2HB   CYS  12           HB1      CYS  12  -7.961  -3.759  -3.550
   84    H    LYS  13           HN       LYS  13  -6.641  -2.610  -0.048
   85    HA   LYS  13           HA       LYS  13  -4.301  -1.384  -1.102
   86   1HB   LYS  13           HB2      LYS  13  -3.173  -2.881   0.728
   87   2HB   LYS  13           HB1      LYS  13  -4.293  -1.614   1.227
   88   1HG   LYS  13           HG2      LYS  13  -5.643  -4.137   0.597
   89   2HG   LYS  13           HG1      LYS  13  -4.486  -4.293   1.917
   90   1HD   LYS  13           HD2      LYS  13  -5.654  -1.992   2.666
   91   2HD   LYS  13           HD1      LYS  13  -7.003  -2.706   1.783
   92   1HE   LYS  13           HE2      LYS  13  -7.338  -3.589   3.915
   93   2HE   LYS  13           HE1      LYS  13  -6.384  -4.865   3.158
   94   1HZ   LYS  13           HZ2      LYS  13  -5.019  -2.667   4.555
   95   2HZ   LYS  13           HZ1      LYS  13  -5.702  -3.931   5.462
   96   3HZ   LYS  13           HZ3      LYS  13  -4.507  -4.268   4.307
   97    OH   TYR  14           OH       TYR  14  -3.430   1.214  -6.466
   98    H    TYR  14           HN       TYR  14  -2.633  -2.177  -2.358
   99    HA   TYR  14           HA       TYR  14  -3.021  -4.610  -3.848
  100   1HB   TYR  14           HB2      TYR  14  -0.368  -3.192  -3.483
  101   2HB   TYR  14           HB1      TYR  14  -0.917  -4.138  -4.868
  102    HD1  TYR  14           HD2      TYR  14  -3.499  -3.249  -5.547
  103    HD2  TYR  14           HD1      TYR  14  -0.230  -0.921  -4.017
  104    HE1  TYR  14           HE2      TYR  14  -4.465  -1.221  -6.585
  105    HE2  TYR  14           HE1      TYR  14  -1.195   1.112  -5.054
  106    HH   TYR  14           HH       TYR  14  -4.175   0.946  -7.009
  107    H    GLU  15           HN       GLU  15  -2.493  -6.648  -3.257
  108    HA   GLU  15           HA       GLU  15  -1.601  -7.308  -0.642
  109   1HB   GLU  15           HB2      GLU  15  -1.759  -8.806  -3.235
  110   2HB   GLU  15           HB1      GLU  15  -1.016  -9.557  -1.823
  111   1HG   GLU  15           HG2      GLU  15  -3.150 -10.184  -1.320
  112   2HG   GLU  15           HG1      GLU  15  -3.302  -8.529  -0.729
  113    H    CYS  16           HN       CYS  16   0.459  -9.065  -0.722
  114    HA   CYS  16           HA       CYS  16   2.744  -7.998  -2.194
  115   1HB   CYS  16           HB2      CYS  16   4.020  -7.213  -0.317
  116   2HB   CYS  16           HB1      CYS  16   2.455  -6.414  -0.262
  117    H    LEU  17           HN       LEU  17   4.806  -9.186  -1.460
  118    HA   LEU  17           HA       LEU  17   4.219 -11.821  -0.220
  119   1HB   LEU  17           HB2      LEU  17   5.839 -11.748  -2.748
  120   2HB   LEU  17           HB1      LEU  17   4.929 -13.087  -2.047
  121    HG   LEU  17           HG       LEU  17   2.868 -11.477  -2.482
  122   1HD1  LEU  17          HD13      LEU  17   4.685  -9.766  -3.365
  123   2HD1  LEU  17          HD12      LEU  17   4.534 -10.705  -4.850
  124   3HD1  LEU  17          HD11      LEU  17   3.121  -9.899  -4.168
  125   1HD2  LEU  17          HD23      LEU  17   4.322 -13.139  -4.556
  126   2HD2  LEU  17          HD22      LEU  17   3.016 -13.660  -3.492
  127   3HD2  LEU  17          HD21      LEU  17   2.690 -12.515  -4.793
  128    H    LYS  18           HN       LYS  18   6.702  -9.664  -1.603
  129    HA   LYS  18           HA       LYS  18   8.507 -10.544   0.610
  130   1HB   LYS  18           HB2      LYS  18   9.176 -10.197  -2.322
  131   2HB   LYS  18           HB1      LYS  18  10.410 -10.224  -1.063
  132   1HG   LYS  18           HG2      LYS  18   8.374 -12.426  -1.139
  133   2HG   LYS  18           HG1      LYS  18   9.711 -12.459  -2.289
  134   1HD   LYS  18           HD2      LYS  18  10.874 -11.802   0.188
  135   2HD   LYS  18           HD1      LYS  18   9.728 -13.095   0.537
  136   1HE   LYS  18           HE2      LYS  18  10.824 -14.623  -0.823
  137   2HE   LYS  18           HE1      LYS  18  11.505 -13.369  -1.858
  138   1HZ   LYS  18           HZ3      LYS  18  12.339 -13.374   0.933
  139   2HZ   LYS  18           HZ2      LYS  18  12.925 -14.637  -0.039
  140   3HZ   LYS  18           HZ1      LYS  18  13.232 -13.021  -0.465
  141    H    ASP  19           HN       ASP  19  10.592  -8.835   0.235
  142    HA   ASP  19           HA       ASP  19   9.351  -6.237   0.866
  143   1HB   ASP  19           HB2      ASP  19  11.076  -6.865   2.378
  144   2HB   ASP  19           HB1      ASP  19  12.156  -7.343   1.070
  145    H    ASP  20           HN       ASP  20  11.236  -7.732  -1.709
  146    HA   ASP  20           HA       ASP  20  11.986  -5.267  -2.999
  147   1HB   ASP  20           HB2      ASP  20  12.641  -6.711  -4.824
  148   2HB   ASP  20           HB1      ASP  20  13.121  -7.478  -3.322
  149    OH   TYR  21           OH       TYR  21   1.795  -5.854  -6.367
  150    H    TYR  21           HN       TYR  21   9.211  -7.484  -3.303
  151    HA   TYR  21           HA       TYR  21   8.132  -6.319  -5.684
  152   1HB   TYR  21           HB2      TYR  21   7.204  -8.406  -4.927
  153   2HB   TYR  21           HB1      TYR  21   6.808  -7.729  -3.348
  154    HD1  TYR  21           HD2      TYR  21   6.161  -7.015  -6.986
  155    HD2  TYR  21           HD1      TYR  21   4.600  -7.045  -2.980
  156    HE1  TYR  21           HE2      TYR  21   3.947  -6.293  -7.839
  157    HE2  TYR  21           HE1      TYR  21   2.390  -6.320  -3.836
  158    HH   TYR  21           HH       TYR  21   1.872  -5.710  -7.313
  159    H    CYS  22           HN       CYS  22   7.418  -5.696  -2.245
  160    HA   CYS  22           HA       CYS  22   5.610  -3.545  -2.667
  161   1HB   CYS  22           HB2      CYS  22   7.495  -4.122  -0.375
  162   2HB   CYS  22           HB1      CYS  22   6.250  -2.878  -0.335
  163    H    ASN  23           HN       ASN  23   9.114  -3.481  -2.058
  164    HA   ASN  23           HA       ASN  23   9.511  -0.685  -2.082
  165   1HB   ASN  23           HB2      ASN  23  11.186  -2.620  -1.719
  166   2HB   ASN  23           HB1      ASN  23  11.348  -2.661  -3.459
  167   1HD2  ASN  23          HD22      ASN  23  12.305   1.092  -2.731
  168   2HD2  ASN  23          HD21      ASN  23  10.730   0.506  -2.927
  169    H    ASP  24           HN       ASP  24   9.333  -2.982  -4.739
  170    HA   ASP  24           HA       ASP  24   9.888  -1.094  -6.842
  171   1HB   ASP  24           HB2      ASP  24  10.004  -3.582  -7.096
  172   2HB   ASP  24           HB1      ASP  24   8.250  -3.643  -7.012
  173    H    LEU  25           HN       LEU  25   6.761  -2.743  -6.442
  174    HA   LEU  25           HA       LEU  25   5.149  -0.980  -7.827
  175   1HB   LEU  25           HB2      LEU  25   4.156  -2.965  -6.946
  176   2HB   LEU  25           HB1      LEU  25   4.600  -2.542  -5.294
  177    HG   LEU  25           HG       LEU  25   3.029  -0.397  -6.308
  178   1HD1  LEU  25          HD12      LEU  25   1.963  -3.161  -6.912
  179   2HD1  LEU  25          HD11      LEU  25   0.900  -1.773  -6.679
  180   3HD1  LEU  25          HD13      LEU  25   2.068  -1.777  -8.001
  181   1HD2  LEU  25          HD21      LEU  25   3.246  -2.074  -4.036
  182   2HD2  LEU  25          HD23      LEU  25   2.260  -0.619  -4.196
  183   3HD2  LEU  25          HD22      LEU  25   1.573  -2.198  -4.579
  184    H    CYS  26           HN       CYS  26   6.424  -0.599  -4.598
  185    HA   CYS  26           HA       CYS  26   4.958   1.670  -3.779
  186   1HB   CYS  26           HB2      CYS  26   7.563   0.396  -3.029
  187   2HB   CYS  26           HB1      CYS  26   7.187   1.963  -2.376
  188    H    LEU  27           HN       LEU  27   8.157   1.357  -5.288
  189    HA   LEU  27           HA       LEU  27   8.702   4.118  -5.456
  190   1HB   LEU  27           HB2      LEU  27  10.683   3.399  -6.264
  191   2HB   LEU  27           HB1      LEU  27  10.064   1.773  -6.008
  192    HG   LEU  27           HG       LEU  27   8.972   2.167  -8.372
  193   1HD1  LEU  27          HD13      LEU  27  10.603   4.494  -8.025
  194   2HD1  LEU  27          HD12      LEU  27  11.293   3.520  -9.324
  195   3HD1  LEU  27          HD11      LEU  27   9.614   4.054  -9.417
  196   1HD2  LEU  27          HD23      LEU  27  11.670   1.267  -7.516
  197   2HD2  LEU  27          HD22      LEU  27  10.418   0.382  -8.388
  198   3HD2  LEU  27          HD21      LEU  27  11.459   1.516  -9.249
  199    H    GLU  28           HN       GLU  28   6.920   1.966  -7.598
  200    HA   GLU  28           HA       GLU  28   6.745   3.826  -9.759
  201   1HB   GLU  28           HB2      GLU  28   5.900   1.174  -9.276
  202   2HB   GLU  28           HB1      GLU  28   4.446   2.095  -9.660
  203   1HG   GLU  28           HG2      GLU  28   5.380   1.272 -11.739
  204   2HG   GLU  28           HG1      GLU  28   5.647   3.014 -11.673
  205    NH1  ARG  29           NH2      ARG  29  -0.985   2.114  -8.301
  206    NH2  ARG  29           NH1      ARG  29   0.300   1.975 -10.154
  207    H    ARG  29           HN       ARG  29   5.066   3.450  -6.776
  208    HA   ARG  29           HA       ARG  29   2.860   5.181  -7.577
  209   1HB   ARG  29           HB2      ARG  29   3.506   4.223  -4.788
  210   2HB   ARG  29           HB1      ARG  29   1.950   4.791  -5.396
  211   1HG   ARG  29           HG2      ARG  29   3.224   2.502  -6.811
  212   2HG   ARG  29           HG1      ARG  29   2.517   2.183  -5.227
  213   1HD   ARG  29           HD2      ARG  29   0.515   2.042  -6.259
  214   2HD   ARG  29           HD1      ARG  29   0.629   3.774  -6.558
  215    HE   ARG  29           HE       ARG  29   2.104   2.639  -8.617
  216   1HH1  ARG  29          HH21      ARG  29  -1.079   2.298  -7.323
  217   2HH1  ARG  29          HH22      ARG  29  -1.785   1.851  -8.840
  218   1HH2  ARG  29          HH11      ARG  29   1.193   2.052 -10.597
  219   2HH2  ARG  29          HH12      ARG  29  -0.503   1.713 -10.689
  220    H    LYS  30           HN       LYS  30   6.004   5.670  -6.616
  221    HA   LYS  30           HA       LYS  30   6.984   7.879  -6.482
  222   1HB   LYS  30           HB2      LYS  30   5.795   9.789  -5.902
  223   2HB   LYS  30           HB1      LYS  30   4.516   8.810  -6.610
  224   1HG   LYS  30           HG2      LYS  30   3.396   9.157  -4.672
  225   2HG   LYS  30           HG1      LYS  30   4.513   7.999  -3.955
  226   1HD   LYS  30           HD2      LYS  30   4.395  10.145  -2.681
  227   2HD   LYS  30           HD1      LYS  30   6.016   9.800  -3.282
  228   1HE   LYS  30           HE2      LYS  30   6.016  11.753  -4.398
  229   2HE   LYS  30           HE1      LYS  30   4.606  11.228  -5.319
  230   1HZ   LYS  30           HZ3      LYS  30   3.269  11.916  -3.311
  231   2HZ   LYS  30           HZ2      LYS  30   4.670  12.695  -2.749
  232   3HZ   LYS  30           HZ1      LYS  30   3.958  13.174  -4.215
  233    H    ALA  31           HN       ALA  31   5.944   5.625  -4.300
  234    HA   ALA  31           HA       ALA  31   6.730   6.880  -1.829
  235   1HB   ALA  31           HB1      ALA  31   5.638   4.396  -2.608
  236   2HB   ALA  31           HB3      ALA  31   7.147   4.033  -1.768
  237   3HB   ALA  31           HB2      ALA  31   5.900   4.991  -0.968
  238    H    ASP  32           HN       ASP  32   8.684   6.647  -0.688
  239    HA   ASP  32           HA       ASP  32  11.033   6.380  -2.370
  240   1HB   ASP  32           HB2      ASP  32  10.445   8.008  -0.319
  241   2HB   ASP  32           HB1      ASP  32  11.242   6.719   0.566
  242    H    LYS  33           HN       LYS  33   9.660   4.821   0.512
  243    HA   LYS  33           HA       LYS  33  11.194   2.360  -0.197
  244   1HB   LYS  33           HB2      LYS  33  12.538   3.427   1.504
  245   2HB   LYS  33           HB1      LYS  33  11.122   3.718   2.511
  246   1HG   LYS  33           HG2      LYS  33  10.940   1.026   2.212
  247   2HG   LYS  33           HG1      LYS  33  12.689   1.232   2.124
  248   1HD   LYS  33           HD2      LYS  33  11.579   2.880   4.230
  249   2HD   LYS  33           HD1      LYS  33  11.117   1.192   4.454
  250   1HE   LYS  33           HE2      LYS  33  13.315   1.778   5.527
  251   2HE   LYS  33           HE1      LYS  33  13.435   0.482   4.336
  252   1HZ   LYS  33           HZ1      LYS  33  13.739   2.842   2.936
  253   2HZ   LYS  33           HZ3      LYS  33  14.681   3.026   4.334
  254   3HZ   LYS  33           HZ2      LYS  33  14.947   1.704   3.301
  255    H    GLY  34           HN       GLY  34  10.099   0.418   0.353
  256   1HA   GLY  34           HA2      GLY  34   7.745   0.457   2.061
  257   2HA   GLY  34           HA1      GLY  34   7.330   0.338   0.355
  258    OH   TYR  35           OH       TYR  35   6.148  -1.791   7.960
  259    H    TYR  35           HN       TYR  35   7.160  -1.636   2.677
  260    HA   TYR  35           HA       TYR  35   8.531  -3.879   1.255
  261   1HB   TYR  35           HB2      TYR  35   8.869  -4.966   3.470
  262   2HB   TYR  35           HB1      TYR  35   9.776  -3.472   3.304
  263    HD1  TYR  35           HD1      TYR  35   9.077  -1.423   4.488
  264    HD2  TYR  35           HD2      TYR  35   6.950  -5.125   4.960
  265    HE1  TYR  35           HE1      TYR  35   7.928  -0.512   6.482
  266    HE2  TYR  35           HE2      TYR  35   5.801  -4.212   6.956
  267    HH   TYR  35           HH       TYR  35   5.890  -2.527   8.520
  268    H    CYS  36           HN       CYS  36   7.576  -6.007   2.351
  269    HA   CYS  36           HA       CYS  36   4.655  -5.840   1.922
  270   1HB   CYS  36           HB2      CYS  36   5.749  -7.463   0.598
  271   2HB   CYS  36           HB1      CYS  36   6.680  -8.068   1.958
  272    OH   TYR  37           OH       TYR  37   1.827  -5.516  11.798
  273    H    TYR  37           HN       TYR  37   3.559  -5.396   3.746
  274    HA   TYR  37           HA       TYR  37   4.447  -6.423   6.352
  275   1HB   TYR  37           HB2      TYR  37   3.352  -4.156   6.013
  276   2HB   TYR  37           HB1      TYR  37   1.848  -5.009   5.674
  277    HD1  TYR  37           HD1      TYR  37   4.586  -4.846   8.232
  278    HD2  TYR  37           HD2      TYR  37   0.420  -5.547   7.460
  279    HE1  TYR  37           HE1      TYR  37   4.171  -5.041  10.668
  280    HE2  TYR  37           HE2      TYR  37   0.002  -5.745   9.898
  281    HH   TYR  37           HH       TYR  37   2.158  -4.721  12.222
  282    CH2  TRP  38           CH2      TRP  38   2.614 -15.495   3.429
  283    H    TRP  38           HN       TRP  38   4.240  -8.642   6.307
  284    HA   TRP  38           HA       TRP  38   2.173 -10.102   5.048
  285   1HB   TRP  38           HB2      TRP  38   4.322 -10.673   6.960
  286   2HB   TRP  38           HB1      TRP  38   2.919 -11.713   7.168
  287    HD1  TRP  38           HD1      TRP  38   5.434 -10.644   4.468
  288    HE1  TRP  38           HE1      TRP  38   5.517 -12.495   2.672
  289    HE3  TRP  38           HE3      TRP  38   1.714 -13.686   6.176
  290    HZ2  TRP  38           HZ2      TRP  38   4.172 -14.947   2.046
  291    HZ3  TRP  38           HZ3      TRP  38   1.132 -15.769   4.968
  292    HH2  TRP  38           HH2      TRP  38   2.355 -16.404   2.906
  293    H    GLY  39           HN       GLY  39   2.086 -10.988   8.383
  294   1HA   GLY  39           HA2      GLY  39   0.178 -11.153   9.757
  295   2HA   GLY  39           HA1      GLY  39   0.153  -9.399   9.547
  296    H    LYS  40           HN       LYS  40  -0.196 -11.499   6.789
  297    HA   LYS  40           HA       LYS  40  -1.955 -11.717   5.263
  298   1HB   LYS  40           HB2      LYS  40  -3.493 -11.686   7.876
  299   2HB   LYS  40           HB1      LYS  40  -4.213 -12.079   6.314
  300   1HG   LYS  40           HG2      LYS  40  -3.021 -14.070   6.109
  301   2HG   LYS  40           HG1      LYS  40  -1.733 -13.527   7.186
  302   1HD   LYS  40           HD2      LYS  40  -3.102 -13.818   9.124
  303   2HD   LYS  40           HD1      LYS  40  -4.557 -14.026   8.149
  304   1HE   LYS  40           HE2      LYS  40  -3.926 -16.173   7.434
  305   2HE   LYS  40           HE1      LYS  40  -2.226 -15.903   7.818
  306   1HZ   LYS  40           HZ3      LYS  40  -4.333 -15.945   9.895
  307   2HZ   LYS  40           HZ2      LYS  40  -3.516 -17.351   9.402
  308   3HZ   LYS  40           HZ1      LYS  40  -2.655 -16.066  10.103
  309    H    VAL  41           HN       VAL  41  -1.072  -9.216   5.153
  310    HA   VAL  41           HA       VAL  41  -3.574  -7.604   5.155
  311    HB   VAL  41           HB       VAL  41  -0.987  -6.191   5.675
  312   1HG1  VAL  41          HG11      VAL  41  -3.906  -5.848   6.313
  313   2HG1  VAL  41          HG13      VAL  41  -2.676  -4.939   7.190
  314   3HG1  VAL  41          HG12      VAL  41  -2.833  -4.751   5.444
  315   1HG2  VAL  41          HG22      VAL  41  -2.157  -8.225   7.421
  316   2HG2  VAL  41          HG21      VAL  41  -0.588  -7.428   7.524
  317   3HG2  VAL  41          HG23      VAL  41  -2.021  -6.650   8.196
  318    H    SER  42           HN       SER  42  -0.350  -6.457   4.088
  319    HA   SER  42           HA       SER  42  -0.741  -7.113   1.309
  320   1HB   SER  42           HB2      SER  42  -1.105  -4.263   1.287
  321   2HB   SER  42           HB1      SER  42  -2.149  -5.507   0.601
  322    HG   SER  42           HG       SER  42  -2.696  -3.977   2.612
  323    H    CYS  43           HN       CYS  43   0.357  -4.838   0.162
  324    HA   CYS  43           HA       CYS  43   3.152  -5.049   0.943
  325   1HB   CYS  43           HB2      CYS  43   1.602  -3.957  -1.278
  326   2HB   CYS  43           HB1      CYS  43   2.845  -2.828  -0.757
  327    OH   TYR  44           OH       TYR  44   1.712   2.101   7.520
  328    H    TYR  44           HN       TYR  44   4.229  -2.623   0.984
  329    HA   TYR  44           HA       TYR  44   2.573  -0.743   2.507
  330   1HB   TYR  44           HB2      TYR  44   3.651  -2.586   4.085
  331   2HB   TYR  44           HB1      TYR  44   5.075  -1.556   3.921
  332    HD1  TYR  44           HD1      TYR  44   4.788   0.975   4.358
  333    HD2  TYR  44           HD2      TYR  44   1.897  -1.977   5.513
  334    HE1  TYR  44           HE1      TYR  44   3.790   2.579   5.954
  335    HE2  TYR  44           HE2      TYR  44   0.888  -0.374   7.095
  336    HH   TYR  44           HH       TYR  44   0.965   1.671   7.941
  337    H    CYS  45           HN       CYS  45   3.140   1.213   1.736
  338    HA   CYS  45           HA       CYS  45   5.937   1.524   0.734
  339   1HB   CYS  45           HB2      CYS  45   3.483   3.173   0.096
  340   2HB   CYS  45           HB1      CYS  45   5.079   3.401  -0.590
  341    OH   TYR  46           OH       TYR  46   6.389   0.574   7.354
  342    H    TYR  46           HN       TYR  46   6.722   3.843   0.940
  343    HA   TYR  46           HA       TYR  46   5.784   5.213   3.395
  344   1HB   TYR  46           HB2      TYR  46   8.599   4.195   2.914
  345   2HB   TYR  46           HB1      TYR  46   8.225   5.443   4.098
  346    HD1  TYR  46           HD1      TYR  46   7.456   1.924   3.129
  347    HD2  TYR  46           HD2      TYR  46   7.381   4.877   6.233
  348    HE1  TYR  46           HE1      TYR  46   6.831   0.177   4.775
  349    HE2  TYR  46           HE2      TYR  46   6.739   3.142   7.883
  350    HH   TYR  46           HH       TYR  46   5.576   0.850   7.784
  351    H    GLY  47           HN       GLY  47   5.213   7.089   2.320
  352   1HA   GLY  47           HA2      GLY  47   6.464   9.262   1.717
  353   2HA   GLY  47           HA1      GLY  47   7.240   8.282   0.477
  354    H    LEU  48           HN       LEU  48   3.976   7.403   1.028
  355    HA   LEU  48           HA       LEU  48   3.205   8.210  -1.636
  356   1HB   LEU  48           HB2      LEU  48   1.433   7.373   0.683
  357   2HB   LEU  48           HB1      LEU  48   0.995   7.365  -1.027
  358    HG   LEU  48           HG       LEU  48   3.193   5.706   0.250
  359   1HD1  LEU  48          HD13      LEU  48   0.447   5.277   0.220
  360   2HD1  LEU  48          HD12      LEU  48   1.024   4.346  -1.162
  361   3HD1  LEU  48          HD11      LEU  48   1.682   4.037   0.444
  362   1HD2  LEU  48          HD21      LEU  48   2.164   5.826  -2.605
  363   2HD2  LEU  48          HD23      LEU  48   3.741   6.391  -2.053
  364   3HD2  LEU  48          HD22      LEU  48   3.351   4.671  -1.999
  365    HA   PRO  49           HA       PRO  49   1.883  12.336  -1.063
  366   1HB   PRO  49           HB2      PRO  49  -0.661  11.946  -2.389
  367   2HB   PRO  49           HB1      PRO  49   0.794  12.727  -3.019
  368   1HG   PRO  49           HG2      PRO  49  -0.256  10.168  -3.767
  369   2HG   PRO  49           HG1      PRO  49   1.253  10.910  -4.317
  370   1HD   PRO  49           HD2      PRO  49   0.924   8.679  -2.504
  371   2HD   PRO  49           HD1      PRO  49   2.436   9.395  -3.095
  372    H    ASP  50           HN       ASP  50   0.371  13.586   0.234
  373    HA   ASP  50           HA       ASP  50  -0.703  12.317   2.481
  374   1HB   ASP  50           HB2      ASP  50  -0.780  14.979   1.304
  375   2HB   ASP  50           HB1      ASP  50  -2.250  14.578   2.177
  376    H    ASN  51           HN       ASN  51  -2.451  13.566  -0.318
  377    HA   ASN  51           HA       ASN  51  -4.945  12.436   0.436
  378   1HB   ASN  51           HB2      ASN  51  -5.495  12.906  -2.004
  379   2HB   ASN  51           HB1      ASN  51  -4.992  14.293  -1.053
  380   1HD2  ASN  51          HD22      ASN  51  -2.947  14.607  -4.058
  381   2HD2  ASN  51          HD21      ASN  51  -4.530  14.920  -3.531
  382    H    SER  52           HN       SER  52  -2.138  11.062  -0.814
  383    HA   SER  52           HA       SER  52  -2.783   9.112  -2.629
  384   1HB   SER  52           HB2      SER  52  -0.575   9.401  -1.409
  385   2HB   SER  52           HB1      SER  52  -1.274   8.470  -0.085
  386    HG   SER  52           HG       SER  52  -1.498   7.441  -2.667
  387    HA   PRO  53           HA       PRO  53  -6.353   7.297  -0.562
  388   1HB   PRO  53           HB2      PRO  53  -6.521   5.463  -2.787
  389   2HB   PRO  53           HB1      PRO  53  -7.589   6.820  -2.402
  390   1HG   PRO  53           HG2      PRO  53  -5.662   6.674  -4.527
  391   2HG   PRO  53           HG1      PRO  53  -6.678   8.053  -4.088
  392   1HD   PRO  53           HD2      PRO  53  -3.831   7.748  -3.690
  393   2HD   PRO  53           HD1      PRO  53  -4.848   9.147  -3.293
  394    H    THR  54           HN       THR  54  -5.676   6.012   1.109
  395    HA   THR  54           HA       THR  54  -4.479   3.368   0.417
  396    HB   THR  54           HB       THR  54  -2.875   3.531   2.182
  397    HG1  THR  54           HG1      THR  54  -3.210   4.740   3.853
  398   1HG2  THR  54          HG23      THR  54  -2.935   5.414   0.086
  399   2HG2  THR  54          HG22      THR  54  -2.435   6.310   1.520
  400   3HG2  THR  54          HG21      THR  54  -1.525   4.890   1.005
  401    H    LYS  55           HN       LYS  55  -4.932   1.729   2.153
  402    HA   LYS  55           HA       LYS  55  -7.584   1.609   2.951
  403   1HB   LYS  55           HB2      LYS  55  -6.448  -0.410   3.262
  404   2HB   LYS  55           HB1      LYS  55  -5.069   0.365   4.034
  405   1HG   LYS  55           HG2      LYS  55  -6.421  -0.940   5.658
  406   2HG   LYS  55           HG1      LYS  55  -6.407   0.779   6.055
  407   1HD   LYS  55           HD2      LYS  55  -8.691  -0.160   6.220
  408   2HD   LYS  55           HD1      LYS  55  -8.587   1.065   4.955
  409   1HE   LYS  55           HE2      LYS  55  -7.893  -1.468   3.814
  410   2HE   LYS  55           HE1      LYS  55  -9.412  -1.648   4.690
  411   1HZ   LYS  55           HZ2      LYS  55  -9.494   0.784   3.327
  412   2HZ   LYS  55           HZ1      LYS  55  -8.963  -0.393   2.221
  413   3HZ   LYS  55           HZ3      LYS  55 -10.429  -0.602   3.044
  414    H    THR  56           HN       THR  56  -8.737   2.966   4.291
  415    HA   THR  56           HA       THR  56  -7.638   3.813   6.843
  416    HB   THR  56           HB       THR  56  -7.758   5.710   4.523
  417    HG1  THR  56           HG1      THR  56  -5.698   5.872   4.942
  418   1HG2  THR  56          HG22      THR  56  -8.214   6.268   7.430
  419   2HG2  THR  56          HG21      THR  56  -7.322   7.443   6.463
  420   3HG2  THR  56          HG23      THR  56  -8.972   7.004   6.018
  421    H    SER  57           HN       SER  57  -9.922   5.161   4.521
  422    HA   SER  57           HA       SER  57 -11.887   5.614   6.578
  423   1HB   SER  57           HB2      SER  57 -13.020   6.873   5.013
  424   2HB   SER  57           HB1      SER  57 -11.407   6.901   4.307
  425    HG   SER  57           HG       SER  57 -13.197   6.266   2.883
  426    H    GLY  58           HN       GLY  58 -11.396   2.873   6.541
  427   1HA   GLY  58           HA2      GLY  58 -13.294   1.296   6.940
  428   2HA   GLY  58           HA1      GLY  58 -13.965   1.855   5.408
  429    H    LYS  59           HN       LYS  59 -13.930  -0.565   5.049
  430    HA   LYS  59           HA       LYS  59 -11.254  -1.631   4.332
  431   1HB   LYS  59           HB2      LYS  59 -12.425  -3.779   4.110
  432   2HB   LYS  59           HB1      LYS  59 -12.809  -3.040   5.663
  433   1HG   LYS  59           HG2      LYS  59 -14.998  -3.040   5.147
  434   2HG   LYS  59           HG1      LYS  59 -14.667  -2.060   3.718
  435   1HD   LYS  59           HD2      LYS  59 -15.206  -3.829   2.444
  436   2HD   LYS  59           HD1      LYS  59 -13.792  -4.667   3.086
  437   1HE   LYS  59           HE2      LYS  59 -15.026  -5.836   4.656
  438   2HE   LYS  59           HE1      LYS  59 -16.267  -4.587   4.761
  439   1HZ   LYS  59           HZ1      LYS  59 -16.485  -5.373   2.208
  440   2HZ   LYS  59           HZ3      LYS  59 -16.056  -6.833   2.957
  441   3HZ   LYS  59           HZ2      LYS  59 -17.430  -5.981   3.480
  442    H    CYS  60           HN       CYS  60 -12.537  -3.441   2.311
  443    HA   CYS  60           HA       CYS  60 -12.704  -1.439   0.101
  444   1HB   CYS  60           HB2      CYS  60 -10.882  -3.355   0.275
  445   2HB   CYS  60           HB1      CYS  60 -12.179  -4.350  -0.384
  446    H    ASN  61           HN       ASN  61 -14.838  -1.095  -0.387
  447    HA   ASN  61           HA       ASN  61 -16.892  -3.081   0.040
  448   1HB   ASN  61           HB2      ASN  61 -17.265  -0.723  -1.769
  449   2HB   ASN  61           HB1      ASN  61 -18.357  -1.401  -0.573
  450   1HD2  ASN  61          HD22      ASN  61 -16.309   1.753   0.549
  451   2HD2  ASN  61          HD21      ASN  61 -16.763   1.368  -1.040
  452    HA   PRO  62           HA       PRO  62 -16.600  -5.298  -3.745
  453   1HB   PRO  62           HB2      PRO  62 -19.422  -5.726  -3.943
  454   2HB   PRO  62           HB1      PRO  62 -18.208  -6.834  -3.291
  455   1HG   PRO  62           HG2      PRO  62 -20.204  -5.337  -1.830
  456   2HG   PRO  62           HG1      PRO  62 -19.012  -6.477  -1.189
  457   1HD   PRO  62           HD2      PRO  62 -19.013  -3.598  -0.960
  458   2HD   PRO  62           HD1      PRO  62 -17.827  -4.745  -0.303
  459    H    ALA  63           HN       ALA  63 -16.077  -3.655  -5.272
  460    HA   ALA  63           HA       ALA  63 -18.334  -2.748  -6.937
  461   1HB   ALA  63           HB1      ALA  63 -17.762  -1.022  -5.034
  462   2HB   ALA  63           HB3      ALA  63 -16.379  -0.642  -6.061
  463   3HB   ALA  63           HB2      ALA  63 -18.018  -0.449  -6.681
   
  Start of MODEL          20
 Raw file had  463 H/Q atoms
  Start of MODEL   20
    1   1H    LYS   1           HT3      LYS   1   3.755  14.477   2.974
    2   2H    LYS   1           HT2      LYS   1   3.230  14.640   1.367
    3   3H    LYS   1           HT1      LYS   1   2.170  14.042   2.554
    4    HA   LYS   1           HA       LYS   1   2.949  12.216   1.227
    5   1HB   LYS   1           HB2      LYS   1   5.466  11.732   1.398
    6   2HB   LYS   1           HB1      LYS   1   4.995  13.062   0.340
    7   1HG   LYS   1           HG2      LYS   1   5.714  14.696   1.857
    8   2HG   LYS   1           HG1      LYS   1   5.637  13.593   3.232
    9   1HD   LYS   1           HD2      LYS   1   7.533  12.305   2.282
   10   2HD   LYS   1           HD1      LYS   1   7.635  13.462   0.956
   11   1HE   LYS   1           HE2      LYS   1   7.926  14.172   3.889
   12   2HE   LYS   1           HE1      LYS   1   9.268  13.961   2.765
   13   1HZ   LYS   1           HZ3      LYS   1   7.428  15.692   1.584
   14   2HZ   LYS   1           HZ2      LYS   1   7.678  16.235   3.175
   15   3HZ   LYS   1           HZ1      LYS   1   8.997  16.045   2.120
   16    H    LYS   2           HN       LYS   2   3.290  10.154   2.286
   17    HA   LYS   2           HA       LYS   2   4.314   9.984   4.976
   18   1HB   LYS   2           HB2      LYS   2   2.379   9.879   6.278
   19   2HB   LYS   2           HB1      LYS   2   1.978  11.166   5.145
   20   1HG   LYS   2           HG2      LYS   2   1.199   8.255   4.780
   21   2HG   LYS   2           HG1      LYS   2   0.131   9.502   5.421
   22   1HD   LYS   2           HD2      LYS   2   1.234  10.539   3.023
   23   2HD   LYS   2           HD1      LYS   2   0.717   8.888   2.672
   24   1HE   LYS   2           HE2      LYS   2  -1.275  10.155   4.306
   25   2HE   LYS   2           HE1      LYS   2  -0.916  11.201   2.934
   26   1HZ   LYS   2           HZ3      LYS   2  -1.092   9.055   1.576
   27   2HZ   LYS   2           HZ2      LYS   2  -1.895   8.419   2.932
   28   3HZ   LYS   2           HZ1      LYS   2  -2.527   9.772   2.124
   29    H    ASP   3           HN       ASP   3   4.188   7.773   5.821
   30    HA   ASP   3           HA       ASP   3   4.087   5.778   3.659
   31   1HB   ASP   3           HB2      ASP   3   4.458   5.049   6.534
   32   2HB   ASP   3           HB1      ASP   3   5.277   4.414   5.109
   33    H    GLY   4           HN       GLY   4   2.842   3.638   4.289
   34   1HA   GLY   4           HA2      GLY   4   0.856   3.297   6.111
   35   2HA   GLY   4           HA1      GLY   4   0.116   4.478   5.040
   36    OH   TYR   5           OH       TYR   5   0.234  -4.002   6.664
   37    H    TYR   5           HN       TYR   5  -1.470   2.765   4.691
   38    HA   TYR   5           HA       TYR   5  -0.540   0.589   2.879
   39   1HB   TYR   5           HB2      TYR   5  -2.859   0.927   4.743
   40   2HB   TYR   5           HB1      TYR   5  -3.092  -0.079   3.319
   41    HD1  TYR   5           HD1      TYR   5  -0.148  -1.095   3.185
   42    HD2  TYR   5           HD2      TYR   5  -3.012  -0.818   6.376
   43    HE1  TYR   5           HE1      TYR   5   0.972  -2.963   4.353
   44    HE2  TYR   5           HE2      TYR   5  -1.893  -2.701   7.539
   45    HH   TYR   5           HH       TYR   5   1.144  -4.040   6.359
   46    HA   PRO   6           HA       PRO   6  -2.191   3.711  -0.054
   47   1HB   PRO   6           HB2      PRO   6  -1.022   2.038  -2.095
   48   2HB   PRO   6           HB1      PRO   6  -0.525   3.658  -1.585
   49   1HG   PRO   6           HG2      PRO   6   0.770   1.128  -1.005
   50   2HG   PRO   6           HG1      PRO   6   1.311   2.757  -0.580
   51   1HD   PRO   6           HD2      PRO   6   0.314   0.791   1.213
   52   2HD   PRO   6           HD1      PRO   6   0.630   2.496   1.573
   53    H    VAL   7           HN       VAL   7  -4.349   3.370  -0.327
   54    HA   VAL   7           HA       VAL   7  -5.221   0.735  -1.444
   55    HB   VAL   7           HB       VAL   7  -7.460   1.287  -0.563
   56   1HG1  VAL   7          HG12      VAL   7  -5.229   0.432   0.847
   57   2HG1  VAL   7          HG11      VAL   7  -5.912   1.685   1.873
   58   3HG1  VAL   7          HG13      VAL   7  -6.902   0.313   1.395
   59   1HG2  VAL   7          HG23      VAL   7  -6.122   3.863  -0.098
   60   2HG2  VAL   7          HG22      VAL   7  -7.841   3.503  -0.249
   61   3HG2  VAL   7          HG21      VAL   7  -7.026   3.284   1.301
   62    H    ASP   8           HN       ASP   8  -6.459   0.748  -3.352
   63    HA   ASP   8           HA       ASP   8  -6.234   3.091  -5.036
   64   1HB   ASP   8           HB2      ASP   8  -7.689   1.797  -6.607
   65   2HB   ASP   8           HB1      ASP   8  -6.313   0.857  -6.033
   66    H    SER   9           HN       SER   9  -8.844   3.195  -6.222
   67    HA   SER   9           HA       SER   9 -10.134   5.018  -4.389
   68   1HB   SER   9           HB2      SER   9 -11.782   5.309  -6.106
   69   2HB   SER   9           HB1      SER   9 -10.240   5.109  -6.932
   70    HG   SER   9           HG       SER   9 -11.064   2.706  -6.682
   71    H    GLY  10           HN       GLY  10 -10.188   1.632  -4.671
   72   1HA   GLY  10           HA2      GLY  10 -12.919   1.387  -3.555
   73   2HA   GLY  10           HA1      GLY  10 -11.879   0.046  -4.039
   74    H    ASN  11           HN       ASN  11  -9.986   2.161  -2.307
   75    HA   ASN  11           HA       ASN  11  -9.161   2.131  -0.120
   76   1HB   ASN  11           HB2      ASN  11 -11.948   2.009   0.158
   77   2HB   ASN  11           HB1      ASN  11 -11.343   0.691   1.163
   78   1HD2  ASN  11          HD22      ASN  11 -11.000   3.290   3.602
   79   2HD2  ASN  11          HD21      ASN  11 -11.994   2.013   3.089
   80    H    CYS  12           HN       CYS  12  -8.709   0.030  -1.978
   81    HA   CYS  12           HA       CYS  12  -8.499  -2.359  -0.224
   82   1HB   CYS  12           HB2      CYS  12  -8.267  -2.085  -3.235
   83   2HB   CYS  12           HB1      CYS  12  -8.194  -3.590  -2.331
   84    H    LYS  13           HN       LYS  13  -6.510  -2.689   0.621
   85    HA   LYS  13           HA       LYS  13  -4.219  -1.118  -0.186
   86   1HB   LYS  13           HB2      LYS  13  -4.840  -2.343   2.106
   87   2HB   LYS  13           HB1      LYS  13  -3.883  -3.638   1.384
   88   1HG   LYS  13           HG2      LYS  13  -2.931  -0.774   1.614
   89   2HG   LYS  13           HG1      LYS  13  -2.541  -2.032   2.787
   90   1HD   LYS  13           HD2      LYS  13  -0.831  -2.670   1.478
   91   2HD   LYS  13           HD1      LYS  13  -1.980  -3.108   0.220
   92   1HE   LYS  13           HE2      LYS  13  -1.870  -0.927  -0.755
   93   2HE   LYS  13           HE1      LYS  13  -1.013  -0.277   0.633
   94   1HZ   LYS  13           HZ1      LYS  13   0.289  -2.529  -0.597
   95   2HZ   LYS  13           HZ3      LYS  13   0.149  -1.187  -1.624
   96   3HZ   LYS  13           HZ2      LYS  13   0.930  -1.030  -0.123
   97    OH   TYR  14           OH       TYR  14  -3.632   2.178  -5.892
   98    H    TYR  14           HN       TYR  14  -3.025  -1.537  -1.989
   99    HA   TYR  14           HA       TYR  14  -3.260  -3.702  -3.717
  100   1HB   TYR  14           HB2      TYR  14  -0.626  -2.351  -3.043
  101   2HB   TYR  14           HB1      TYR  14  -1.022  -3.200  -4.537
  102    HD1  TYR  14           HD2      TYR  14  -2.547  -2.236  -6.185
  103    HD2  TYR  14           HD1      TYR  14  -1.597  -0.154  -2.547
  104    HE1  TYR  14           HE2      TYR  14  -3.509  -0.153  -7.124
  105    HE2  TYR  14           HE1      TYR  14  -2.558   1.926  -3.490
  106    HH   TYR  14           HH       TYR  14  -3.813   2.027  -6.823
  107    H    GLU  15           HN       GLU  15  -2.485  -5.805  -3.787
  108    HA   GLU  15           HA       GLU  15  -1.518  -6.896  -1.226
  109   1HB   GLU  15           HB2      GLU  15  -1.965  -9.065  -2.222
  110   2HB   GLU  15           HB1      GLU  15  -3.342  -8.000  -2.497
  111   1HG   GLU  15           HG2      GLU  15  -1.734  -7.505  -4.693
  112   2HG   GLU  15           HG1      GLU  15  -1.532  -9.239  -4.439
  113    H    CYS  16           HN       CYS  16   0.255  -8.598  -1.330
  114    HA   CYS  16           HA       CYS  16   2.192  -8.349  -3.503
  115   1HB   CYS  16           HB2      CYS  16   3.995  -7.441  -2.070
  116   2HB   CYS  16           HB1      CYS  16   2.656  -6.311  -2.262
  117    H    LEU  17           HN       LEU  17   4.201  -9.633  -2.973
  118    HA   LEU  17           HA       LEU  17   3.691 -11.783  -0.971
  119   1HB   LEU  17           HB2      LEU  17   4.562 -12.210  -3.846
  120   2HB   LEU  17           HB1      LEU  17   4.417 -13.474  -2.623
  121    HG   LEU  17           HG       LEU  17   2.040 -11.746  -2.970
  122   1HD1  LEU  17          HD11      LEU  17   3.312 -12.866  -5.262
  123   2HD1  LEU  17          HD13      LEU  17   1.866 -13.823  -4.937
  124   3HD1  LEU  17          HD12      LEU  17   1.736 -12.080  -5.171
  125   1HD2  LEU  17          HD22      LEU  17   2.298 -13.810  -1.473
  126   2HD2  LEU  17          HD21      LEU  17   0.880 -13.791  -2.522
  127   3HD2  LEU  17          HD23      LEU  17   2.285 -14.764  -2.956
  128    H    LYS  18           HN       LYS  18   5.961  -9.853  -2.820
  129    HA   LYS  18           HA       LYS  18   8.157 -10.948  -1.113
  130   1HB   LYS  18           HB2      LYS  18   8.048 -10.319  -4.028
  131   2HB   LYS  18           HB1      LYS  18   9.552  -9.969  -3.174
  132   1HG   LYS  18           HG2      LYS  18   8.266 -12.612  -2.662
  133   2HG   LYS  18           HG1      LYS  18   9.065 -12.384  -4.218
  134   1HD   LYS  18           HD2      LYS  18  10.857 -11.286  -2.396
  135   2HD   LYS  18           HD1      LYS  18  10.242 -12.719  -1.568
  136   1HE   LYS  18           HE2      LYS  18  11.049 -12.913  -4.454
  137   2HE   LYS  18           HE1      LYS  18  12.290 -12.949  -3.202
  138   1HZ   LYS  18           HZ2      LYS  18   9.967 -14.648  -2.774
  139   2HZ   LYS  18           HZ1      LYS  18  11.011 -15.112  -4.032
  140   3HZ   LYS  18           HZ3      LYS  18  11.606 -14.948  -2.452
  141    H    ASP  19           HN       ASP  19  10.009  -9.288  -0.934
  142    HA   ASP  19           HA       ASP  19   8.861  -6.780   0.024
  143   1HB   ASP  19           HB2      ASP  19  10.981  -8.207   0.850
  144   2HB   ASP  19           HB1      ASP  19  11.814  -7.102  -0.243
  145    H    ASP  20           HN       ASP  20  10.541  -7.877  -2.840
  146    HA   ASP  20           HA       ASP  20  11.315  -5.261  -3.796
  147   1HB   ASP  20           HB2      ASP  20  10.759  -6.930  -6.039
  148   2HB   ASP  20           HB1      ASP  20  12.329  -6.499  -5.375
  149    OH   TYR  21           OH       TYR  21   0.909  -4.872  -6.275
  150    H    TYR  21           HN       TYR  21   8.566  -7.395  -4.716
  151    HA   TYR  21           HA       TYR  21   7.223  -5.631  -6.402
  152   1HB   TYR  21           HB2      TYR  21   6.283  -7.817  -6.034
  153   2HB   TYR  21           HB1      TYR  21   6.085  -7.503  -4.309
  154    HD1  TYR  21           HD2      TYR  21   4.820  -6.723  -7.693
  155    HD2  TYR  21           HD1      TYR  21   4.282  -6.105  -3.476
  156    HE1  TYR  21           HE2      TYR  21   2.571  -5.770  -8.118
  157    HE2  TYR  21           HE1      TYR  21   2.036  -5.151  -3.904
  158    HH   TYR  21           HH       TYR  21   0.290  -5.601  -6.360
  159    H    CYS  22           HN       CYS  22   7.608  -5.489  -2.923
  160    HA   CYS  22           HA       CYS  22   5.660  -3.365  -2.537
  161   1HB   CYS  22           HB2      CYS  22   7.190  -5.037  -0.855
  162   2HB   CYS  22           HB1      CYS  22   7.657  -3.379  -0.501
  163    H    ASN  23           HN       ASN  23   9.203  -3.475  -2.900
  164    HA   ASN  23           HA       ASN  23   9.531  -0.630  -2.462
  165   1HB   ASN  23           HB2      ASN  23  11.345  -2.428  -2.361
  166   2HB   ASN  23           HB1      ASN  23  11.321  -2.457  -4.117
  167   1HD2  ASN  23          HD22      ASN  23  13.796   0.090  -3.904
  168   2HD2  ASN  23          HD21      ASN  23  13.484  -1.530  -4.305
  169    H    ASP  24           HN       ASP  24   9.758  -2.548  -5.458
  170    HA   ASP  24           HA       ASP  24   9.804  -0.433  -7.299
  171   1HB   ASP  24           HB2      ASP  24   9.958  -3.000  -7.657
  172   2HB   ASP  24           HB1      ASP  24   8.208  -2.934  -7.796
  173    H    LEU  25           HN       LEU  25   6.888  -2.295  -6.429
  174    HA   LEU  25           HA       LEU  25   4.942  -0.675  -7.591
  175   1HB   LEU  25           HB2      LEU  25   4.381  -2.796  -6.516
  176   2HB   LEU  25           HB1      LEU  25   4.847  -2.152  -4.944
  177    HG   LEU  25           HG       LEU  25   2.985  -0.309  -5.919
  178   1HD1  LEU  25          HD12      LEU  25   2.459  -3.055  -6.900
  179   2HD1  LEU  25          HD11      LEU  25   1.099  -2.258  -6.109
  180   3HD1  LEU  25          HD13      LEU  25   1.864  -1.510  -7.510
  181   1HD2  LEU  25          HD22      LEU  25   3.121  -2.437  -3.839
  182   2HD2  LEU  25          HD21      LEU  25   2.781  -0.715  -3.662
  183   3HD2  LEU  25          HD23      LEU  25   1.515  -1.813  -4.214
  184    H    CYS  26           HN       CYS  26   6.469  -0.327  -4.411
  185    HA   CYS  26           HA       CYS  26   4.977   1.834  -3.460
  186   1HB   CYS  26           HB2      CYS  26   7.636   0.624  -2.939
  187   2HB   CYS  26           HB1      CYS  26   7.393   2.228  -2.307
  188    H    LEU  27           HN       LEU  27   7.816   1.775  -5.558
  189    HA   LEU  27           HA       LEU  27   8.257   4.598  -5.522
  190   1HB   LEU  27           HB2      LEU  27   9.149   2.326  -7.261
  191   2HB   LEU  27           HB1      LEU  27   9.408   3.979  -7.820
  192    HG   LEU  27           HG       LEU  27  10.182   3.341  -5.009
  193   1HD1  LEU  27          HD11      LEU  27  11.557   2.296  -7.482
  194   2HD1  LEU  27          HD13      LEU  27  12.483   2.679  -6.032
  195   3HD1  LEU  27          HD12      LEU  27  11.215   1.453  -5.970
  196   1HD2  LEU  27          HD22      LEU  27  10.930   5.221  -7.207
  197   2HD2  LEU  27          HD21      LEU  27  10.693   5.541  -5.489
  198   3HD2  LEU  27          HD23      LEU  27  12.187   4.789  -6.046
  199    H    GLU  28           HN       GLU  28   6.369   2.453  -7.621
  200    HA   GLU  28           HA       GLU  28   5.725   4.280  -9.642
  201   1HB   GLU  28           HB2      GLU  28   4.163   1.994  -8.446
  202   2HB   GLU  28           HB1      GLU  28   3.549   2.930  -9.810
  203   1HG   GLU  28           HG2      GLU  28   6.220   2.314 -10.459
  204   2HG   GLU  28           HG1      GLU  28   5.537   0.827  -9.802
  205    NH1  ARG  29           NH2      ARG  29   2.026   1.907  -3.700
  206    NH2  ARG  29           NH1      ARG  29   0.618   0.186  -4.055
  207    H    ARG  29           HN       ARG  29   4.262   3.790  -6.500
  208    HA   ARG  29           HA       ARG  29   2.190   5.748  -6.898
  209   1HB   ARG  29           HB2      ARG  29   3.260   4.242  -4.559
  210   2HB   ARG  29           HB1      ARG  29   2.249   5.654  -4.255
  211   1HG   ARG  29           HG2      ARG  29   0.848   3.645  -4.357
  212   2HG   ARG  29           HG1      ARG  29   0.493   4.697  -5.727
  213   1HD   ARG  29           HD2      ARG  29   1.143   3.129  -7.200
  214   2HD   ARG  29           HD1      ARG  29   2.665   2.869  -6.354
  215    HE   ARG  29           HE       ARG  29   0.490   1.079  -6.327
  216   1HH1  ARG  29          HH21      ARG  29   2.534   2.691  -4.038
  217   2HH1  ARG  29          HH22      ARG  29   2.139   1.613  -2.751
  218   1HH2  ARG  29          HH11      ARG  29   0.039  -0.345  -4.671
  219   2HH2  ARG  29          HH12      ARG  29   0.743  -0.108  -3.108
  220    H    LYS  30           HN       LYS  30   5.466   5.843  -5.931
  221    HA   LYS  30           HA       LYS  30   6.685   8.009  -6.198
  222   1HB   LYS  30           HB2      LYS  30   4.688   9.445  -6.240
  223   2HB   LYS  30           HB1      LYS  30   4.364   9.058  -4.549
  224   1HG   LYS  30           HG2      LYS  30   7.104  10.011  -5.023
  225   2HG   LYS  30           HG1      LYS  30   5.865  11.206  -5.408
  226   1HD   LYS  30           HD2      LYS  30   5.143   9.913  -2.952
  227   2HD   LYS  30           HD1      LYS  30   6.820  10.449  -2.832
  228   1HE   LYS  30           HE2      LYS  30   6.143  12.709  -3.584
  229   2HE   LYS  30           HE1      LYS  30   4.466  12.171  -3.665
  230   1HZ   LYS  30           HZ2      LYS  30   5.674  11.553  -1.153
  231   2HZ   LYS  30           HZ1      LYS  30   5.723  13.220  -1.480
  232   3HZ   LYS  30           HZ3      LYS  30   4.239  12.399  -1.483
  233    H    ALA  31           HN       ALA  31   5.626   5.904  -3.867
  234    HA   ALA  31           HA       ALA  31   6.817   7.032  -1.502
  235   1HB   ALA  31           HB1      ALA  31   5.137   5.175  -1.488
  236   2HB   ALA  31           HB3      ALA  31   6.375   4.105  -2.144
  237   3HB   ALA  31           HB2      ALA  31   6.582   4.814  -0.543
  238    H    ASP  32           HN       ASP  32   8.842   6.618  -0.607
  239    HA   ASP  32           HA       ASP  32  10.995   6.202  -2.452
  240   1HB   ASP  32           HB2      ASP  32  10.792   7.537  -0.152
  241   2HB   ASP  32           HB1      ASP  32  11.405   6.021   0.485
  242    H    LYS  33           HN       LYS  33   9.610   4.340   0.251
  243    HA   LYS  33           HA       LYS  33  10.496   1.848  -1.058
  244   1HB   LYS  33           HB2      LYS  33  11.854   1.059   0.809
  245   2HB   LYS  33           HB1      LYS  33  12.512   2.584   0.212
  246   1HG   LYS  33           HG2      LYS  33  10.514   2.518   2.470
  247   2HG   LYS  33           HG1      LYS  33  12.241   2.326   2.771
  248   1HD   LYS  33           HD2      LYS  33  12.503   4.473   1.328
  249   2HD   LYS  33           HD1      LYS  33  10.783   4.705   1.640
  250   1HE   LYS  33           HE2      LYS  33  11.697   4.113   4.146
  251   2HE   LYS  33           HE1      LYS  33  13.077   4.981   3.472
  252   1HZ   LYS  33           HZ2      LYS  33  10.457   6.127   2.951
  253   2HZ   LYS  33           HZ1      LYS  33  10.990   6.198   4.563
  254   3HZ   LYS  33           HZ3      LYS  33  11.925   6.894   3.330
  255    H    GLY  34           HN       GLY  34   9.781  -0.094   0.226
  256   1HA   GLY  34           HA2      GLY  34   7.894   0.240   2.392
  257   2HA   GLY  34           HA1      GLY  34   7.069  -0.039   0.865
  258    OH   TYR  35           OH       TYR  35   5.990  -1.264   8.215
  259    H    TYR  35           HN       TYR  35   7.154  -1.853   3.192
  260    HA   TYR  35           HA       TYR  35   8.603  -4.123   1.892
  261   1HB   TYR  35           HB2      TYR  35   8.357  -5.223   4.198
  262   2HB   TYR  35           HB1      TYR  35   9.570  -3.976   4.015
  263    HD1  TYR  35           HD1      TYR  35   5.929  -4.300   4.821
  264    HD2  TYR  35           HD2      TYR  35   9.633  -2.299   5.671
  265    HE1  TYR  35           HE1      TYR  35   4.826  -3.043   6.648
  266    HE2  TYR  35           HE2      TYR  35   8.530  -1.035   7.501
  267    HH   TYR  35           HH       TYR  35   6.203  -1.702   9.043
  268    H    CYS  36           HN       CYS  36   7.520  -6.114   1.869
  269    HA   CYS  36           HA       CYS  36   4.627  -5.791   1.511
  270   1HB   CYS  36           HB2      CYS  36   5.897  -7.163  -0.063
  271   2HB   CYS  36           HB1      CYS  36   6.394  -8.243   1.242
  272    OH   TYR  37           OH       TYR  37   1.801  -6.943  11.325
  273    H    TYR  37           HN       TYR  37   3.616  -5.553   3.465
  274    HA   TYR  37           HA       TYR  37   4.365  -7.017   5.830
  275   1HB   TYR  37           HB2      TYR  37   3.105  -4.803   5.727
  276   2HB   TYR  37           HB1      TYR  37   1.675  -5.739   5.303
  277    HD1  TYR  37           HD1      TYR  37   4.345  -5.374   7.878
  278    HD2  TYR  37           HD2      TYR  37   0.417  -6.861   6.983
  279    HE1  TYR  37           HE1      TYR  37   3.990  -5.881  10.281
  280    HE2  TYR  37           HE2      TYR  37   0.059  -7.369   9.384
  281    HH   TYR  37           HH       TYR  37   2.185  -6.232  11.842
  282    CH2  TRP  38           CH2      TRP  38   3.416 -15.981   2.031
  283    H    TRP  38           HN       TRP  38   4.347  -9.194   5.487
  284    HA   TRP  38           HA       TRP  38   2.412 -10.682   4.041
  285   1HB   TRP  38           HB2      TRP  38   4.700 -11.190   5.768
  286   2HB   TRP  38           HB1      TRP  38   3.445 -12.393   6.011
  287    HD1  TRP  38           HD1      TRP  38   5.488 -10.790   3.177
  288    HE1  TRP  38           HE1      TRP  38   5.675 -12.483   1.246
  289    HE3  TRP  38           HE3      TRP  38   2.523 -14.539   4.991
  290    HZ2  TRP  38           HZ2      TRP  38   4.703 -15.081   0.557
  291    HZ3  TRP  38           HZ3      TRP  38   2.175 -16.611   3.675
  292    HH2  TRP  38           HH2      TRP  38   3.260 -16.886   1.463
  293    H    GLY  39           HN       GLY  39   1.854 -12.661   6.303
  294   1HA   GLY  39           HA2      GLY  39   0.218 -12.987   7.964
  295   2HA   GLY  39           HA1      GLY  39   0.149 -11.233   8.171
  296    H    LYS  40           HN       LYS  40  -0.126 -12.420   4.960
  297    HA   LYS  40           HA       LYS  40  -1.930 -12.444   3.462
  298   1HB   LYS  40           HB2      LYS  40  -2.943 -13.525   5.961
  299   2HB   LYS  40           HB1      LYS  40  -4.199 -12.624   5.114
  300   1HG   LYS  40           HG2      LYS  40  -2.484 -14.523   3.551
  301   2HG   LYS  40           HG1      LYS  40  -3.783 -15.173   4.553
  302   1HD   LYS  40           HD2      LYS  40  -5.345 -13.526   3.424
  303   2HD   LYS  40           HD1      LYS  40  -4.033 -13.164   2.303
  304   1HE   LYS  40           HE2      LYS  40  -5.297 -14.840   1.204
  305   2HE   LYS  40           HE1      LYS  40  -3.924 -15.706   1.892
  306   1HZ   LYS  40           HZ1      LYS  40  -6.360 -15.419   3.498
  307   2HZ   LYS  40           HZ3      LYS  40  -6.348 -16.559   2.242
  308   3HZ   LYS  40           HZ2      LYS  40  -5.207 -16.667   3.496
  309    H    VAL  41           HN       VAL  41  -0.981  -9.941   4.857
  310    HA   VAL  41           HA       VAL  41  -3.526  -8.408   4.884
  311    HB   VAL  41           HB       VAL  41  -0.798  -7.381   5.684
  312   1HG1  VAL  41          HG13      VAL  41  -3.074  -6.003   5.205
  313   2HG1  VAL  41          HG12      VAL  41  -3.365  -6.468   6.881
  314   3HG1  VAL  41          HG11      VAL  41  -1.929  -5.534   6.463
  315   1HG2  VAL  41          HG22      VAL  41  -2.678  -9.208   7.053
  316   2HG2  VAL  41          HG21      VAL  41  -0.955  -8.954   7.329
  317   3HG2  VAL  41          HG23      VAL  41  -2.134  -7.836   8.017
  318    H    SER  42           HN       SER  42  -0.430  -6.875   4.022
  319    HA   SER  42           HA       SER  42  -0.922  -6.952   1.171
  320   1HB   SER  42           HB2      SER  42  -1.420  -4.218   2.234
  321   2HB   SER  42           HB1      SER  42  -2.012  -4.968   0.757
  322    HG   SER  42           HG       SER  42  -3.233  -4.730   3.090
  323    H    CYS  43           HN       CYS  43   0.103  -4.547   0.376
  324    HA   CYS  43           HA       CYS  43   2.927  -4.764   1.222
  325   1HB   CYS  43           HB2      CYS  43   1.558  -4.058  -1.188
  326   2HB   CYS  43           HB1      CYS  43   2.489  -2.655  -0.674
  327    OH   TYR  44           OH       TYR  44   2.645   3.155   7.618
  328    H    TYR  44           HN       TYR  44   4.100  -2.862   1.967
  329    HA   TYR  44           HA       TYR  44   2.335  -0.661   2.949
  330   1HB   TYR  44           HB2      TYR  44   3.050  -2.265   4.785
  331   2HB   TYR  44           HB1      TYR  44   4.705  -1.731   4.500
  332    HD1  TYR  44           HD1      TYR  44   5.137   0.879   4.563
  333    HD2  TYR  44           HD2      TYR  44   1.642  -1.047   6.182
  334    HE1  TYR  44           HE1      TYR  44   4.673   2.871   5.948
  335    HE2  TYR  44           HE2      TYR  44   1.188   0.947   7.563
  336    HH   TYR  44           HH       TYR  44   2.467   3.890   7.027
  337    H    CYS  45           HN       CYS  45   3.016   1.278   2.162
  338    HA   CYS  45           HA       CYS  45   5.782   1.394   1.084
  339   1HB   CYS  45           HB2      CYS  45   3.314   3.035   0.542
  340   2HB   CYS  45           HB1      CYS  45   4.906   3.558   0.018
  341    OH   TYR  46           OH       TYR  46   6.991   0.756   7.747
  342    H    TYR  46           HN       TYR  46   6.582   3.744   1.073
  343    HA   TYR  46           HA       TYR  46   6.126   5.189   3.603
  344   1HB   TYR  46           HB2      TYR  46   8.725   3.888   2.781
  345   2HB   TYR  46           HB1      TYR  46   8.671   5.228   3.922
  346    HD1  TYR  46           HD1      TYR  46   7.580   1.726   3.334
  347    HD2  TYR  46           HD2      TYR  46   7.944   4.907   6.170
  348    HE1  TYR  46           HE1      TYR  46   7.102   0.135   5.179
  349    HE2  TYR  46           HE2      TYR  46   7.463   3.337   8.018
  350    HH   TYR  46           HH       TYR  46   6.089   0.905   8.042
  351    H    GLY  47           HN       GLY  47   5.541   7.046   2.469
  352   1HA   GLY  47           HA2      GLY  47   6.685   9.133   1.627
  353   2HA   GLY  47           HA1      GLY  47   7.532   8.083   0.494
  354    H    LEU  48           HN       LEU  48   4.159   7.575   1.286
  355    HA   LEU  48           HA       LEU  48   3.385   7.685  -1.503
  356   1HB   LEU  48           HB2      LEU  48   1.781   7.560   1.065
  357   2HB   LEU  48           HB1      LEU  48   1.051   7.499  -0.539
  358    HG   LEU  48           HG       LEU  48   3.250   5.601   0.286
  359   1HD1  LEU  48          HD12      LEU  48   0.926   5.665   1.645
  360   2HD1  LEU  48          HD11      LEU  48   0.407   4.711   0.256
  361   3HD1  LEU  48          HD13      LEU  48   1.748   4.154   1.257
  362   1HD2  LEU  48          HD23      LEU  48   2.442   6.086  -2.165
  363   2HD2  LEU  48          HD22      LEU  48   2.658   4.414  -1.647
  364   3HD2  LEU  48          HD21      LEU  48   1.042   5.119  -1.702
  365    HA   PRO  49           HA       PRO  49   2.411  11.919  -2.000
  366   1HB   PRO  49           HB2      PRO  49  -0.058  11.475  -3.396
  367   2HB   PRO  49           HB1      PRO  49   1.532  11.819  -4.092
  368   1HG   PRO  49           HG2      PRO  49   0.102   9.325  -4.160
  369   2HG   PRO  49           HG1      PRO  49   1.713   9.664  -4.807
  370   1HD   PRO  49           HD2      PRO  49   1.016   8.144  -2.433
  371   2HD   PRO  49           HD1      PRO  49   2.621   8.390  -3.151
  372    H    ASP  50           HN       ASP  50   1.004  13.543  -1.119
  373    HA   ASP  50           HA       ASP  50  -0.401  12.889   1.227
  374   1HB   ASP  50           HB2      ASP  50   0.086  15.261  -0.393
  375   2HB   ASP  50           HB1      ASP  50  -1.469  15.288   0.425
  376    H    ASN  51           HN       ASN  51  -1.623  13.719  -1.965
  377    HA   ASN  51           HA       ASN  51  -4.361  13.425  -1.280
  378   1HB   ASN  51           HB2      ASN  51  -4.788  13.920  -3.495
  379   2HB   ASN  51           HB1      ASN  51  -3.201  14.626  -3.301
  380   1HD2  ASN  51          HD22      ASN  51  -3.217  12.529  -6.396
  381   2HD2  ASN  51          HD21      ASN  51  -4.124  13.856  -5.845
  382    H    SER  52           HN       SER  52  -2.020  11.067  -1.526
  383    HA   SER  52           HA       SER  52  -3.633   9.003  -2.821
  384   1HB   SER  52           HB2      SER  52  -0.923   9.295  -1.990
  385   2HB   SER  52           HB1      SER  52  -1.577   7.879  -1.172
  386    HG   SER  52           HG       SER  52  -0.684   7.768  -3.479
  387    HA   PRO  53           HA       PRO  53  -5.904   8.431   1.021
  388   1HB   PRO  53           HB2      PRO  53  -7.574   6.501  -0.219
  389   2HB   PRO  53           HB1      PRO  53  -7.936   8.215   0.024
  390   1HG   PRO  53           HG2      PRO  53  -7.342   6.853  -2.466
  391   2HG   PRO  53           HG1      PRO  53  -7.793   8.545  -2.227
  392   1HD   PRO  53           HD2      PRO  53  -5.178   7.466  -2.848
  393   2HD   PRO  53           HD1      PRO  53  -5.650   9.166  -2.673
  394    H    THR  54           HN       THR  54  -6.040   6.667   2.529
  395    HA   THR  54           HA       THR  54  -4.770   4.107   1.691
  396    HB   THR  54           HB       THR  54  -3.357   4.076   3.634
  397    HG1  THR  54           HG1      THR  54  -4.152   6.615   4.450
  398   1HG2  THR  54          HG22      THR  54  -2.918   5.690   1.569
  399   2HG2  THR  54          HG21      THR  54  -3.067   6.934   2.811
  400   3HG2  THR  54          HG23      THR  54  -1.836   5.680   2.962
  401    H    LYS  55           HN       LYS  55  -5.203   2.374   3.384
  402    HA   LYS  55           HA       LYS  55  -7.869   1.884   3.795
  403   1HB   LYS  55           HB2      LYS  55  -5.424   1.057   5.282
  404   2HB   LYS  55           HB1      LYS  55  -6.983   0.715   6.033
  405   1HG   LYS  55           HG2      LYS  55  -6.335  -0.019   3.170
  406   2HG   LYS  55           HG1      LYS  55  -6.099  -1.123   4.524
  407   1HD   LYS  55           HD2      LYS  55  -8.514  -0.826   5.122
  408   2HD   LYS  55           HD1      LYS  55  -8.719   0.136   3.657
  409   1HE   LYS  55           HE2      LYS  55  -8.021  -1.761   2.277
  410   2HE   LYS  55           HE1      LYS  55  -7.723  -2.727   3.723
  411   1HZ   LYS  55           HZ2      LYS  55 -10.283  -1.768   4.000
  412   2HZ   LYS  55           HZ1      LYS  55 -10.173  -2.233   2.370
  413   3HZ   LYS  55           HZ3      LYS  55  -9.832  -3.355   3.596
  414    H    THR  56           HN       THR  56  -9.447   2.994   4.828
  415    HA   THR  56           HA       THR  56  -8.690   4.631   7.213
  416    HB   THR  56           HB       THR  56 -10.886   5.069   5.175
  417    HG1  THR  56           HG1      THR  56  -9.656   7.049   4.940
  418   1HG2  THR  56          HG21      THR  56 -10.236   6.510   7.758
  419   2HG2  THR  56          HG23      THR  56 -11.273   7.183   6.501
  420   3HG2  THR  56          HG22      THR  56 -11.747   5.705   7.335
  421    H    SER  57           HN       SER  57 -11.983   4.072   6.311
  422    HA   SER  57           HA       SER  57 -12.258   2.166   8.548
  423   1HB   SER  57           HB2      SER  57 -14.698   3.348   8.495
  424   2HB   SER  57           HB1      SER  57 -13.383   3.892   9.532
  425    HG   SER  57           HG       SER  57 -13.820   4.811   6.882
  426    H    GLY  58           HN       GLY  58 -11.916   0.817   6.410
  427   1HA   GLY  58           HA2      GLY  58 -14.576  -0.166   5.653
  428   2HA   GLY  58           HA1      GLY  58 -13.637   0.505   4.318
  429    H    LYS  59           HN       LYS  59 -14.217  -2.079   4.028
  430    HA   LYS  59           HA       LYS  59 -11.672  -3.470   4.753
  431   1HB   LYS  59           HB2      LYS  59 -14.520  -4.391   4.921
  432   2HB   LYS  59           HB1      LYS  59 -13.273  -5.574   4.526
  433   1HG   LYS  59           HG2      LYS  59 -12.725  -5.694   6.705
  434   2HG   LYS  59           HG1      LYS  59 -12.269  -3.991   6.663
  435   1HD   LYS  59           HD2      LYS  59 -14.743  -3.454   6.979
  436   2HD   LYS  59           HD1      LYS  59 -14.972  -5.166   7.340
  437   1HE   LYS  59           HE2      LYS  59 -14.646  -4.077   9.451
  438   2HE   LYS  59           HE1      LYS  59 -13.138  -4.914   9.090
  439   1HZ   LYS  59           HZ2      LYS  59 -12.400  -2.746   8.058
  440   2HZ   LYS  59           HZ1      LYS  59 -13.732  -2.029   8.831
  441   3HZ   LYS  59           HZ3      LYS  59 -12.518  -2.772   9.753
  442    H    CYS  60           HN       CYS  60 -12.279  -1.936   2.348
  443    HA   CYS  60           HA       CYS  60 -12.016  -2.160   0.027
  444   1HB   CYS  60           HB2      CYS  60 -10.057  -3.494   0.606
  445   2HB   CYS  60           HB1      CYS  60 -11.066  -4.910   0.896
  446    H    ASN  61           HN       ASN  61 -13.718  -2.349  -1.352
  447    HA   ASN  61           HA       ASN  61 -15.496  -4.733  -1.040
  448   1HB   ASN  61           HB2      ASN  61 -16.126  -1.972  -0.770
  449   2HB   ASN  61           HB1      ASN  61 -16.898  -2.550  -2.246
  450   1HD2  ASN  61          HD22      ASN  61 -19.496  -3.741  -0.158
  451   2HD2  ASN  61          HD21      ASN  61 -19.054  -2.650  -1.381
  452    HA   PRO  62           HA       PRO  62 -14.079  -5.305  -5.259
  453   1HB   PRO  62           HB2      PRO  62 -15.866  -7.525  -5.524
  454   2HB   PRO  62           HB1      PRO  62 -14.122  -7.575  -5.238
  455   1HG   PRO  62           HG2      PRO  62 -16.249  -8.193  -3.373
  456   2HG   PRO  62           HG1      PRO  62 -14.503  -8.306  -3.113
  457   1HD   PRO  62           HD2      PRO  62 -16.316  -6.350  -2.036
  458   2HD   PRO  62           HD1      PRO  62 -14.558  -6.443  -1.808
  459    H    ALA  63           HN       ALA  63 -15.690  -6.176  -7.280
  460    HA   ALA  63           HA       ALA  63 -17.241  -3.977  -8.041
  461   1HB   ALA  63           HB1      ALA  63 -16.981  -6.777  -8.906
  462   2HB   ALA  63           HB3      ALA  63 -18.553  -6.066  -9.267
  463   3HB   ALA  63           HB2      ALA  63 -17.081  -5.307  -9.875
   
   
  No H/Q in entry =         463