*HEADER   GROWTH FACTOR                           24-MAR-92   1EPJ    
*COMPND   EPIDERMAL GROWTH FACTOR (EGF) IN PH 6.8 SOLUTION (NMR,      
*COMPND  2 5 STRUCTURES)                                              
*SOURCE   MOUSE (MUS MUSCULUS) ADULT MALE SUBMAXILLARY GLAND          
*AUTHOR   D.KOHDA,F.INAGAKI                                           

The distance constraints to determine the three-dimensional structure of
mouse EGF at pH 6.8.

Distance constriants:

remarks   mEGF pH6.8                                 1-MAR-92
remarks   1st value is equ. value, 2nd value is error on - side
remarks   3rd value is error on + side
remarks    TH r0 dlow dhigh
remarks    1  2.9  1.1  1.1  ( 1.8 - 4 )
remarks    2  2.9  1.1  1.1  ( 1.8 - 4 )
remarks    3  2.6  .8  .9  ( 1.8 - 3.5 )
remarks    4  2.4  .6  .6  ( 1.8 - 3 )
remarks    5  2.1  .3  .4  ( 1.8 - 2.5 )
remarks    6  2.1  .3  .4  ( 1.8 - 2.5 )
remarks    .5 A added to upper limits of distances involving methyl groups.
set echo=false end
set wrnlev=0 end 
assign (resid   2 and name HA  )(resid  23 and name HA  )  2.9 1.1 1.1
assign (resid   3 and name HN  )(resid   3 and name HA  )  2.6 0.8 0.9
assign (resid   3 and name HA  )(resid   4 and name HD# )  2.6 0.8 0.9
assign (resid   3 and name HB# )(resid   4 and name HD# )  2.9 1.1 1.1
assign (resid   3 and name HD# )(resid   4 and name HD# )  2.9 1.1 1.1
assign (resid   4 and name HA  )(resid   5 and name HN  )  2.9 1.1 1.1
assign (resid   4 and name HA  )(resid  21 and name HA  )  2.9 1.1 1.1
assign (resid   5 and name HA# )(resid   6 and name HN  )  2.9 1.1 1.1
assign (resid   5 and name HA# )(resid  21 and name HA  )  2.9 1.1 1.1
assign (resid   6 and name HN  )(resid   6 and name HB# )  2.9 1.1 1.1
assign (resid   6 and name HA  )(resid   7 and name HD# )  2.9 1.1 1.1
assign (resid   6 and name HA  )(resid  10 and name HD# )  2.9 1.1 1.1
assign (resid   6 and name HB# )(resid  10 and name HD# )  2.9 1.1 1.1
assign (resid   6 and name HA  )(resid  29 and name HD# )  2.9 1.1 1.1
assign (resid   6 and name HA  )(resid  29 and name HE# )  2.9 1.1 1.1
assign (resid   7 and name HA  )(resid   8 and name HA  )  2.9 1.1 1.1
assign (resid   7 and name HB# )(resid  10 and name HD# )  2.9 1.1 1.1
assign (resid   7 and name HG# )(resid  10 and name HD# )  2.9 1.1 1.1
assign (resid   7 and name HG# )(resid  10 and name HE# )  2.9 1.1 1.1
assign (resid   7 and name HD# )(resid  10 and name HD# )  2.9 1.1 1.1
assign (resid   7 and name HD# )(resid  29 and name HE# )  2.9 1.1 1.1
assign (resid  10 and name HN  )(resid  10 and name HA  )  2.4 0.6 0.6
assign (resid  10 and name HN  )(resid  10 and name HB# )  2.6 0.8 0.9
assign (resid  10 and name HN  )(resid  10 and name HD# )  2.6 0.8 0.9
assign (resid  10 and name HN  )(resid  11 and name HN  )  2.6 0.8 0.9
assign (resid  10 and name HA  )(resid  11 and name HN  )  2.6 0.8 0.9
assign (resid  10 and name HA  )(resid  13 and name HD# )  2.6 0.8 0.9
assign (resid  10 and name HD# )(resid  13 and name HB# )  2.6 0.8 0.9
assign (resid  10 and name HD# )(resid  13 and name HD# )  2.6 0.8 0.9
assign (resid  10 and name HD# )(resid  13 and name HE# )  2.9 1.1 1.1
assign (resid  10 and name HE# )(resid  13 and name HB# )  2.9 1.1 1.1
assign (resid  10 and name HE# )(resid  13 and name HD# )  2.9 1.1 1.1
assign (resid  10 and name HE# )(resid  13 and name HE# )  2.9 1.1 1.1
assign (resid  10 and name HE# )(resid  29 and name HB# )  2.9 1.1 1.1
assign (resid  10 and name HE# )(resid  29 and name HD# )  2.9 1.1 1.1
assign (resid  11 and name HN  )(resid  11 and name HA  )  2.6 0.8 0.9
assign (resid  11 and name HN  )(resid  11 and name HB# )  2.4 0.6 0.6
assign (resid  12 and name HA# )(resid  13 and name HN  )  2.9 1.1 1.1
assign (resid  13 and name HN  )(resid  13 and name HA  )  2.6 0.8 0.9
assign (resid  13 and name HN  )(resid  13 and name HB# )  2.4 0.6 0.6
assign (resid  13 and name HN  )(resid  13 and name HD# )  2.9 1.1 1.1
assign (resid  13 and name HN  )(resid  14 and name HN  )  2.6 0.8 0.9
assign (resid  13 and name HB# )(resid  14 and name HN  )  2.6 0.8 0.9
assign (resid  13 and name HD# )(resid  14 and name HN  )  2.9 1.1 1.1
assign (resid  13 and name HD# )(resid  30 and name HA  )  2.9 1.1 1.1
assign (resid  13 and name HE# )(resid  30 and name HA  )  2.6 0.8 0.9
assign (resid  13 and name HD# )(resid  41 and name HD# )  2.9 1.1 1.1
assign (resid  13 and name HE# )(resid  41 and name HB# )  2.9 1.1 1.1
assign (resid  13 and name HE# )(resid  41 and name HG# )  2.9 1.1 1.1
assign (resid  13 and name HE# )(resid  41 and name HD# )  2.6 0.8 0.9
assign (resid  14 and name HN  )(resid  14 and name HA  )  2.6 0.8 0.9
assign (resid  14 and name HN  )(resid  14 and name HB# )  2.6 0.8 0.9
assign (resid  14 and name HA  )(resid  15 and name HN  )  2.4 0.6 0.6
assign (resid  15 and name HN  )(resid  15 and name HA  )  2.6 0.8 0.9
assign (resid  15 and name HN  )(resid  15 and name HB# )  2.9 1.1 1.1
assign (resid  15 and name HN  )(resid  15 and name HD* )  2.6 0.8 1.4
assign (resid  15 and name HA  )(resid  16 and name HN  )  2.6 0.8 0.9
assign (resid  15 and name HB# )(resid  16 and name HN  )  2.9 1.1 1.1
assign (resid  15 and name HB# )(resid  16 and name HD# )  2.9 1.1 1.1
assign (resid  15 and name HD* )(resid  16 and name HN  )  2.9 1.1 1.6
assign (resid  15 and name HD* )(resid  16 and name HD# )  2.9 1.1 1.6
assign (resid  15 and name HD* )(resid  41 and name HG# )  2.9 1.1 1.6
assign (resid  15 and name HD* )(resid  41 and name HE# )  2.9 1.1 1.6
assign (resid  15 and name HD* )(resid  43 and name HA  )  2.4 0.6 1.1
assign (resid  15 and name HD* )(resid  43 and name HB# )  2.9 1.1 1.6
assign (resid  16 and name HN  )(resid  16 and name HA  )  2.6 0.8 0.9
assign (resid  16 and name HA  )(resid  37 and name HE# )  2.9 1.1 1.1
assign (resid  16 and name HB# )(resid  37 and name HD# )  2.9 1.1 1.1
assign (resid  16 and name HB# )(resid  37 and name HE# )  2.9 1.1 1.1
assign (resid  16 and name HD# )(resid  37 and name HD# )  2.9 1.1 1.1
assign (resid  16 and name HD# )(resid  37 and name HE# )  2.9 1.1 1.1
assign (resid  16 and name HD# )(resid  43 and name HA  )  2.6 0.8 0.9
assign (resid  17 and name HN  )(resid  17 and name HA# )  2.6 0.8 0.9
assign (resid  17 and name HN  )(resid  18 and name HN  )  2.9 1.1 1.1
assign (resid  17 and name HA# )(resid  18 and name HN  )  2.9 1.1 1.1
assign (resid  18 and name HN  )(resid  18 and name HA# )  2.4 0.6 0.6
assign (resid  18 and name HN  )(resid  19 and name HN  )  2.9 1.1 1.1
assign (resid  18 and name HN  )(resid  19 and name HG* )  2.9 1.1 1.6
assign (resid  18 and name HA# )(resid  19 and name HN  )  2.9 1.1 1.1
assign (resid  19 and name HN  )(resid  19 and name HA  )  2.1 0.3 0.4
assign (resid  19 and name HN  )(resid  19 and name HB  )  2.6 0.8 0.9
assign (resid  19 and name HN  )(resid  19 and name HG* )  2.4 0.6 1.1
assign (resid  19 and name HA  )(resid  20 and name HN  )  2.1 0.3 0.4
assign (resid  19 and name HG* )(resid  20 and name HN  )  2.6 0.8 1.4
assign (resid  19 and name HG* )(resid  21 and name HG# )  2.9 1.1 1.6
assign (resid  19 and name HN  )(resid  32 and name HN  )  2.9 1.1 1.1
assign (resid  19 and name HN  )(resid  32 and name HB# )  2.9 1.1 1.1
assign (resid  19 and name HB  )(resid  32 and name HB# )  2.9 1.1 1.1
assign (resid  19 and name HG* )(resid  32 and name HB# )  2.9 1.1 1.6
assign (resid  20 and name HN  )(resid  20 and name HA  )  2.9 1.1 1.1
assign (resid  20 and name HN  )(resid  20 and name HB# )  2.6 0.8 0.9
assign (resid  20 and name HA  )(resid  21 and name HN  )  2.4 0.6 0.6
assign (resid  20 and name HA  )(resid  31 and name HA  )  2.4 0.6 0.6
assign (resid  20 and name HB# )(resid  31 and name HA  )  2.9 1.1 1.1
assign (resid  21 and name HN  )(resid  21 and name HA  )  2.9 1.1 1.1
assign (resid  21 and name HN  )(resid  21 and name HB# )  2.9 1.1 1.1
assign (resid  21 and name HN  )(resid  21 and name HG# )  2.9 1.1 1.1
assign (resid  21 and name HA  )(resid  22 and name HN  )  2.4 0.6 0.6
assign (resid  21 and name HB# )(resid  22 and name HN  )  2.9 1.1 1.1
assign (resid  21 and name HN  )(resid  30 and name HN  )  2.9 1.1 1.1
assign (resid  21 and name HB# )(resid  30 and name HN  )  2.9 1.1 1.1
assign (resid  21 and name HG# )(resid  30 and name HG2#)  2.9 1.1 1.6
assign (resid  21 and name HN  )(resid  31 and name HA  )  2.9 1.1 1.1
assign (resid  21 and name HG# )(resid  32 and name HB# )  2.9 1.1 1.1
assign (resid  22 and name HN  )(resid  22 and name HB# )  2.9 1.1 1.1
assign (resid  22 and name HA  )(resid  23 and name HN  )  2.6 0.8 0.9
assign (resid  22 and name HA  )(resid  29 and name HA  )  2.9 1.1 1.1
assign (resid  22 and name HA  )(resid  29 and name HD# )  2.9 1.1 1.1
assign (resid  22 and name HA  )(resid  29 and name HE# )  2.9 1.1 1.1
assign (resid  22 and name HB# )(resid  29 and name HD# )  2.9 1.1 1.1
assign (resid  22 and name HB# )(resid  29 and name HE# )  2.9 1.1 1.1
assign (resid  22 and name HA  )(resid  30 and name HN  )  2.9 1.1 1.1
assign (resid  23 and name HD# )(resid  30 and name HG2#)  2.6 0.8 1.9
assign (resid  26 and name HN  )(resid  26 and name HA  )  2.9 1.1 1.1
assign (resid  26 and name HN  )(resid  26 and name HD* )  2.9 1.1 1.6
assign (resid  28 and name HN  )(resid  28 and name HA  )  2.9 1.1 1.1
assign (resid  28 and name HA  )(resid  29 and name HN  )  2.6 0.8 0.9
assign (resid  29 and name HN  )(resid  29 and name HA  )  2.6 0.8 0.9
assign (resid  29 and name HN  )(resid  29 and name HB# )  2.9 1.1 1.1
assign (resid  29 and name HA  )(resid  30 and name HN  )  2.4 0.6 0.6
assign (resid  29 and name HB# )(resid  30 and name HN  )  2.9 1.1 1.1
assign (resid  30 and name HN  )(resid  30 and name HA  )  2.6 0.8 0.9
assign (resid  30 and name HN  )(resid  30 and name HG2#)  2.9 1.1 1.6
assign (resid  30 and name HA  )(resid  31 and name HN  )  2.4 0.6 0.6
assign (resid  30 and name HB  )(resid  31 and name HN  )  2.9 1.1 1.1
assign (resid  30 and name HG2#)(resid  31 and name HN  )  2.9 1.1 1.6
assign (resid  31 and name HN  )(resid  31 and name HA  )  2.6 0.8 0.9
assign (resid  31 and name HN  )(resid  31 and name HB# )  2.6 0.8 0.9
assign (resid  31 and name HA  )(resid  32 and name HN  )  2.4 0.6 0.6
assign (resid  31 and name HB# )(resid  32 and name HN  )  2.9 1.1 1.1
assign (resid  32 and name HN  )(resid  32 and name HA  )  2.9 1.1 1.1
assign (resid  32 and name HN  )(resid  32 and name HB# )  2.6 0.8 0.9
assign (resid  32 and name HA  )(resid  33 and name HN  )  2.4 0.6 0.6
assign (resid  33 and name HN  )(resid  33 and name HB# )  2.9 1.1 1.1
assign (resid  33 and name HB# )(resid  34 and name HN  )  2.9 1.1 1.1
assign (resid  34 and name HN  )(resid  34 and name HB  )  2.6 0.8 0.9
assign (resid  34 and name HN  )(resid  34 and name HG* )  2.6 0.8 1.4
assign (resid  34 and name HA  )(resid  35 and name HN  )  2.1 0.3 0.4
assign (resid  34 and name HB  )(resid  35 and name HN  )  2.6 0.8 0.9
assign (resid  34 and name HG* )(resid  35 and name HN  )  2.6 0.8 1.4
assign (resid  34 and name HB  )(resid  37 and name HD# )  2.6 0.8 0.9
assign (resid  34 and name HB  )(resid  37 and name HE# )  2.6 0.8 0.9
assign (resid  34 and name HG* )(resid  37 and name HD# )  2.6 0.8 1.4
assign (resid  34 and name HG* )(resid  37 and name HE# )  2.4 0.6 1.1
assign (resid  35 and name HN  )(resid  35 and name HA  )  2.4 0.6 0.6
assign (resid  35 and name HN  )(resid  35 and name HB  )  2.1 0.3 0.4
assign (resid  35 and name HN  )(resid  35 and name HG1#)  2.6 0.8 0.9
assign (resid  35 and name HN  )(resid  35 and name HG2#)  2.6 0.8 1.4
assign (resid  35 and name HN  )(resid  35 and name HD# )  2.9 1.1 1.6
assign (resid  35 and name HN  )(resid  36 and name HN  )  2.9 1.1 1.1
assign (resid  35 and name HA  )(resid  36 and name HN  )  2.1 0.3 0.4
assign (resid  35 and name HG2#)(resid  36 and name HN  )  2.9 1.1 1.6
assign (resid  35 and name HN  )(resid  37 and name HE# )  2.9 1.1 1.1
assign (resid  35 and name HA  )(resid  37 and name HN  )  2.9 1.1 1.1
assign (resid  35 and name HG2#)(resid  49 and name HH2 )  2.9 1.1 1.6
assign (resid  35 and name HG2#)(resid  49 and name HZ2 )  2.9 1.1 1.6
assign (resid  36 and name HN  )(resid  36 and name HA# )  2.4 0.6 0.6
assign (resid  36 and name HN  )(resid  37 and name HN  )  2.9 1.1 1.1
assign (resid  36 and name HA# )(resid  37 and name HN  )  2.9 1.1 1.1
assign (resid  36 and name HA# )(resid  37 and name HA  )  2.9 1.1 1.1
assign (resid  36 and name HA# )(resid  37 and name HD# )  2.9 1.1 1.1
assign (resid  36 and name HA# )(resid  49 and name HD1 )  2.9 1.1 1.1
assign (resid  37 and name HN  )(resid  37 and name HA  )  2.4 0.6 0.6
assign (resid  37 and name HN  )(resid  37 and name HB# )  2.9 1.1 1.1
assign (resid  37 and name HN  )(resid  37 and name HD# )  2.6 0.8 0.9
assign (resid  37 and name HN  )(resid  37 and name HE# )  2.9 1.1 1.1
assign (resid  37 and name HA  )(resid  38 and name HN  )  2.4 0.6 0.6
assign (resid  37 and name HB# )(resid  38 and name HN  )  2.9 1.1 1.1
assign (resid  37 and name HA  )(resid  42 and name HA  )  2.9 1.1 1.1
assign (resid  37 and name HA  )(resid  42 and name HB# )  2.9 1.1 1.1
assign (resid  37 and name HD# )(resid  42 and name HA  )  2.9 1.1 1.1
assign (resid  37 and name HD# )(resid  42 and name HB# )  2.9 1.1 1.1
assign (resid  37 and name HA  )(resid  45 and name HA  )  2.4 0.6 0.6
assign (resid  37 and name HD# )(resid  45 and name HA  )  2.6 0.8 0.9
assign (resid  37 and name HD# )(resid  45 and name HB# )  2.9 1.1 1.1
assign (resid  37 and name HD# )(resid  45 and name HG# )  2.9 1.1 1.1
assign (resid  37 and name HD# )(resid  45 and name HD# )  2.9 1.1 1.1
!  relaxed by 0.5 A
assign (resid  37 and name HE# )(resid  45 and name HA  )  2.6 0.8 1.4
assign (resid  37 and name HE# )(resid  45 and name HB# )  2.6 0.8 0.9
assign (resid  37 and name HE# )(resid  45 and name HG# )  2.9 1.1 1.1
assign (resid  37 and name HE# )(resid  45 and name HD# )  2.6 0.8 0.9
assign (resid  37 and name HA  )(resid  46 and name HN  )  2.6 0.8 0.9
!  relaxed by 0.5 A
assign (resid  37 and name HB# )(resid  49 and name HD1 )  2.9 1.1 1.6
assign (resid  37 and name HE# )(resid  50 and name HZ2 )  2.9 1.1 1.1
assign (resid  38 and name HN  )(resid  38 and name HB# )  2.6 0.8 0.9
assign (resid  38 and name HB# )(resid  39 and name HN  )  2.4 0.6 0.6
assign (resid  38 and name HN  )(resid  44 and name HN  )  2.9 1.1 1.1
assign (resid  38 and name HN  )(resid  45 and name HA  )  2.9 1.1 1.1
assign (resid  39 and name HN  )(resid  39 and name HA# )  2.6 0.8 0.9
assign (resid  39 and name HA# )(resid  40 and name HN  )  2.9 1.1 1.1
assign (resid  40 and name HN  )(resid  40 and name HA  )  2.9 1.1 1.1
assign (resid  40 and name HN  )(resid  40 and name HB# )  2.9 1.1 1.1
assign (resid  41 and name HN  )(resid  41 and name HB# )  2.9 1.1 1.1
assign (resid  41 and name HN  )(resid  41 and name HG# )  2.9 1.1 1.1
assign (resid  41 and name HN  )(resid  42 and name HN  )  2.6 0.8 0.9
assign (resid  41 and name HA  )(resid  42 and name HN  )  2.9 1.1 1.1
assign (resid  41 and name HN  )(resid  43 and name HN  )  2.9 1.1 1.1
assign (resid  42 and name HN  )(resid  42 and name HA  )  2.4 0.6 0.6
assign (resid  42 and name HN  )(resid  43 and name HN  )  2.6 0.8 0.9
assign (resid  42 and name HA  )(resid  43 and name HN  )  2.9 1.1 1.1
assign (resid  43 and name HN  )(resid  43 and name HA  )  2.9 1.1 1.1
assign (resid  43 and name HN  )(resid  43 and name HB# )  2.9 1.1 1.1
assign (resid  43 and name HN  )(resid  44 and name HN  )  2.6 0.8 0.9
assign (resid  44 and name HN  )(resid  44 and name HA  )  2.9 1.1 1.1
assign (resid  44 and name HN  )(resid  44 and name HB  )  2.6 0.8 0.9
assign (resid  44 and name HN  )(resid  44 and name HG2#)  2.9 1.1 1.6
assign (resid  44 and name HA  )(resid  45 and name HN  )  2.9 1.1 1.1
assign (resid  44 and name HG2#)(resid  45 and name HN  )  2.9 1.1 1.6
assign (resid  45 and name HN  )(resid  45 and name HA  )  2.9 1.1 1.1
assign (resid  45 and name HN  )(resid  45 and name HB# )  2.9 1.1 1.1
assign (resid  45 and name HA  )(resid  46 and name HN  )  2.1 0.3 0.4
assign (resid  45 and name HA  )(resid  46 and name HA  )  2.9 1.1 1.1
assign (resid  46 and name HN  )(resid  46 and name HA  )  2.4 0.6 0.6
assign (resid  46 and name HN  )(resid  46 and name HB# )  2.4 0.6 0.6
assign (resid  46 and name HA  )(resid  47 and name HN  )  2.1 0.3 0.4
assign (resid  46 and name HB# )(resid  49 and name HD1 )  2.9 1.1 1.1
assign (resid  47 and name HN  )(resid  47 and name HA  )  2.4 0.6 0.6
assign (resid  47 and name HN  )(resid  47 and name HB# )  2.9 1.1 1.1
assign (resid  47 and name HN  )(resid  47 and name HG  )  2.4 0.6 0.6
assign (resid  47 and name HN  )(resid  47 and name HD* )  2.9 1.1 1.6
assign (resid  47 and name HA  )(resid  50 and name HZ2 )  2.9 1.1 1.1
assign (resid  48 and name HN  )(resid  48 and name HA  )  2.4 0.6 0.6
assign (resid  48 and name HN  )(resid  48 and name HB# )  2.6 0.8 0.9
assign (resid  48 and name HN  )(resid  48 and name HG# )  2.9 1.1 1.1
assign (resid  48 and name HA  )(resid  49 and name HN  )  2.6 0.8 0.9
assign (resid  48 and name HB# )(resid  49 and name HN  )  2.9 1.1 1.1
assign (resid  48 and name HG# )(resid  50 and name HZ2 )  2.9 1.1 1.1
assign (resid  48 and name HD# )(resid  50 and name HH2 )  2.9 1.1 1.1
assign (resid  48 and name HD# )(resid  50 and name HZ2 )  2.9 1.1 1.1
assign (resid  49 and name HN  )(resid  49 and name HA  )  2.4 0.6 0.6
assign (resid  49 and name HN  )(resid  49 and name HB# )  2.6 0.8 0.9
assign (resid  49 and name HN  )(resid  49 and name HD1 )  2.9 1.1 1.1
assign (resid  49 and name HN  )(resid  50 and name HN  )  2.9 1.1 1.1
assign (resid  49 and name HE3 )(resid  50 and name HA  )  2.9 1.1 1.1
assign (resid  49 and name HE3 )(resid  50 and name HB# )  2.9 1.1 1.1
assign (resid  49 and name HZ3 )(resid  50 and name HA  )  2.9 1.1 1.1
assign (resid  50 and name HN  )(resid  51 and name HN  )  2.9 1.1 1.1
assign (resid  50 and name HA  )(resid  51 and name HN  )  2.9 1.1 1.1
assign (resid  50 and name HB# )(resid  51 and name HN  )  2.9 1.1 1.1
assign (resid  50 and name HD1 )(resid  51 and name HB# )  2.9 1.1 1.1
!  relaxed by 0.5 A
assign (resid  50 and name HZ3 )(resid  51 and name HA  )  2.9 1.1 1.6
assign (resid  51 and name HB# )(resid  52 and name HN  )  2.9 1.1 1.1
remarks    S-S bridges
assign (resid   6 and name sg  )(resid  20 and name sg  )  2.02 0.10 0.10
assign (resid  14 and name sg  )(resid  31 and name sg  )  2.02 0.10 0.10
assign (resid  33 and name sg  )(resid  42 and name sg  )  2.02 0.10 0.10
remarks    H-bonds
assign (resid  21 and name HN  )(resid  30 and name O   )  1.8 0.5 0.5
assign (resid  21 and name N   )(resid  30 and name O   )  2.8 0.5 0.5
assign (resid  21 and name O   )(resid  30 and name HN  )  1.8 0.5 0.5
assign (resid  21 and name O   )(resid  30 and name N   )  2.8 0.5 0.5
assign (resid  19 and name HN  )(resid  32 and name O   )  1.8 0.5 0.5
assign (resid  19 and name N   )(resid  32 and name O   )  2.8 0.5 0.5
assign (resid  19 and name O   )(resid  32 and name HN  )  1.8 0.5 0.5
assign (resid  19 and name O   )(resid  32 and name N   )  2.8 0.5 0.5
assign (resid  34 and name HN  )(resid  37 and name O   )  1.8 0.5 0.5
assign (resid  34 and name N   )(resid  37 and name O   )  2.8 0.5 0.5
assign (resid  34 and name O   )(resid  37 and name HN  )  1.8 0.5 0.5
assign (resid  34 and name O   )(resid  37 and name N   )  2.8 0.5 0.5
assign (resid  38 and name HN  )(resid  44 and name O   )  1.8 0.5 0.5
assign (resid  38 and name N   )(resid  44 and name O   )  2.8 0.5 0.5
assign (resid  38 and name O   )(resid  44 and name HN  )  1.8 0.5 0.5
assign (resid  38 and name O   )(resid  44 and name N   )  2.8 0.5 0.5
set echo=true end
set wrnlev=5 end


  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had 388 H/Q atoms
  Start of MODEL    1
    1   1H    ASN   1          3H        ASN   1  -2.658  -0.978   0.303
    2   2H    ASN   1          1H        ASN   1  -2.478  -0.566  -1.336
    3   3H    ASN   1          2H        ASN   1  -2.334  -2.185  -0.849
    4    HA   ASN   1           HA       ASN   1  -0.161  -1.832  -0.824
    5   1HB   ASN   1          1HB       ASN   1   0.712   0.609  -0.609
    6   2HB   ASN   1          2HB       ASN   1  -0.216   0.239  -2.062
    7   1HD2  ASN   1          2HD2      ASN   1  -1.873   3.264  -0.954
    8   2HD2  ASN   1          1HD2      ASN   1  -0.532   2.748  -1.858
    9    H    SER   2           H        SER   2   1.339  -1.926   0.804
   10    HA   SER   2           HA       SER   2   0.551  -2.266   3.431
   11   1HB   SER   2          1HB       SER   2   3.124  -1.700   2.049
   12   2HB   SER   2          2HB       SER   2   3.115  -1.256   3.767
   13    HG   SER   2           HG       SER   2   2.156  -3.715   2.711
   14    OH   TYR   3           OH       TYR   3  -0.561   7.287   3.715
   15    H    TYR   3           H        TYR   3  -0.182  -1.011   4.983
   16    HA   TYR   3           HA       TYR   3   0.723   1.758   5.253
   17   1HB   TYR   3          1HB       TYR   3  -1.565   1.239   3.723
   18   2HB   TYR   3          2HB       TYR   3  -2.238   1.606   5.308
   19    HD1  TYR   3           HD1      TYR   3   0.240   2.921   2.826
   20    HD2  TYR   3           HD2      TYR   3  -2.488   3.853   5.954
   21    HE1  TYR   3           HE1      TYR   3   0.587   5.314   2.420
   22    HE2  TYR   3           HE2      TYR   3  -2.147   6.244   5.541
   23    HH   TYR   3           HH       TYR   3   0.134   7.376   3.059
   24    HA   PRO   4           HA       PRO   4   0.176   0.543   9.507
   25   1HB   PRO   4          1HB       PRO   4  -0.635   3.184  10.395
   26   2HB   PRO   4          2HB       PRO   4   0.944   2.424  10.594
   27   1HG   PRO   4          1HG       PRO   4   0.193   4.554   8.761
   28   2HG   PRO   4          2HG       PRO   4   1.796   3.875   9.042
   29   1HD   PRO   4          2HD       PRO   4   0.168   3.508   6.727
   30   2HD   PRO   4          1HD       PRO   4   1.693   2.684   7.103
   31    H    GLY   5           H        GLY   5  -1.581   0.008  10.904
   32   1HA   GLY   5          1HA       GLY   5  -4.068   1.246  11.067
   33   2HA   GLY   5          2HA       GLY   5  -4.187   0.218   9.649
   34    H    CYS   6           H        CYS   6  -4.808   0.349  12.878
   35    HA   CYS   6           HA       CYS   6  -5.417  -2.482  13.007
   36   1HB   CYS   6          1HB       CYS   6  -3.429  -1.441  15.023
   37   2HB   CYS   6          2HB       CYS   6  -3.927  -3.092  14.781
   38    HA   PRO   7           HA       PRO   7  -8.602  -0.737  15.622
   39   1HB   PRO   7          1HB       PRO   7  -8.367  -3.236  17.229
   40   2HB   PRO   7          2HB       PRO   7  -9.793  -2.564  16.427
   41   1HG   PRO   7          1HG       PRO   7  -8.297  -4.752  15.506
   42   2HG   PRO   7          2HG       PRO   7  -9.407  -3.796  14.520
   43   1HD   PRO   7          2HD       PRO   7  -6.508  -3.903  14.369
   44   2HD   PRO   7          1HD       PRO   7  -7.634  -3.053  13.297
   45    H    SER   8           H        SER   8  -9.034  -0.397  17.952
   46    HA   SER   8           HA       SER   8  -7.011   1.010  19.150
   47   1HB   SER   8          1HB       SER   8  -8.350   0.940  21.181
   48   2HB   SER   8          2HB       SER   8  -9.520   0.723  19.864
   49    HG   SER   8           HG       SER   8  -9.831  -1.244  20.522
   50    H    SER   9           H        SER   9  -7.574  -2.441  19.318
   51    HA   SER   9           HA       SER   9  -5.770  -3.045  21.445
   52   1HB   SER   9          1HB       SER   9  -6.428  -4.725  18.967
   53   2HB   SER   9          2HB       SER   9  -5.824  -5.344  20.517
   54    HG   SER   9           HG       SER   9  -7.723  -3.997  21.344
   55    OH   TYR  10           OH       TYR  10  -5.084  -8.782  15.518
   56    H    TYR  10           H        TYR  10  -4.406  -5.014  19.419
   57    HA   TYR  10           HA       TYR  10  -2.113  -5.137  18.830
   58   1HB   TYR  10          1HB       TYR  10  -3.468  -3.044  17.075
   59   2HB   TYR  10          2HB       TYR  10  -1.847  -3.657  16.720
   60    HD1  TYR  10           HD2      TYR  10  -1.599  -6.231  16.810
   61    HD2  TYR  10           HD1      TYR  10  -5.342  -4.306  16.280
   62    HE1  TYR  10           HE2      TYR  10  -2.573  -8.381  16.289
   63    HE2  TYR  10           HE1      TYR  10  -6.340  -6.465  15.615
   64    HH   TYR  10           HH       TYR  10  -4.469  -9.233  14.936
   65    H    ASP  11           H        ASP  11  -2.533  -3.416  21.080
   66    HA   ASP  11           HA       ASP  11  -0.605  -1.208  20.598
   67   1HB   ASP  11          1HB       ASP  11  -1.320  -0.426  22.833
   68   2HB   ASP  11          2HB       ASP  11  -2.760  -0.810  21.891
   69    H    GLY  12           H        GLY  12  -0.553  -4.396  21.445
   70   1HA   GLY  12          1HA       GLY  12   2.189  -4.409  22.191
   71   2HA   GLY  12          2HA       GLY  12   1.232  -4.476  23.668
   72    OH   TYR  13           OH       TYR  13   1.434 -10.941  15.395
   73    H    TYR  13           H        TYR  13   0.066  -5.916  20.706
   74    HA   TYR  13           HA       TYR  13  -0.304  -8.458  21.986
   75   1HB   TYR  13          1HB       TYR  13  -1.624  -8.748  20.133
   76   2HB   TYR  13          2HB       TYR  13  -1.038  -7.221  19.501
   77    HD1  TYR  13           HD2      TYR  13   0.157 -10.802  19.743
   78    HD2  TYR  13           HD1      TYR  13  -0.023  -7.231  17.472
   79    HE1  TYR  13           HE2      TYR  13   1.066 -11.983  17.785
   80    HE2  TYR  13           HE1      TYR  13   0.637  -8.417  15.495
   81    HH   TYR  13           HH       TYR  13   0.686 -11.273  14.892
   82    H    CYS  14           H        CYS  14   2.251  -7.095  20.062
   83    HA   CYS  14           HA       CYS  14   3.721  -9.690  20.138
   84   1HB   CYS  14          1HB       CYS  14   4.975  -7.340  18.850
   85   2HB   CYS  14          2HB       CYS  14   4.815  -8.969  18.254
   86    H    LEU  15           H        LEU  15   5.475  -9.979  21.420
   87    HA   LEU  15           HA       LEU  15   6.063  -8.079  23.491
   88   1HB   LEU  15          1HB       LEU  15   8.242  -9.995  22.879
   89   2HB   LEU  15          2HB       LEU  15   7.352  -9.770  24.375
   90    HG   LEU  15           HG       LEU  15   5.385 -10.934  22.991
   91   1HD1  LEU  15          1HD1      LEU  15   6.779 -11.023  20.893
   92   2HD1  LEU  15          2HD1      LEU  15   7.927 -12.047  21.741
   93   3HD1  LEU  15          3HD1      LEU  15   6.288 -12.621  21.441
   94   1HD2  LEU  15          3HD2      LEU  15   7.746 -12.111  24.431
   95   2HD2  LEU  15          1HD2      LEU  15   6.076 -11.974  24.969
   96   3HD2  LEU  15          2HD2      LEU  15   6.514 -13.172  23.758
   97    H    ASN  16           H        ASN  16   8.210  -9.239  20.920
   98    HA   ASN  16           HA       ASN  16  10.235  -7.296  21.219
   99   1HB   ASN  16          1HB       ASN  16   9.391  -8.322  18.500
  100   2HB   ASN  16          2HB       ASN  16  11.010  -8.148  19.155
  101   1HD2  ASN  16          2HD2      ASN  16  10.886 -11.223  20.985
  102   2HD2  ASN  16          1HD2      ASN  16  11.599  -9.682  20.965
  103    H    GLY  17           H        GLY  17  10.432  -6.100  18.623
  104   1HA   GLY  17          1HA       GLY  17   8.957  -3.683  19.059
  105   2HA   GLY  17          2HA       GLY  17   9.807  -4.090  17.566
  106    H    GLY  18           H        GLY  18   8.358  -3.837  15.933
  107   1HA   GLY  18          1HA       GLY  18   6.499  -5.342  14.938
  108   2HA   GLY  18          2HA       GLY  18   5.614  -4.920  16.389
  109    H    VAL  19           H        VAL  19   5.787  -4.267  13.246
  110    HA   VAL  19           HA       VAL  19   5.039  -1.450  13.523
  111    HB   VAL  19           HB       VAL  19   5.784  -3.039  11.043
  112   1HG1  VAL  19          3HG1      VAL  19   4.604  -0.391  11.478
  113   2HG1  VAL  19          1HG1      VAL  19   6.064  -0.339  10.493
  114   3HG1  VAL  19          2HG1      VAL  19   4.704  -1.339   9.997
  115   1HG2  VAL  19          2HG2      VAL  19   7.669  -2.645  12.644
  116   2HG2  VAL  19          3HG2      VAL  19   7.893  -1.789  11.118
  117   3HG2  VAL  19          1HG2      VAL  19   7.345  -0.915  12.547
  118    H    CYS  20           H        CYS  20   2.948  -1.474  13.998
  119    HA   CYS  20           HA       CYS  20   0.999  -3.352  13.224
  120   1HB   CYS  20          1HB       CYS  20   0.307  -2.040  14.910
  121   2HB   CYS  20          2HB       CYS  20   1.088  -0.613  14.287
  122    H    MET  21           H        MET  21  -0.359  -3.638  11.636
  123    HA   MET  21           HA       MET  21  -0.752  -1.619   9.514
  124   1HB   MET  21          1HB       MET  21  -0.110  -4.367   8.507
  125   2HB   MET  21          2HB       MET  21   0.275  -2.807   7.790
  126   1HG   MET  21          1HG       MET  21   2.079  -2.512   9.475
  127   2HG   MET  21          2HG       MET  21   1.683  -4.072  10.151
  128   1HE   MET  21          1HE       MET  21   1.209  -4.547   6.568
  129   2HE   MET  21          2HE       MET  21   2.072  -3.024   6.359
  130   3HE   MET  21          3HE       MET  21   2.796  -4.529   5.807
  131    H    HIS  22           H        HIS  22  -2.248  -2.618   7.778
  132    HA   HIS  22           HA       HIS  22  -4.255  -4.388   9.129
  133   1HB   HIS  22          1HB       HIS  22  -6.012  -3.036   8.296
  134   2HB   HIS  22          2HB       HIS  22  -4.796  -1.828   8.697
  135    HD1  HIS  22           HD1      HIS  22  -6.518  -3.269   5.841
  136    HD2  HIS  22           HD2      HIS  22  -3.352  -0.786   6.428
  137    HE1  HIS  22           HE1      HIS  22  -6.066  -2.268   3.662
  138    H    ILE  23           H        ILE  23  -2.373  -3.756   6.326
  139    HA   ILE  23           HA       ILE  23  -2.106  -4.916   4.317
  140    HB   ILE  23           HB       ILE  23  -3.614  -7.132   5.775
  141   1HG1  ILE  23          1HG1      ILE  23  -0.634  -6.563   5.761
  142   2HG1  ILE  23          2HG1      ILE  23  -1.708  -6.216   7.111
  143   1HG2  ILE  23          2HG2      ILE  23  -2.385  -6.907   3.165
  144   2HG2  ILE  23          3HG2      ILE  23  -1.435  -8.032   4.131
  145   3HG2  ILE  23          1HG2      ILE  23  -3.152  -8.318   3.882
  146   1HD1  ILE  23          1HD1      ILE  23  -2.166  -8.921   6.250
  147   2HD1  ILE  23          2HD1      ILE  23  -0.438  -8.689   6.491
  148   3HD1  ILE  23          3HD1      ILE  23  -1.559  -8.357   7.804
  149    H    GLU  24           H        GLU  24  -3.116  -4.929   2.415
  150    HA   GLU  24           HA       GLU  24  -5.754  -3.992   2.118
  151   1HB   GLU  24          1HB       GLU  24  -3.830  -4.188   0.361
  152   2HB   GLU  24          2HB       GLU  24  -4.420  -5.823   0.089
  153   1HG   GLU  24          1HG       GLU  24  -6.771  -4.479  -0.020
  154   2HG   GLU  24          2HG       GLU  24  -5.688  -3.216  -0.595
  155    H    SER  25           H        SER  25  -7.017  -5.253   3.579
  156    HA   SER  25           HA       SER  25  -8.282  -7.512   2.244
  157   1HB   SER  25          1HB       SER  25  -7.761  -8.715   4.714
  158   2HB   SER  25          2HB       SER  25  -6.843  -9.051   3.233
  159    HG   SER  25           HG       SER  25  -5.283  -8.235   4.452
  160    H    LEU  26           H        LEU  26 -10.157  -8.300   3.433
  161    HA   LEU  26           HA       LEU  26 -11.689  -6.170   4.523
  162   1HB   LEU  26          1HB       LEU  26 -12.225  -8.719   3.604
  163   2HB   LEU  26          2HB       LEU  26 -12.443  -8.930   5.333
  164    HG   LEU  26           HG       LEU  26 -13.914  -6.800   5.249
  165   1HD1  LEU  26          3HD1      LEU  26 -13.542  -7.385   2.300
  166   2HD1  LEU  26          1HD1      LEU  26 -15.016  -6.628   2.890
  167   3HD1  LEU  26          2HD1      LEU  26 -13.469  -5.833   3.130
  168   1HD2  LEU  26          3HD2      LEU  26 -14.667  -9.329   5.257
  169   2HD2  LEU  26          1HD2      LEU  26 -15.847  -8.081   4.885
  170   3HD2  LEU  26          2HD2      LEU  26 -15.110  -9.008   3.584
  171    H    ASP  27           H        ASP  27  -9.293  -8.058   5.978
  172    HA   ASP  27           HA       ASP  27  -9.929  -6.840   8.595
  173   1HB   ASP  27          1HB       ASP  27  -9.679  -9.851   8.139
  174   2HB   ASP  27          2HB       ASP  27  -9.653  -9.099   9.732
  175    H    SER  28           H        SER  28  -8.014  -9.465   9.086
  176    HA   SER  28           HA       SER  28  -5.743  -9.680   9.575
  177   1HB   SER  28          1HB       SER  28  -5.932  -8.426   6.855
  178   2HB   SER  28          2HB       SER  28  -4.331  -8.424   7.621
  179    HG   SER  28           HG       SER  28  -6.074 -10.627   7.216
  180    OH   TYR  29           OH       TYR  29  -9.820  -3.762  10.329
  181    H    TYR  29           H        TYR  29  -4.862  -8.736  11.240
  182    HA   TYR  29           HA       TYR  29  -3.988  -5.900  11.061
  183   1HB   TYR  29          1HB       TYR  29  -5.652  -7.107  13.333
  184   2HB   TYR  29          2HB       TYR  29  -4.855  -5.543  13.427
  185    HD1  TYR  29           HD2      TYR  29  -5.393  -4.015  11.214
  186    HD2  TYR  29           HD1      TYR  29  -7.924  -7.035  12.819
  187    HE1  TYR  29           HE2      TYR  29  -7.340  -2.929  10.195
  188    HE2  TYR  29           HE1      TYR  29  -9.863  -5.960  11.770
  189    HH   TYR  29           HH       TYR  29 -10.486  -4.434  10.170
  190    H    THR  30           H        THR  30  -1.791  -6.122  11.410
  191    HA   THR  30           HA       THR  30  -0.994  -7.508  13.904
  192    HB   THR  30           HB       THR  30  -1.156  -9.293  12.016
  193    HG1  THR  30           HG1      THR  30   0.906 -10.076  12.675
  194   1HG2  THR  30          2HG2      THR  30   0.163  -7.430  10.467
  195   2HG2  THR  30          3HG2      THR  30   1.545  -8.285  11.145
  196   3HG2  THR  30          1HG2      THR  30   0.346  -9.162  10.201
  197    H    CYS  31           H        CYS  31   1.424  -7.584  14.098
  198    HA   CYS  31           HA       CYS  31   2.534  -4.972  13.167
  199   1HB   CYS  31          1HB       CYS  31   3.595  -4.811  15.227
  200   2HB   CYS  31          2HB       CYS  31   2.147  -5.673  15.678
  201    H    ASN  32           H        ASN  32   3.964  -5.242  11.537
  202    HA   ASN  32           HA       ASN  32   5.121  -7.688  10.718
  203   1HB   ASN  32          1HB       ASN  32   5.034  -5.269   9.605
  204   2HB   ASN  32          2HB       ASN  32   6.609  -5.082  10.375
  205   1HD2  ASN  32          2HD2      ASN  32   6.245  -7.524   7.139
  206   2HD2  ASN  32          1HD2      ASN  32   4.877  -6.794   7.830
  207    H    CYS  33           H        CYS  33   6.886  -8.836  11.352
  208    HA   CYS  33           HA       CYS  33   8.019  -8.324  13.899
  209   1HB   CYS  33          1HB       CYS  33   8.202 -10.315  11.834
  210   2HB   CYS  33          2HB       CYS  33   9.807  -9.985  12.429
  211    H    VAL  34           H        VAL  34  10.920  -8.864  13.308
  212    HA   VAL  34           HA       VAL  34  11.599  -6.256  12.024
  213    HB   VAL  34           HB       VAL  34  13.247  -6.342  14.270
  214   1HG1  VAL  34          3HG1      VAL  34  10.647  -4.876  13.790
  215   2HG1  VAL  34          1HG1      VAL  34  11.825  -4.440  15.024
  216   3HG1  VAL  34          2HG1      VAL  34  12.254  -4.332  13.320
  217   1HG2  VAL  34          2HG2      VAL  34  11.702  -8.138  15.157
  218   2HG2  VAL  34          3HG2      VAL  34  11.785  -6.698  16.169
  219   3HG2  VAL  34          1HG2      VAL  34  10.401  -6.954  15.112
  220    H    ILE  35           H        ILE  35  14.094  -5.918  12.495
  221    HA   ILE  35           HA       ILE  35  15.389  -7.943  10.866
  222    HB   ILE  35           HB       ILE  35  15.982  -5.173  11.913
  223   1HG1  ILE  35          1HG1      ILE  35  16.642  -6.176   9.170
  224   2HG1  ILE  35          2HG1      ILE  35  14.948  -5.960   9.595
  225   1HG2  ILE  35          1HG2      ILE  35  17.999  -7.270  11.061
  226   2HG2  ILE  35          2HG2      ILE  35  18.315  -5.566  10.764
  227   3HG2  ILE  35          3HG2      ILE  35  18.092  -6.141  12.406
  228   1HD1  ILE  35          2HD1      ILE  35  16.878  -3.765  10.272
  229   2HD1  ILE  35          3HD1      ILE  35  16.364  -3.940   8.595
  230   3HD1  ILE  35          1HD1      ILE  35  15.167  -3.658   9.856
  231    H    GLY  36           H        GLY  36  15.923  -9.660  11.922
  232   1HA   GLY  36          1HA       GLY  36  17.886 -10.500  13.271
  233   2HA   GLY  36          2HA       GLY  36  17.358  -9.374  14.514
  234    OH   TYR  37           OH       TYR  37  13.773  -6.679  18.641
  235    H    TYR  37           H        TYR  37  14.514 -10.080  13.660
  236    HA   TYR  37           HA       TYR  37  14.490 -12.831  14.583
  237   1HB   TYR  37          1HB       TYR  37  13.053 -12.342  16.491
  238   2HB   TYR  37          2HB       TYR  37  14.786 -11.986  16.556
  239    HD1  TYR  37           HD2      TYR  37  14.105  -9.135  14.895
  240    HD2  TYR  37           HD1      TYR  37  12.746 -11.031  18.385
  241    HE1  TYR  37           HE2      TYR  37  14.329  -7.073  16.071
  242    HE2  TYR  37           HE1      TYR  37  13.099  -9.046  19.646
  243    HH   TYR  37           HH       TYR  37  13.343  -6.001  18.115
  244    H    SER  38           H        SER  38  12.673 -13.978  14.621
  245    HA   SER  38           HA       SER  38  10.234 -12.815  13.488
  246   1HB   SER  38          1HB       SER  38  10.261 -13.879  11.343
  247   2HB   SER  38          2HB       SER  38  11.937 -13.329  11.537
  248    HG   SER  38           HG       SER  38  12.002 -15.501  12.789
  249    H    GLY  39           H        GLY  39   9.055 -15.068  12.443
  250   1HA   GLY  39          1HA       GLY  39   8.607 -17.436  13.147
  251   2HA   GLY  39          2HA       GLY  39   8.894 -16.906  14.807
  252    H    ASP  40           H        ASP  40   6.970 -16.775  15.876
  253    HA   ASP  40           HA       ASP  40   4.501 -16.299  14.382
  254   1HB   ASP  40          1HB       ASP  40   4.202 -15.951  17.262
  255   2HB   ASP  40          2HB       ASP  40   3.603 -17.268  16.266
  256    NH1  ARG  41           NH1      ARG  41   1.217 -14.054  19.767
  257    NH2  ARG  41           NH2      ARG  41   1.883 -13.458  21.874
  258    H    ARG  41           H        ARG  41   6.727 -14.556  16.361
  259    HA   ARG  41           HA       ARG  41   6.019 -11.987  15.324
  260   1HB   ARG  41          1HB       ARG  41   5.492 -11.242  17.933
  261   2HB   ARG  41          2HB       ARG  41   4.234 -11.573  16.759
  262   1HG   ARG  41          1HG       ARG  41   3.837 -13.726  17.602
  263   2HG   ARG  41          2HG       ARG  41   5.383 -13.794  18.445
  264   1HD   ARG  41          1HD       ARG  41   4.592 -12.007  19.978
  265   2HD   ARG  41          2HD       ARG  41   3.050 -11.968  19.125
  266    HE   ARG  41           HE       ARG  41   3.998 -14.457  20.479
  267   1HH1  ARG  41          1HH1      ARG  41   1.461 -14.268  18.821
  268   2HH1  ARG  41          2HH1      ARG  41   0.260 -14.081  20.055
  269   1HH2  ARG  41          1HH2      ARG  41   2.625 -13.232  22.504
  270   2HH2  ARG  41          2HH2      ARG  41   0.936 -13.460  22.195
  271    H    CYS  42           H        CYS  42   8.306 -13.269  15.298
  272    HA   CYS  42           HA       CYS  42  10.575 -13.065  15.828
  273   1HB   CYS  42          1HB       CYS  42  10.427 -10.737  17.500
  274   2HB   CYS  42          2HB       CYS  42  11.226 -10.980  15.967
  275    H    GLN  43           H        GLN  43   8.396 -14.113  17.782
  276    HA   GLN  43           HA       GLN  43   9.392 -13.829  20.404
  277   1HB   GLN  43          1HB       GLN  43   7.355 -15.262  19.635
  278   2HB   GLN  43          2HB       GLN  43   8.524 -16.510  19.207
  279   1HG   GLN  43          1HG       GLN  43   9.353 -15.853  21.733
  280   2HG   GLN  43          2HG       GLN  43   7.617 -15.609  21.876
  281   1HE2  GLN  43          2HE2      GLN  43   6.838 -19.070  21.274
  282   2HE2  GLN  43          1HE2      GLN  43   6.233 -17.498  21.061
  283    H    THR  44           H        THR  44  10.446 -15.506  17.571
  284    HA   THR  44           HA       THR  44  12.678 -16.842  18.933
  285    HB   THR  44           HB       THR  44  12.476 -16.363  15.903
  286    HG1  THR  44           HG1      THR  44  11.225 -18.462  17.336
  287   1HG2  THR  44          1HG2      THR  44  14.294 -17.773  17.390
  288   2HG2  THR  44          2HG2      THR  44  13.044 -19.004  17.243
  289   3HG2  THR  44          3HG2      THR  44  13.787 -18.329  15.796
  290    NH1  ARG  45           NH1      ARG  45  14.210  -8.463  24.019
  291    NH2  ARG  45           NH2      ARG  45  14.131  -7.108  22.177
  292    H    ARG  45           H        ARG  45  13.099 -14.824  19.914
  293    HA   ARG  45           HA       ARG  45  14.264 -12.677  18.326
  294   1HB   ARG  45          1HB       ARG  45  12.895 -12.076  20.274
  295   2HB   ARG  45          2HB       ARG  45  13.842 -13.137  21.302
  296   1HG   ARG  45          1HG       ARG  45  15.763 -11.707  21.119
  297   2HG   ARG  45          2HG       ARG  45  14.993 -10.728  19.876
  298   1HD   ARG  45          1HD       ARG  45  13.164 -10.225  21.584
  299   2HD   ARG  45          2HD       ARG  45  14.175 -11.003  22.791
  300    HE   ARG  45           HE       ARG  45  15.823  -9.088  21.607
  301   1HH1  ARG  45          1HH1      ARG  45  14.441  -9.352  24.420
  302   2HH1  ARG  45          2HH1      ARG  45  13.811  -7.746  24.590
  303   1HH2  ARG  45          1HH2      ARG  45  14.303  -6.980  21.201
  304   2HH2  ARG  45          2HH2      ARG  45  13.727  -6.369  22.714
  305    H    ASP  46           H        ASP  46  16.242 -12.643  17.678
  306    HA   ASP  46           HA       ASP  46  18.133 -14.475  18.878
  307   1HB   ASP  46          1HB       ASP  46  18.120 -12.586  16.546
  308   2HB   ASP  46          2HB       ASP  46  19.697 -12.987  17.210
  309    H    LEU  47           H        LEU  47  17.153 -12.803  20.687
  310    HA   LEU  47           HA       LEU  47  17.655 -11.183  22.311
  311   1HB   LEU  47          1HB       LEU  47  20.461 -12.269  21.748
  312   2HB   LEU  47          2HB       LEU  47  19.933 -11.503  23.238
  313    HG   LEU  47           HG       LEU  47  18.401 -13.895  22.280
  314   1HD1  LEU  47          2HD1      LEU  47  21.199 -13.896  23.412
  315   2HD1  LEU  47          3HD1      LEU  47  20.108 -15.249  23.688
  316   3HD1  LEU  47          1HD1      LEU  47  20.574 -14.815  22.047
  317   1HD2  LEU  47          2HD2      LEU  47  17.746 -12.575  24.298
  318   2HD2  LEU  47          3HD2      LEU  47  18.166 -14.237  24.695
  319   3HD2  LEU  47          1HD2      LEU  47  19.312 -12.940  25.012
  320    NH1  ARG  48           NH2      ARG  48  18.930  -3.126  24.758
  321    NH2  ARG  48           NH1      ARG  48  20.639  -3.213  26.274
  322    H    ARG  48           H        ARG  48  19.299  -9.608  23.018
  323    HA   ARG  48           HA       ARG  48  19.081  -7.351  21.544
  324   1HB   ARG  48          1HB       ARG  48  21.245  -8.202  23.465
  325   2HB   ARG  48          2HB       ARG  48  21.097  -6.545  22.885
  326   1HG   ARG  48          1HG       ARG  48  18.543  -7.764  23.775
  327   2HG   ARG  48          2HG       ARG  48  19.729  -7.588  25.071
  328   1HD   ARG  48          1HD       ARG  48  19.281  -5.257  23.248
  329   2HD   ARG  48          2HD       ARG  48  18.041  -5.620  24.436
  330    HE   ARG  48           HE       ARG  48  20.523  -5.625  25.799
  331   1HH1  ARG  48          1HH2      ARG  48  18.321  -3.604  24.125
  332   2HH1  ARG  48          2HH2      ARG  48  18.849  -2.136  24.878
  333   1HH2  ARG  48          1HH1      ARG  48  21.310  -3.756  26.777
  334   2HH2  ARG  48          2HH1      ARG  48  20.587  -2.223  26.416
  335    CH2  TRP  49           CH2      TRP  49  21.248  -8.098  12.618
  336    H    TRP  49           H        TRP  49  19.416  -7.216  19.523
  337    HA   TRP  49           HA       TRP  49  22.126  -6.959  18.590
  338   1HB   TRP  49          1HB       TRP  49  22.422  -8.995  17.585
  339   2HB   TRP  49          2HB       TRP  49  21.078  -9.546  18.556
  340    HD1  TRP  49           HD1      TRP  49  18.956 -10.511  17.183
  341    HE1  TRP  49           HE1      TRP  49  18.795 -10.871  14.695
  342    HE3  TRP  49           HE3      TRP  49  22.319  -7.201  15.671
  343    HZ2  TRP  49           HZ2      TRP  49  19.795  -9.612  12.220
  344    HZ3  TRP  49           HZ3      TRP  49  22.655  -6.647  13.310
  345    HH2  TRP  49           HH2      TRP  49  21.376  -7.835  11.577
  346    CH2  TRP  50           CH2      TRP  50  17.537  -5.500  21.240
  347    H    TRP  50           H        TRP  50  21.316  -4.863  18.201
  348    HA   TRP  50           HA       TRP  50  20.793  -3.995  15.710
  349   1HB   TRP  50          1HB       TRP  50  18.216  -3.793  15.626
  350   2HB   TRP  50          2HB       TRP  50  18.936  -5.331  15.232
  351    HD1  TRP  50           HD1      TRP  50  16.304  -5.960  15.841
  352    HE1  TRP  50           HE1      TRP  50  15.636  -7.214  17.931
  353    HE3  TRP  50           HE3      TRP  50  19.581  -4.017  19.100
  354    HZ2  TRP  50           HZ2      TRP  50  16.213  -7.099  20.818
  355    HZ3  TRP  50           HZ3      TRP  50  19.031  -3.981  21.401
  356    HH2  TRP  50           HH2      TRP  50  17.307  -5.507  22.286
  357    H    GLU  51           H        GLU  51  17.996  -3.380  17.524
  358    HA   GLU  51           HA       GLU  51  18.813  -0.594  18.057
  359   1HB   GLU  51          1HB       GLU  51  16.568  -1.907  16.890
  360   2HB   GLU  51          2HB       GLU  51  16.011  -1.278  18.449
  361   1HG   GLU  51          1HG       GLU  51  15.687   0.474  16.774
  362   2HG   GLU  51          2HG       GLU  51  16.973   0.968  17.872
  363    H    LEU  52           H        LEU  52  19.140   0.052  20.088
  364    HA   LEU  52           HA       LEU  52  18.302  -1.725  22.310
  365   1HB   LEU  52          1HB       LEU  52  19.822   0.896  22.597
  366   2HB   LEU  52          2HB       LEU  52  19.869  -0.506  23.659
  367    HG   LEU  52           HG       LEU  52  20.700  -1.555  21.227
  368   1HD1  LEU  52          2HD1      LEU  52  20.847   0.777  20.338
  369   2HD1  LEU  52          3HD1      LEU  52  21.973   1.172  21.634
  370   3HD1  LEU  52          1HD1      LEU  52  22.421  -0.011  20.407
  371   1HD2  LEU  52          3HD2      LEU  52  22.271  -0.439  23.571
  372   2HD2  LEU  52          1HD2      LEU  52  21.716  -2.098  23.359
  373   3HD2  LEU  52          2HD2      LEU  52  22.982  -1.452  22.318
  374    NH1  ARG  53           NH2      ARG  53  19.328   6.729  23.611
  375    NH2  ARG  53           NH1      ARG  53  17.958   8.535  23.313
  376    H    ARG  53           H        ARG  53  18.025   1.680  21.337
  377    HA   ARG  53           HA       ARG  53  15.657   1.925  23.157
  378   1HB   ARG  53          1HB       ARG  53  17.918   3.433  23.236
  379   2HB   ARG  53          2HB       ARG  53  17.025   4.344  22.025
  380   1HG   ARG  53          1HG       ARG  53  15.117   4.561  23.559
  381   2HG   ARG  53          2HG       ARG  53  15.955   3.591  24.764
  382   1HD   ARG  53          1HD       ARG  53  16.148   6.071  25.169
  383   2HD   ARG  53          2HD       ARG  53  17.707   5.271  24.981
  384    HE   ARG  53           HE       ARG  53  16.558   6.442  22.525
  385   1HH1  ARG  53          1HH2      ARG  53  19.433   5.738  23.691
  386   2HH1  ARG  53          2HH2      ARG  53  20.130   7.324  23.679
  387   1HH2  ARG  53          1HH1      ARG  53  17.037   8.896  23.170
  388   2HH2  ARG  53          2HH1      ARG  53  18.736   9.161  23.377
   
  Start of MODEL           2
 Raw file had 388 H/Q atoms
  Start of MODEL    2
    1   1H    ASN   1          1H        ASN   1   3.113   1.483   0.266
    2   2H    ASN   1          2H        ASN   1   3.032  -0.093  -0.365
    3   3H    ASN   1          3H        ASN   1   2.659   1.239  -1.352
    4    HA   ASN   1           HA       ASN   1   0.696   1.721  -0.162
    5   1HB   ASN   1          1HB       ASN   1   0.622  -0.228  -1.808
    6   2HB   ASN   1          2HB       ASN   1   0.895  -1.320  -0.452
    7   1HD2  ASN   1          2HD2      ASN   1  -2.809  -0.930  -1.070
    8   2HD2  ASN   1          1HD2      ASN   1  -1.509  -1.362  -2.072
    9    H    SER   2           H        SER   2   2.855  -0.461   1.465
   10    HA   SER   2           HA       SER   2   1.184  -1.046   3.720
   11   1HB   SER   2          1HB       SER   2   3.398  -1.625   4.821
   12   2HB   SER   2          2HB       SER   2   3.263  -2.331   3.200
   13    HG   SER   2           HG       SER   2   4.099   0.230   3.077
   14    OH   TYR   3           OH       TYR   3  -4.702   3.267   7.075
   15    H    TYR   3           H        TYR   3   0.992  -0.094   5.695
   16    HA   TYR   3           HA       TYR   3   2.561   2.117   6.624
   17   1HB   TYR   3          1HB       TYR   3   1.287   3.980   5.955
   18   2HB   TYR   3          2HB       TYR   3   0.869   2.923   4.622
   19    HD1  TYR   3           HD1      TYR   3  -1.074   1.103   5.464
   20    HD2  TYR   3           HD2      TYR   3  -0.577   5.103   6.820
   21    HE1  TYR   3           HE1      TYR   3  -3.455   1.214   6.027
   22    HE2  TYR   3           HE2      TYR   3  -2.953   5.193   7.416
   23    HH   TYR   3           HH       TYR   3  -4.833   2.802   7.904
   24    HA   PRO   4           HA       PRO   4   0.844   0.889  10.479
   25   1HB   PRO   4          1HB       PRO   4  -0.030   3.614  11.191
   26   2HB   PRO   4          2HB       PRO   4   1.226   2.627  11.940
   27   1HG   PRO   4          1HG       PRO   4   1.604   4.858  10.187
   28   2HG   PRO   4          2HG       PRO   4   2.850   3.786  10.828
   29   1HD   PRO   4          2HD       PRO   4   1.928   3.952   8.121
   30   2HD   PRO   4          1HD       PRO   4   3.113   2.813   8.775
   31    H    GLY   5           H        GLY   5  -1.146   0.348  11.377
   32   1HA   GLY   5          1HA       GLY   5  -3.603   1.613  11.111
   33   2HA   GLY   5          2HA       GLY   5  -3.423   0.704   9.618
   34    H    CYS   6           H        CYS   6  -4.521   0.553  12.780
   35    HA   CYS   6           HA       CYS   6  -5.325  -2.201  12.504
   36   1HB   CYS   6          1HB       CYS   6  -3.932  -3.200  14.189
   37   2HB   CYS   6          2HB       CYS   6  -2.879  -2.402  13.055
   38    HA   PRO   7           HA       PRO   7  -8.301  -0.478  15.359
   39   1HB   PRO   7          1HB       PRO   7  -8.652  -3.197  16.460
   40   2HB   PRO   7          2HB       PRO   7  -9.843  -2.173  15.654
   41   1HG   PRO   7          1HG       PRO   7  -8.553  -4.432  14.541
   42   2HG   PRO   7          2HG       PRO   7  -9.507  -3.239  13.658
   43   1HD   PRO   7          2HD       PRO   7  -6.655  -3.662  13.545
   44   2HD   PRO   7          1HD       PRO   7  -7.618  -2.484  12.642
   45    H    SER   8           H        SER   8  -8.906  -1.146  17.794
   46    HA   SER   8           HA       SER   8  -6.893  -0.104  19.373
   47   1HB   SER   8          1HB       SER   8  -8.187  -1.256  21.305
   48   2HB   SER   8          2HB       SER   8  -9.195  -0.291  20.206
   49    HG   SER   8           HG       SER   8  -9.357  -2.882  20.675
   50    H    SER   9           H        SER   9  -7.764  -3.099  20.681
   51    HA   SER   9           HA       SER   9  -5.884  -4.293  21.866
   52   1HB   SER   9          1HB       SER   9  -6.141  -6.470  20.620
   53   2HB   SER   9          2HB       SER   9  -7.700  -5.640  20.793
   54    HG   SER   9           HG       SER   9  -7.648  -5.059  18.737
   55    OH   TYR  10           OH       TYR  10  -5.667  -9.155  15.137
   56    H    TYR  10           H        TYR  10  -5.358  -4.286  18.338
   57    HA   TYR  10           HA       TYR  10  -2.748  -5.313  18.378
   58   1HB   TYR  10          1HB       TYR  10  -4.156  -3.367  16.505
   59   2HB   TYR  10          2HB       TYR  10  -2.513  -3.924  16.177
   60    HD1  TYR  10           HD2      TYR  10  -2.262  -6.593  16.579
   61    HD2  TYR  10           HD1      TYR  10  -5.840  -4.617  15.432
   62    HE1  TYR  10           HE2      TYR  10  -3.259  -8.751  16.179
   63    HE2  TYR  10           HE1      TYR  10  -6.836  -6.804  14.877
   64    HH   TYR  10           HH       TYR  10  -6.245  -9.411  15.860
   65    H    ASP  11           H        ASP  11  -3.559  -2.605  20.035
   66    HA   ASP  11           HA       ASP  11  -1.570  -0.723  19.404
   67   1HB   ASP  11          1HB       ASP  11  -3.197  -0.176  21.128
   68   2HB   ASP  11          2HB       ASP  11  -2.768  -1.598  22.073
   69    H    GLY  12           H        GLY  12  -1.281  -3.906  20.568
   70   1HA   GLY  12          1HA       GLY  12   1.475  -4.156  20.254
   71   2HA   GLY  12          2HA       GLY  12   1.266  -3.648  21.926
   72    OH   TYR  13           OH       TYR  13   0.924 -11.407  15.448
   73    H    TYR  13           H        TYR  13   0.041  -6.070  19.602
   74    HA   TYR  13           HA       TYR  13  -0.703  -7.852  21.820
   75   1HB   TYR  13          1HB       TYR  13  -1.937  -8.981  20.208
   76   2HB   TYR  13          2HB       TYR  13  -1.691  -7.519  19.276
   77    HD1  TYR  13           HD2      TYR  13   0.018 -10.851  19.863
   78    HD2  TYR  13           HD1      TYR  13  -0.750  -7.631  17.219
   79    HE1  TYR  13           HE2      TYR  13   0.893 -12.176  17.971
   80    HE2  TYR  13           HE1      TYR  13  -0.119  -8.969  15.340
   81    HH   TYR  13           HH       TYR  13   0.638 -10.976  14.639
   82    H    CYS  14           H        CYS  14   1.875  -7.377  19.634
   83    HA   CYS  14           HA       CYS  14   3.162  -9.950  20.399
   84   1HB   CYS  14          1HB       CYS  14   4.269  -7.791  18.602
   85   2HB   CYS  14          2HB       CYS  14   4.735  -9.465  18.651
   86    H    LEU  15           H        LEU  15   5.383 -10.014  21.046
   87    HA   LEU  15           HA       LEU  15   6.017  -7.953  23.035
   88   1HB   LEU  15          1HB       LEU  15   8.070 -10.020  22.282
   89   2HB   LEU  15          2HB       LEU  15   7.545  -9.523  23.882
   90    HG   LEU  15           HG       LEU  15   5.277 -10.756  22.980
   91   1HD1  LEU  15          1HD1      LEU  15   6.495 -11.376  20.856
   92   2HD1  LEU  15          2HD1      LEU  15   7.634 -12.292  21.830
   93   3HD1  LEU  15          3HD1      LEU  15   5.943 -12.780  21.766
   94   1HD2  LEU  15          3HD2      LEU  15   7.714 -11.795  24.423
   95   2HD2  LEU  15          1HD2      LEU  15   6.160 -11.324  25.099
   96   3HD2  LEU  15          2HD2      LEU  15   6.304 -12.816  24.178
   97    H    ASN  16           H        ASN  16   8.986  -8.317  22.509
   98    HA   ASN  16           HA       ASN  16  10.557  -6.838  21.467
   99   1HB   ASN  16          1HB       ASN  16   9.336  -7.558  18.839
  100   2HB   ASN  16          2HB       ASN  16  10.995  -7.773  19.391
  101   1HD2  ASN  16          2HD2      ASN  16  10.443 -11.040  20.652
  102   2HD2  ASN  16          1HD2      ASN  16  11.515  -9.725  20.571
  103    H    GLY  17           H        GLY  17  10.306  -5.614  18.894
  104   1HA   GLY  17          1HA       GLY  17   8.933  -3.181  19.646
  105   2HA   GLY  17          2HA       GLY  17   9.645  -3.507  18.063
  106    H    GLY  18           H        GLY  18   8.391  -4.853  16.573
  107   1HA   GLY  18          1HA       GLY  18   6.367  -5.738  15.698
  108   2HA   GLY  18          2HA       GLY  18   5.552  -5.292  17.194
  109    H    VAL  19           H        VAL  19   5.300  -4.766  14.123
  110    HA   VAL  19           HA       VAL  19   4.616  -1.930  14.418
  111    HB   VAL  19           HB       VAL  19   5.519  -3.335  11.882
  112   1HG1  VAL  19          3HG1      VAL  19   4.217  -0.835  12.390
  113   2HG1  VAL  19          1HG1      VAL  19   5.870  -0.489  11.886
  114   3HG1  VAL  19          2HG1      VAL  19   4.818  -1.446  10.850
  115   1HG2  VAL  19          2HG2      VAL  19   7.336  -3.204  13.573
  116   2HG2  VAL  19          3HG2      VAL  19   7.651  -2.122  12.217
  117   3HG2  VAL  19          1HG2      VAL  19   7.046  -1.475  13.737
  118    H    CYS  20           H        CYS  20   2.509  -2.051  14.790
  119    HA   CYS  20           HA       CYS  20   0.706  -3.955  13.642
  120   1HB   CYS  20          1HB       CYS  20  -0.621  -3.063  15.170
  121   2HB   CYS  20          2HB       CYS  20   0.688  -2.002  15.596
  122    H    MET  21           H        MET  21  -0.021  -4.117  11.688
  123    HA   MET  21           HA       MET  21  -0.371  -1.637  10.039
  124   1HB   MET  21          1HB       MET  21   0.184  -4.295   8.742
  125   2HB   MET  21          2HB       MET  21   0.664  -2.685   8.206
  126   1HG   MET  21          1HG       MET  21   2.129  -2.794  10.430
  127   2HG   MET  21          2HG       MET  21   1.975  -4.514  10.173
  128   1HE   MET  21          2HE       MET  21   2.578  -1.246   8.755
  129   2HE   MET  21          3HE       MET  21   4.214  -1.291   8.102
  130   3HE   MET  21          1HE       MET  21   2.842  -1.700   7.075
  131    H    HIS  22           H        HIS  22  -1.659  -2.252   8.007
  132    HA   HIS  22           HA       HIS  22  -3.971  -3.970   8.767
  133   1HB   HIS  22          1HB       HIS  22  -5.185  -2.024   8.822
  134   2HB   HIS  22          2HB       HIS  22  -3.822  -1.103   8.210
  135    HD1  HIS  22           HD1      HIS  22  -6.957  -2.533   7.103
  136    HD2  HIS  22           HD2      HIS  22  -3.644  -0.991   5.323
  137    HE1  HIS  22           HE1      HIS  22  -7.602  -2.101   4.790
  138    H    ILE  23           H        ILE  23  -2.308  -2.323   6.115
  139    HA   ILE  23           HA       ILE  23  -2.027  -2.913   3.870
  140    HB   ILE  23           HB       ILE  23  -2.384  -5.732   5.012
  141   1HG1  ILE  23          1HG1      ILE  23   0.297  -4.526   4.451
  142   2HG1  ILE  23          2HG1      ILE  23  -0.526  -4.028   5.923
  143   1HG2  ILE  23          2HG2      ILE  23  -1.073  -4.623   2.487
  144   2HG2  ILE  23          3HG2      ILE  23  -0.879  -6.286   3.032
  145   3HG2  ILE  23          1HG2      ILE  23  -2.466  -5.696   2.564
  146   1HD1  ILE  23          1HD1      ILE  23  -0.069  -6.924   5.125
  147   2HD1  ILE  23          2HD1      ILE  23   0.943  -6.038   6.258
  148   3HD1  ILE  23          3HD1      ILE  23  -0.746  -6.350   6.645
  149    H    GLU  24           H        GLU  24  -3.139  -3.624   1.976
  150    HA   GLU  24           HA       GLU  24  -6.061  -3.756   2.428
  151   1HB   GLU  24          1HB       GLU  24  -4.547  -3.576  -0.216
  152   2HB   GLU  24          2HB       GLU  24  -6.236  -3.173   0.064
  153   1HG   GLU  24          1HG       GLU  24  -4.766  -1.628   1.921
  154   2HG   GLU  24          2HG       GLU  24  -3.908  -1.488   0.388
  155    H    SER  25           H        SER  25  -3.441  -5.655   1.067
  156    HA   SER  25           HA       SER  25  -5.161  -7.678  -0.090
  157   1HB   SER  25          1HB       SER  25  -2.266  -8.056   0.808
  158   2HB   SER  25          2HB       SER  25  -3.095  -8.846  -0.548
  159    HG   SER  25           HG       SER  25  -1.793  -6.557  -0.582
  160    H    LEU  26           H        LEU  26  -6.192  -9.272   0.889
  161    HA   LEU  26           HA       LEU  26  -6.992 -10.597   2.662
  162   1HB   LEU  26          1HB       LEU  26  -4.029 -10.961   2.414
  163   2HB   LEU  26          2HB       LEU  26  -4.737 -11.571   3.899
  164    HG   LEU  26           HG       LEU  26  -4.652 -13.314   2.135
  165   1HD1  LEU  26          1HD1      LEU  26  -6.765 -12.742   3.804
  166   2HD1  LEU  26          2HD1      LEU  26  -7.564 -12.871   2.241
  167   3HD1  LEU  26          3HD1      LEU  26  -6.607 -14.217   2.855
  168   1HD2  LEU  26          2HD2      LEU  26  -4.890 -11.757   0.199
  169   2HD2  LEU  26          3HD2      LEU  26  -6.010 -13.112   0.120
  170   3HD2  LEU  26          1HD2      LEU  26  -6.583 -11.526   0.615
  171    H    ASP  27           H        ASP  27  -7.961  -9.214   4.061
  172    HA   ASP  27           HA       ASP  27  -6.549  -7.479   5.863
  173   1HB   ASP  27          1HB       ASP  27  -9.362  -8.655   5.858
  174   2HB   ASP  27          2HB       ASP  27  -8.832  -7.476   7.057
  175    H    SER  28           H        SER  28  -6.565  -7.677   8.241
  176    HA   SER  28           HA       SER  28  -7.107  -9.971   9.718
  177   1HB   SER  28          1HB       SER  28  -5.674 -11.514   8.749
  178   2HB   SER  28          2HB       SER  28  -4.691 -10.253   7.981
  179    HG   SER  28           HG       SER  28  -4.568 -11.301  10.573
  180    OH   TYR  29           OH       TYR  29  -9.747  -3.595   9.388
  181    H    TYR  29           H        TYR  29  -5.054  -7.251   9.165
  182    HA   TYR  29           HA       TYR  29  -3.942  -5.797  10.630
  183   1HB   TYR  29          1HB       TYR  29  -5.860  -7.012  12.680
  184   2HB   TYR  29          2HB       TYR  29  -5.038  -5.463  12.819
  185    HD1  TYR  29           HD2      TYR  29  -5.409  -3.895  10.642
  186    HD2  TYR  29           HD1      TYR  29  -8.080  -6.933  11.954
  187    HE1  TYR  29           HE2      TYR  29  -7.258  -2.776   9.486
  188    HE2  TYR  29           HE1      TYR  29  -9.923  -5.820  10.785
  189    HH   TYR  29           HH       TYR  29  -9.586  -2.648   9.416
  190    H    THR  30           H        THR  30  -1.891  -6.114  11.333
  191    HA   THR  30           HA       THR  30  -1.436  -7.913  13.609
  192    HB   THR  30           HB       THR  30  -1.449  -9.667  11.916
  193    HG1  THR  30           HG1      THR  30   1.252  -9.014  11.835
  194   1HG2  THR  30          2HG2      THR  30   0.071  -7.552  10.324
  195   2HG2  THR  30          3HG2      THR  30   0.363  -9.257   9.984
  196   3HG2  THR  30          1HG2      THR  30  -1.250  -8.585   9.778
  197    H    CYS  31           H        CYS  31   0.876  -8.163  14.101
  198    HA   CYS  31           HA       CYS  31   2.226  -5.556  13.695
  199   1HB   CYS  31          1HB       CYS  31   3.190  -5.933  15.757
  200   2HB   CYS  31          2HB       CYS  31   1.772  -6.931  15.949
  201    H    ASN  32           H        ASN  32   3.833  -5.425  12.235
  202    HA   ASN  32           HA       ASN  32   4.861  -7.817  10.964
  203   1HB   ASN  32          1HB       ASN  32   4.746  -5.189  10.203
  204   2HB   ASN  32          2HB       ASN  32   6.408  -5.246  10.787
  205   1HD2  ASN  32          2HD2      ASN  32   5.554  -7.956   7.810
  206   2HD2  ASN  32          1HD2      ASN  32   4.476  -7.782   9.109
  207    H    CYS  33           H        CYS  33   6.637  -8.987  11.520
  208    HA   CYS  33           HA       CYS  33   7.823  -8.472  14.075
  209   1HB   CYS  33          1HB       CYS  33   7.804 -10.555  12.106
  210   2HB   CYS  33          2HB       CYS  33   9.465 -10.269  12.544
  211    H    VAL  34           H        VAL  34  10.663  -9.181  13.306
  212    HA   VAL  34           HA       VAL  34  11.357  -6.567  12.017
  213    HB   VAL  34           HB       VAL  34  13.289  -7.212  13.990
  214   1HG1  VAL  34          2HG1      VAL  34  12.733  -4.979  13.010
  215   2HG1  VAL  34          3HG1      VAL  34  11.254  -4.982  13.970
  216   3HG1  VAL  34          1HG1      VAL  34  12.826  -4.973  14.769
  217   1HG2  VAL  34          1HG2      VAL  34  10.434  -7.096  15.009
  218   2HG2  VAL  34          2HG2      VAL  34  11.551  -8.444  15.195
  219   3HG2  VAL  34          3HG2      VAL  34  11.850  -6.926  16.035
  220    H    ILE  35           H        ILE  35  13.869  -6.430  11.957
  221    HA   ILE  35           HA       ILE  35  14.653  -8.565  10.139
  222    HB   ILE  35           HB       ILE  35  15.657  -5.829  10.952
  223   1HG1  ILE  35          1HG1      ILE  35  15.548  -6.871   8.148
  224   2HG1  ILE  35          2HG1      ILE  35  14.023  -6.578   8.973
  225   1HG2  ILE  35          1HG2      ILE  35  17.225  -8.098   9.705
  226   2HG2  ILE  35          2HG2      ILE  35  17.588  -6.437   9.251
  227   3HG2  ILE  35          3HG2      ILE  35  17.746  -6.944  10.927
  228   1HD1  ILE  35          2HD1      ILE  35  16.203  -4.491   9.008
  229   2HD1  ILE  35          3HD1      ILE  35  15.104  -4.611   7.636
  230   3HD1  ILE  35          1HD1      ILE  35  14.472  -4.276   9.245
  231    H    GLY  36           H        GLY  36  15.207 -10.306  11.215
  232   1HA   GLY  36          1HA       GLY  36  17.319 -11.313  12.171
  233   2HA   GLY  36          2HA       GLY  36  17.262 -10.040  13.376
  234    OH   TYR  37           OH       TYR  37  14.088  -6.213  18.104
  235    H    TYR  37           H        TYR  37  14.280 -10.234  13.525
  236    HA   TYR  37           HA       TYR  37  14.232 -12.894  14.782
  237   1HB   TYR  37          1HB       TYR  37  12.932 -12.026  16.650
  238   2HB   TYR  37          2HB       TYR  37  14.667 -11.775  16.548
  239    HD1  TYR  37           HD2      TYR  37  14.402  -9.135  14.705
  240    HD2  TYR  37           HD1      TYR  37  12.639 -10.474  18.311
  241    HE1  TYR  37           HE2      TYR  37  14.696  -6.957  15.638
  242    HE2  TYR  37           HE1      TYR  37  13.193  -8.378  19.371
  243    HH   TYR  37           HH       TYR  37  13.248  -5.927  18.473
  244    H    SER  38           H        SER  38  12.525 -14.089  14.987
  245    HA   SER  38           HA       SER  38   9.960 -13.131  13.912
  246   1HB   SER  38          1HB       SER  38  11.137 -15.466  12.396
  247   2HB   SER  38          2HB       SER  38   9.917 -14.291  11.862
  248    HG   SER  38           HG       SER  38  12.668 -14.105  11.899
  249    H    GLY  39           H        GLY  39   9.300 -15.888  12.988
  250   1HA   GLY  39          1HA       GLY  39   8.856 -18.059  14.017
  251   2HA   GLY  39          2HA       GLY  39   9.149 -17.329  15.600
  252    H    ASP  40           H        ASP  40   7.198 -17.352  16.685
  253    HA   ASP  40           HA       ASP  40   4.672 -17.205  15.266
  254   1HB   ASP  40          1HB       ASP  40   5.093 -18.153  17.658
  255   2HB   ASP  40          2HB       ASP  40   5.137 -16.477  18.199
  256    NH1  ARG  41           NH2      ARG  41   2.629 -12.110  21.987
  257    NH2  ARG  41           NH1      ARG  41   1.896 -14.246  22.333
  258    H    ARG  41           H        ARG  41   6.681 -15.008  17.068
  259    HA   ARG  41           HA       ARG  41   5.957 -12.705  15.518
  260   1HB   ARG  41          1HB       ARG  41   5.146 -11.592  17.896
  261   2HB   ARG  41          2HB       ARG  41   4.016 -12.229  16.720
  262   1HG   ARG  41          1HG       ARG  41   3.584 -14.146  17.954
  263   2HG   ARG  41          2HG       ARG  41   5.156 -14.125  18.752
  264   1HD   ARG  41          1HD       ARG  41   4.441 -12.119  20.049
  265   2HD   ARG  41          2HD       ARG  41   2.860 -12.202  19.277
  266    HE   ARG  41           HE       ARG  41   3.497 -14.723  20.513
  267   1HH1  ARG  41          1HH2      ARG  41   3.175 -11.468  21.446
  268   2HH1  ARG  41          2HH2      ARG  41   2.118 -11.784  22.782
  269   1HH2  ARG  41          1HH1      ARG  41   1.890 -15.207  22.053
  270   2HH2  ARG  41          2HH1      ARG  41   1.364 -13.955  23.129
  271    H    CYS  42           H        CYS  42   8.285 -13.375  15.567
  272    HA   CYS  42           HA       CYS  42  10.495 -13.004  16.212
  273   1HB   CYS  42          1HB       CYS  42  10.056 -10.663  17.826
  274   2HB   CYS  42          2HB       CYS  42  10.981 -10.869  16.349
  275    H    GLN  43           H        GLN  43   8.404 -14.260  18.095
  276    HA   GLN  43           HA       GLN  43   9.194 -13.857  20.770
  277   1HB   GLN  43          1HB       GLN  43   7.442 -15.490  20.453
  278   2HB   GLN  43          2HB       GLN  43   8.347 -16.335  19.200
  279   1HG   GLN  43          1HG       GLN  43   9.767 -17.383  20.757
  280   2HG   GLN  43          2HG       GLN  43   9.437 -16.188  22.007
  281   1HE2  GLN  43          2HE2      GLN  43   7.477 -19.099  23.049
  282   2HE2  GLN  43          1HE2      GLN  43   9.099 -18.602  23.008
  283    H    THR  44           H        THR  44  10.633 -15.317  18.041
  284    HA   THR  44           HA       THR  44  12.966 -16.332  19.535
  285    HB   THR  44           HB       THR  44  12.048 -16.424  16.601
  286    HG1  THR  44           HG1      THR  44  12.733 -18.703  17.341
  287   1HG2  THR  44          1HG2      THR  44  14.803 -16.782  17.800
  288   2HG2  THR  44          2HG2      THR  44  14.284 -17.975  16.618
  289   3HG2  THR  44          3HG2      THR  44  14.382 -16.277  16.168
  290    NH1  ARG  45           NH2      ARG  45  14.252  -8.166  24.046
  291    NH2  ARG  45           NH1      ARG  45  15.213  -9.937  25.126
  292    H    ARG  45           H        ARG  45  13.331 -14.185  20.311
  293    HA   ARG  45           HA       ARG  45  14.218 -12.152  18.414
  294   1HB   ARG  45          1HB       ARG  45  13.015 -11.307  20.333
  295   2HB   ARG  45          2HB       ARG  45  13.972 -12.288  21.435
  296   1HG   ARG  45          1HG       ARG  45  15.916 -10.923  21.079
  297   2HG   ARG  45          2HG       ARG  45  15.150 -10.073  19.742
  298   1HD   ARG  45          1HD       ARG  45  14.964  -8.645  21.685
  299   2HD   ARG  45          2HD       ARG  45  13.362  -9.334  21.422
  300    HE   ARG  45           HE       ARG  45  14.282 -11.132  23.152
  301   1HH1  ARG  45          1HH2      ARG  45  13.807  -7.800  23.229
  302   2HH1  ARG  45          2HH2      ARG  45  14.410  -7.573  24.837
  303   1HH2  ARG  45          1HH1      ARG  45  15.487 -10.900  25.115
  304   2HH2  ARG  45          2HH1      ARG  45  15.387  -9.379  25.937
  305    H    ASP  46           H        ASP  46  16.161 -11.970  17.661
  306    HA   ASP  46           HA       ASP  46  18.234 -13.643  18.770
  307   1HB   ASP  46          1HB       ASP  46  17.852 -12.724  16.260
  308   2HB   ASP  46          2HB       ASP  46  18.893 -11.428  16.842
  309    H    LEU  47           H        LEU  47  17.348 -12.107  20.688
  310    HA   LEU  47           HA       LEU  47  17.849 -10.460  22.272
  311   1HB   LEU  47          1HB       LEU  47  20.547 -11.635  21.447
  312   2HB   LEU  47          2HB       LEU  47  20.392 -10.508  22.786
  313    HG   LEU  47           HG       LEU  47  18.382 -12.552  23.070
  314   1HD1  LEU  47          1HD1      LEU  47  19.936 -13.903  21.652
  315   2HD1  LEU  47          2HD1      LEU  47  21.230 -13.577  22.801
  316   3HD1  LEU  47          3HD1      LEU  47  19.830 -14.522  23.298
  317   1HD2  LEU  47          1HD2      LEU  47  20.920 -11.883  24.606
  318   2HD2  LEU  47          2HD2      LEU  47  19.321 -11.199  24.898
  319   3HD2  LEU  47          3HD2      LEU  47  19.619 -12.908  25.212
  320    NH1  ARG  48           NH1      ARG  48  21.226  -4.708  24.775
  321    NH2  ARG  48           NH2      ARG  48  19.512  -3.197  24.762
  322    H    ARG  48           H        ARG  48  20.987  -9.689  20.950
  323    HA   ARG  48           HA       ARG  48  19.683  -7.246  20.001
  324   1HB   ARG  48          1HB       ARG  48  21.971  -7.398  21.907
  325   2HB   ARG  48          2HB       ARG  48  21.616  -5.923  21.014
  326   1HG   ARG  48          1HG       ARG  48  19.292  -7.217  22.381
  327   2HG   ARG  48          2HG       ARG  48  20.483  -6.502  23.431
  328   1HD   ARG  48          1HD       ARG  48  19.480  -4.913  21.079
  329   2HD   ARG  48          2HD       ARG  48  18.431  -5.047  22.496
  330    HE   ARG  48           HE       ARG  48  20.795  -3.397  22.296
  331   1HH1  ARG  48          1HH1      ARG  48  21.858  -5.290  24.264
  332   2HH1  ARG  48          2HH1      ARG  48  21.275  -4.673  25.773
  333   1HH2  ARG  48          1HH2      ARG  48  18.860  -2.645  24.245
  334   2HH2  ARG  48          2HH2      ARG  48  19.537  -3.137  25.761
  335    CH2  TRP  49           CH2      TRP  49  17.331  -4.760  13.171
  336    H    TRP  49           H        TRP  49  19.831  -7.256  17.987
  337    HA   TRP  49           HA       TRP  49  22.508  -7.357  16.671
  338   1HB   TRP  49          1HB       TRP  49  21.206  -7.924  14.600
  339   2HB   TRP  49          2HB       TRP  49  20.769  -9.050  15.874
  340    HD1  TRP  49           HD1      TRP  49  18.203  -9.233  16.526
  341    HE1  TRP  49           HE1      TRP  49  16.207  -8.010  15.625
  342    HE3  TRP  49           HE3      TRP  49  20.490  -5.635  13.886
  343    HZ2  TRP  49           HZ2      TRP  49  15.588  -5.727  13.911
  344    HZ3  TRP  49           HZ3      TRP  49  19.232  -3.980  12.600
  345    HH2  TRP  49           HH2      TRP  49  16.774  -4.032  12.600
  346    CH2  TRP  50           CH2      TRP  50  14.958  -4.508  20.999
  347    H    TRP  50           H        TRP  50  19.367  -5.938  16.805
  348    HA   TRP  50           HA       TRP  50  19.700  -3.500  15.355
  349   1HB   TRP  50          1HB       TRP  50  17.598  -2.870  16.717
  350   2HB   TRP  50          2HB       TRP  50  17.480  -4.414  15.911
  351    HD1  TRP  50           HD1      TRP  50  19.570  -5.603  18.477
  352    HE1  TRP  50           HE1      TRP  50  18.090  -6.878  20.010
  353    HE3  TRP  50           HE3      TRP  50  15.730  -2.634  18.279
  354    HZ2  TRP  50           HZ2      TRP  50  15.828  -6.430  21.457
  355    HZ3  TRP  50           HZ3      TRP  50  14.279  -2.614  20.257
  356    HH2  TRP  50           HH2      TRP  50  14.371  -4.475  21.890
  357    H    GLU  51           H        GLU  51  18.352  -2.844  18.315
  358    HA   GLU  51           HA       GLU  51  19.101  -2.016  20.373
  359   1HB   GLU  51          1HB       GLU  51  21.298  -1.222  20.714
  360   2HB   GLU  51          2HB       GLU  51  21.542  -2.489  19.529
  361   1HG   GLU  51          1HG       GLU  51  22.715  -0.803  18.446
  362   2HG   GLU  51          2HG       GLU  51  21.118  -0.336  17.874
  363    H    LEU  52           H        LEU  52  18.473  -0.790  17.425
  364    HA   LEU  52           HA       LEU  52  18.428   2.052  18.087
  365   1HB   LEU  52          1HB       LEU  52  18.545   1.223  15.716
  366   2HB   LEU  52          2HB       LEU  52  16.978   0.457  15.902
  367    HG   LEU  52           HG       LEU  52  16.017   2.780  16.403
  368   1HD1  LEU  52          1HD1      LEU  52  18.846   3.513  15.650
  369   2HD1  LEU  52          2HD1      LEU  52  17.515   4.624  15.353
  370   3HD1  LEU  52          3HD1      LEU  52  17.879   4.106  16.995
  371   1HD2  LEU  52          1HD2      LEU  52  15.813   1.667  14.197
  372   2HD2  LEU  52          2HD2      LEU  52  15.947   3.415  14.043
  373   3HD2  LEU  52          3HD2      LEU  52  17.341   2.393  13.709
  374    NH1  ARG  53           NH2      ARG  53  12.192  -1.610  22.916
  375    NH2  ARG  53           NH1      ARG  53  11.577  -1.118  25.059
  376    H    ARG  53           H        ARG  53  17.319   1.705  20.184
  377    HA   ARG  53           HA       ARG  53  14.485   0.933  20.016
  378   1HB   ARG  53          1HB       ARG  53  16.401   0.869  22.052
  379   2HB   ARG  53          2HB       ARG  53  15.390   2.235  22.513
  380   1HG   ARG  53          1HG       ARG  53  13.376   0.685  22.053
  381   2HG   ARG  53          2HG       ARG  53  14.543  -0.634  22.052
  382   1HD   ARG  53          1HD       ARG  53  15.328   0.436  24.331
  383   2HD   ARG  53          2HD       ARG  53  13.726   1.175  24.318
  384    HE   ARG  53           HE       ARG  53  14.265  -1.564  24.945
  385   1HH1  ARG  53          1HH2      ARG  53  12.911  -1.683  22.226
  386   2HH1  ARG  53          2HH2      ARG  53  11.247  -1.844  22.680
  387   1HH2  ARG  53          1HH1      ARG  53  11.837  -0.822  25.979
  388   2HH2  ARG  53          2HH1      ARG  53  10.621  -1.321  24.851
   
  Start of MODEL           3
 Raw file had 388 H/Q atoms
  Start of MODEL    3
    1   1H    ASN   1          2H        ASN   1  -5.683  -1.269   2.783
    2   2H    ASN   1          3H        ASN   1  -6.183  -0.009   3.808
    3   3H    ASN   1          1H        ASN   1  -6.679  -0.031   2.183
    4    HA   ASN   1           HA       ASN   1  -4.532   0.431   1.393
    5   1HB   ASN   1          1HB       ASN   1  -4.959   2.095   3.923
    6   2HB   ASN   1          2HB       ASN   1  -4.047   2.585   2.499
    7   1HD2  ASN   1          2HD2      ASN   1  -8.113   2.222   1.956
    8   2HD2  ASN   1          1HD2      ASN   1  -7.301   1.061   2.890
    9    H    SER   2           H        SER   2  -2.522  -0.297   1.479
   10    HA   SER   2           HA       SER   2  -1.445  -1.890   3.499
   11   1HB   SER   2          1HB       SER   2   0.753  -0.419   2.406
   12   2HB   SER   2          2HB       SER   2   0.130  -1.971   1.813
   13    HG   SER   2           HG       SER   2  -1.508  -0.721   0.715
   14    OH   TYR   3           OH       TYR   3  -0.207   7.905   2.552
   15    H    TYR   3           H        TYR   3  -1.939   1.486   3.552
   16    HA   TYR   3           HA       TYR   3   0.061   2.555   5.107
   17   1HB   TYR   3          1HB       TYR   3  -2.885   2.947   4.907
   18   2HB   TYR   3          2HB       TYR   3  -2.180   3.550   6.400
   19    HD1  TYR   3           HD1      TYR   3  -0.911   3.447   2.874
   20    HD2  TYR   3           HD2      TYR   3  -1.890   5.873   6.228
   21    HE1  TYR   3           HE1      TYR   3  -0.178   5.439   1.650
   22    HE2  TYR   3           HE2      TYR   3  -1.161   7.865   5.001
   23    HH   TYR   3           HH       TYR   3  -0.982   8.307   2.151
   24    HA   PRO   4           HA       PRO   4   0.331   0.429   8.935
   25   1HB   PRO   4          1HB       PRO   4   0.069   2.746  10.663
   26   2HB   PRO   4          2HB       PRO   4   1.549   1.890  10.225
   27   1HG   PRO   4          1HG       PRO   4   0.629   4.476   9.275
   28   2HG   PRO   4          2HG       PRO   4   2.155   3.664   8.918
   29   1HD   PRO   4          2HD       PRO   4  -0.040   4.045   7.135
   30   2HD   PRO   4          1HD       PRO   4   1.418   3.077   6.847
   31    H    GLY   5           H        GLY   5  -1.165  -0.622  10.128
   32   1HA   GLY   5          1HA       GLY   5  -3.579   0.809  11.067
   33   2HA   GLY   5          2HA       GLY   5  -3.830  -0.528   9.947
   34    H    CYS   6           H        CYS   6  -4.341  -0.033  12.996
   35    HA   CYS   6           HA       CYS   6  -4.013  -2.774  13.699
   36   1HB   CYS   6          1HB       CYS   6  -2.292  -2.194  15.580
   37   2HB   CYS   6          2HB       CYS   6  -1.758  -2.548  13.960
   38    HA   PRO   7           HA       PRO   7  -7.094  -1.038  16.555
   39   1HB   PRO   7          1HB       PRO   7  -7.071  -3.550  18.030
   40   2HB   PRO   7          2HB       PRO   7  -8.345  -2.923  16.983
   41   1HG   PRO   7          1HG       PRO   7  -6.379  -5.021  16.394
   42   2HG   PRO   7          2HG       PRO   7  -7.779  -4.533  15.439
   43   1HD   PRO   7          2HD       PRO   7  -5.115  -4.114  14.836
   44   2HD   PRO   7          1HD       PRO   7  -6.460  -3.295  14.048
   45    H    SER   8           H        SER   8  -7.316  -1.323  19.106
   46    HA   SER   8           HA       SER   8  -4.689  -0.454  20.067
   47   1HB   SER   8          1HB       SER   8  -6.606   0.950  20.695
   48   2HB   SER   8          2HB       SER   8  -7.445  -0.451  21.388
   49    HG   SER   8           HG       SER   8  -5.693  -0.692  22.829
   50    H    SER   9           H        SER   9  -7.195  -2.355  21.718
   51    HA   SER   9           HA       SER   9  -5.749  -3.647  23.630
   52   1HB   SER   9          1HB       SER   9  -7.309  -5.612  23.329
   53   2HB   SER   9          2HB       SER   9  -8.185  -4.077  23.182
   54    HG   SER   9           HG       SER   9  -8.386  -5.752  21.418
   55    OH   TYR  10           OH       TYR  10  -1.234  -6.256  14.377
   56    H    TYR  10           H        TYR  10  -5.572  -4.364  20.199
   57    HA   TYR  10           HA       TYR  10  -3.769  -6.658  20.738
   58   1HB   TYR  10          1HB       TYR  10  -5.086  -7.324  18.969
   59   2HB   TYR  10          2HB       TYR  10  -5.579  -5.678  18.601
   60    HD1  TYR  10           HD2      TYR  10  -3.061  -8.238  18.006
   61    HD2  TYR  10           HD1      TYR  10  -4.349  -4.329  17.040
   62    HE1  TYR  10           HE2      TYR  10  -1.504  -8.225  16.115
   63    HE2  TYR  10           HE1      TYR  10  -2.965  -4.374  15.037
   64    HH   TYR  10           HH       TYR  10  -0.800  -5.401  14.360
   65    H    ASP  11           H        ASP  11  -2.964  -4.042  21.503
   66    HA   ASP  11           HA       ASP  11  -0.977  -3.218  19.471
   67   1HB   ASP  11          1HB       ASP  11  -2.060  -1.360  20.558
   68   2HB   ASP  11          2HB       ASP  11  -1.888  -2.092  22.151
   69    H    GLY  12           H        GLY  12  -0.986  -4.130  22.928
   70   1HA   GLY  12          1HA       GLY  12   1.811  -4.311  23.260
   71   2HA   GLY  12          2HA       GLY  12   0.656  -5.293  24.164
   72    OH   TYR  13           OH       TYR  13  -1.238 -12.339  16.620
   73    H    TYR  13           H        TYR  13  -0.328  -6.175  21.425
   74    HA   TYR  13           HA       TYR  13   0.376  -8.711  21.132
   75   1HB   TYR  13          1HB       TYR  13  -0.844  -7.033  19.511
   76   2HB   TYR  13          2HB       TYR  13   0.712  -6.942  18.694
   77    HD1  TYR  13           HD2      TYR  13  -1.881  -9.257  19.899
   78    HD2  TYR  13           HD1      TYR  13   1.347  -8.680  17.193
   79    HE1  TYR  13           HE2      TYR  13  -2.466 -11.352  18.733
   80    HE2  TYR  13           HE1      TYR  13   0.753 -10.702  16.003
   81    HH   TYR  13           HH       TYR  13  -1.546 -12.092  15.744
   82    H    CYS  14           H        CYS  14   2.370  -6.300  19.430
   83    HA   CYS  14           HA       CYS  14   4.521  -8.241  19.105
   84   1HB   CYS  14          1HB       CYS  14   5.281  -5.470  18.674
   85   2HB   CYS  14          2HB       CYS  14   5.191  -6.771  17.517
   86    H    LEU  15           H        LEU  15   6.655  -7.987  19.862
   87    HA   LEU  15           HA       LEU  15   6.921  -6.429  22.407
   88   1HB   LEU  15          1HB       LEU  15   8.460  -8.986  21.930
   89   2HB   LEU  15          2HB       LEU  15   7.908  -8.299  23.452
   90    HG   LEU  15           HG       LEU  15   5.505  -8.745  22.523
   91   1HD1  LEU  15          1HD1      LEU  15   7.005  -9.696  20.332
   92   2HD1  LEU  15          2HD1      LEU  15   6.453 -11.142  21.166
   93   3HD1  LEU  15          3HD1      LEU  15   5.287  -9.947  20.616
   94   1HD2  LEU  15          3HD2      LEU  15   7.376 -10.961  23.411
   95   2HD2  LEU  15          1HD2      LEU  15   6.440  -9.898  24.457
   96   3HD2  LEU  15          2HD2      LEU  15   5.618 -11.072  23.434
   97    H    ASN  16           H        ASN  16   7.675  -6.332  19.434
   98    HA   ASN  16           HA       ASN  16  10.519  -5.493  19.835
   99   1HB   ASN  16          1HB       ASN  16  10.094  -6.274  17.118
  100   2HB   ASN  16          2HB       ASN  16  11.025  -7.142  18.324
  101   1HD2  ASN  16          2HD2      ASN  16   8.490  -9.534  19.033
  102   2HD2  ASN  16          1HD2      ASN  16   9.900  -8.793  19.632
  103    H    GLY  17           H        GLY  17  10.887  -4.348  17.294
  104   1HA   GLY  17          1HA       GLY  17   9.692  -1.817  17.499
  105   2HA   GLY  17          2HA       GLY  17  10.174  -2.509  15.938
  106    H    GLY  18           H        GLY  18   8.683  -4.392  15.309
  107   1HA   GLY  18          1HA       GLY  18   6.585  -5.182  14.736
  108   2HA   GLY  18          2HA       GLY  18   5.948  -4.397  16.170
  109    H    VAL  19           H        VAL  19   6.648  -4.067  12.813
  110    HA   VAL  19           HA       VAL  19   5.496  -1.436  12.698
  111    HB   VAL  19           HB       VAL  19   6.242  -3.343  10.464
  112   1HG1  VAL  19          3HG1      VAL  19   4.879  -0.865  10.507
  113   2HG1  VAL  19          1HG1      VAL  19   6.492  -0.532   9.875
  114   3HG1  VAL  19          2HG1      VAL  19   5.470  -1.731   9.089
  115   1HG2  VAL  19          2HG2      VAL  19   8.123  -2.767  12.084
  116   2HG2  VAL  19          3HG2      VAL  19   8.404  -2.243  10.420
  117   3HG2  VAL  19          1HG2      VAL  19   7.887  -1.079  11.636
  118    H    CYS  20           H        CYS  20   3.499  -1.673  13.398
  119    HA   CYS  20           HA       CYS  20   1.642  -3.722  12.911
  120   1HB   CYS  20          1HB       CYS  20   0.490  -2.475  14.299
  121   2HB   CYS  20          2HB       CYS  20   1.806  -1.346  14.264
  122    H    MET  21           H        MET  21   0.228  -4.227  11.446
  123    HA   MET  21           HA       MET  21  -0.473  -2.347   9.262
  124   1HB   MET  21          1HB       MET  21   0.255  -5.169   8.497
  125   2HB   MET  21          2HB       MET  21   0.335  -3.712   7.513
  126   1HG   MET  21          1HG       MET  21   2.256  -2.967   8.999
  127   2HG   MET  21          2HG       MET  21   2.231  -4.574   9.688
  128   1HE   MET  21          1HE       MET  21   2.019  -6.594   8.076
  129   2HE   MET  21          2HE       MET  21   3.351  -6.889   6.963
  130   3HE   MET  21          3HE       MET  21   3.676  -6.606   8.672
  131    H    HIS  22           H        HIS  22  -2.102  -3.324   7.820
  132    HA   HIS  22           HA       HIS  22  -3.845  -5.287   9.246
  133   1HB   HIS  22          1HB       HIS  22  -4.757  -2.994   9.516
  134   2HB   HIS  22          2HB       HIS  22  -4.654  -2.728   7.780
  135    HD1  HIS  22           HD1      HIS  22  -6.032  -5.736   9.496
  136    HD2  HIS  22           HD2      HIS  22  -7.299  -2.769   7.021
  137    HE1  HIS  22           HE1      HIS  22  -8.315  -6.336   8.877
  138    H    ILE  23           H        ILE  23  -1.964  -4.914   6.711
  139    HA   ILE  23           HA       ILE  23  -1.882  -5.755   4.537
  140    HB   ILE  23           HB       ILE  23  -3.896  -7.682   5.801
  141   1HG1  ILE  23          1HG1      ILE  23  -1.786  -9.135   5.925
  142   2HG1  ILE  23          2HG1      ILE  23  -0.869  -7.688   5.536
  143   1HG2  ILE  23          3HG2      ILE  23  -2.216  -7.817   3.253
  144   2HG2  ILE  23          1HG2      ILE  23  -2.997  -9.228   3.956
  145   3HG2  ILE  23          2HG2      ILE  23  -3.970  -7.894   3.357
  146   1HD1  ILE  23          1HD1      ILE  23  -2.830  -7.532   7.807
  147   2HD1  ILE  23          2HD1      ILE  23  -1.321  -8.394   8.065
  148   3HD1  ILE  23          3HD1      ILE  23  -1.292  -6.702   7.595
  149    H    GLU  24           H        GLU  24  -5.220  -6.776   4.986
  150    HA   GLU  24           HA       GLU  24  -6.163  -4.528   3.316
  151   1HB   GLU  24          1HB       GLU  24  -5.371  -6.452   1.811
  152   2HB   GLU  24          2HB       GLU  24  -6.657  -7.429   2.512
  153   1HG   GLU  24          1HG       GLU  24  -8.077  -6.532   0.998
  154   2HG   GLU  24          2HG       GLU  24  -7.864  -4.972   1.785
  155    H    SER  25           H        SER  25  -8.342  -6.828   2.805
  156    HA   SER  25           HA       SER  25 -10.117  -5.824   4.907
  157   1HB   SER  25          1HB       SER  25 -11.089  -6.137   2.686
  158   2HB   SER  25          2HB       SER  25 -10.487  -7.803   2.601
  159    HG   SER  25           HG       SER  25 -12.351  -6.733   4.458
  160    H    LEU  26           H        LEU  26  -8.189  -8.620   4.339
  161    HA   LEU  26           HA       LEU  26  -9.636 -10.435   6.041
  162   1HB   LEU  26          1HB       LEU  26  -6.677 -10.370   5.302
  163   2HB   LEU  26          2HB       LEU  26  -7.525 -11.756   5.975
  164    HG   LEU  26           HG       LEU  26  -8.262 -10.387   3.365
  165   1HD1  LEU  26          2HD1      LEU  26  -6.050 -11.551   3.290
  166   2HD1  LEU  26          3HD1      LEU  26  -6.841 -13.030   3.825
  167   3HD1  LEU  26          1HD1      LEU  26  -7.254 -12.327   2.266
  168   1HD2  LEU  26          3HD2      LEU  26  -9.396 -12.650   4.966
  169   2HD2  LEU  26          1HD2      LEU  26 -10.221 -11.453   3.975
  170   3HD2  LEU  26          2HD2      LEU  26  -9.396 -12.808   3.215
  171    H    ASP  27           H        ASP  27  -8.410 -11.422   7.965
  172    HA   ASP  27           HA       ASP  27  -8.127  -9.284   9.943
  173   1HB   ASP  27          1HB       ASP  27  -9.292 -11.258  10.685
  174   2HB   ASP  27          2HB       ASP  27  -8.089 -12.330   9.984
  175    H    SER  28           H        SER  28  -6.114 -12.091  10.176
  176    HA   SER  28           HA       SER  28  -3.821 -12.164  10.722
  177   1HB   SER  28          1HB       SER  28  -4.218 -12.185   8.083
  178   2HB   SER  28          2HB       SER  28  -3.375 -10.626   8.161
  179    HG   SER  28           HG       SER  28  -2.510 -13.139   9.155
  180    OH   TYR  29           OH       TYR  29  -8.758  -4.376  11.002
  181    H    TYR  29           H        TYR  29  -5.135  -9.513  11.595
  182    HA   TYR  29           HA       TYR  29  -3.468  -7.303  11.143
  183   1HB   TYR  29          1HB       TYR  29  -4.889  -8.326  13.632
  184   2HB   TYR  29          2HB       TYR  29  -3.887  -6.889  13.735
  185    HD1  TYR  29           HD2      TYR  29  -4.392  -4.955  12.091
  186    HD2  TYR  29           HD1      TYR  29  -7.100  -8.132  12.875
  187    HE1  TYR  29           HE2      TYR  29  -6.244  -3.616  11.184
  188    HE2  TYR  29           HE1      TYR  29  -8.942  -6.802  11.978
  189    HH   TYR  29           HH       TYR  29  -8.579  -3.453  11.191
  190    H    THR  30           H        THR  30  -1.254  -6.963  11.481
  191    HA   THR  30           HA       THR  30   0.012  -8.413  13.764
  192    HB   THR  30           HB       THR  30   0.037 -10.120  11.915
  193    HG1  THR  30           HG1      THR  30   1.944  -9.339  13.355
  194   1HG2  THR  30          2HG2      THR  30   0.367  -7.943  10.194
  195   2HG2  THR  30          3HG2      THR  30   2.024  -8.512  10.352
  196   3HG2  THR  30          1HG2      THR  30   0.774  -9.597   9.751
  197    H    CYS  31           H        CYS  31   2.508  -8.180  13.470
  198    HA   CYS  31           HA       CYS  31   3.100  -5.338  12.730
  199   1HB   CYS  31          1HB       CYS  31   4.817  -6.667  14.735
  200   2HB   CYS  31          2HB       CYS  31   4.133  -5.068  14.754
  201    H    ASN  32           H        ASN  32   4.237  -5.540  10.816
  202    HA   ASN  32           HA       ASN  32   5.708  -7.704   9.886
  203   1HB   ASN  32          1HB       ASN  32   5.426  -5.017   9.126
  204   2HB   ASN  32          2HB       ASN  32   7.157  -5.170   9.423
  205   1HD2  ASN  32          2HD2      ASN  32   7.345  -6.346   6.100
  206   2HD2  ASN  32          1HD2      ASN  32   7.711  -5.080   7.170
  207    H    CYS  33           H        CYS  33   7.455  -8.763  10.541
  208    HA   CYS  33           HA       CYS  33   8.778  -7.929  12.950
  209   1HB   CYS  33          1HB       CYS  33   8.788 -10.247  11.138
  210   2HB   CYS  33          2HB       CYS  33  10.298 -10.006  11.970
  211    H    VAL  34           H        VAL  34  11.478  -8.789  12.545
  212    HA   VAL  34           HA       VAL  34  12.433  -6.801  10.551
  213    HB   VAL  34           HB       VAL  34  13.999  -6.361  12.892
  214   1HG1  VAL  34          3HG1      VAL  34  11.866  -4.667  11.557
  215   2HG1  VAL  34          1HG1      VAL  34  13.120  -4.064  12.639
  216   3HG1  VAL  34          2HG1      VAL  34  13.558  -4.748  11.077
  217   1HG2  VAL  34          2HG2      VAL  34  12.018  -7.303  14.130
  218   2HG2  VAL  34          3HG2      VAL  34  12.361  -5.622  14.520
  219   3HG2  VAL  34          1HG2      VAL  34  11.038  -6.018  13.431
  220    H    ILE  35           H        ILE  35  14.945  -6.570  11.193
  221    HA   ILE  35           HA       ILE  35  16.031  -9.101  10.264
  222    HB   ILE  35           HB       ILE  35  17.081  -6.289  10.771
  223   1HG1  ILE  35          1HG1      ILE  35  15.825  -6.521   8.706
  224   2HG1  ILE  35          2HG1      ILE  35  17.523  -6.304   8.326
  225   1HG2  ILE  35          1HG2      ILE  35  18.537  -8.865  10.386
  226   2HG2  ILE  35          2HG2      ILE  35  19.156  -7.473   9.503
  227   3HG2  ILE  35          3HG2      ILE  35  19.020  -7.418  11.256
  228   1HD1  ILE  35          3HD1      ILE  35  17.427  -9.021   8.395
  229   2HD1  ILE  35          1HD1      ILE  35  15.773  -8.675   7.914
  230   3HD1  ILE  35          2HD1      ILE  35  17.115  -8.089   6.940
  231    H    GLY  36           H        GLY  36  16.097 -10.494  11.894
  232   1HA   GLY  36          1HA       GLY  36  17.969 -11.002  13.650
  233   2HA   GLY  36          2HA       GLY  36  17.282  -9.599  14.450
  234    OH   TYR  37           OH       TYR  37  13.832  -5.961  17.487
  235    H    TYR  37           H        TYR  37  14.593 -10.401  13.456
  236    HA   TYR  37           HA       TYR  37  14.238 -12.863  14.929
  237   1HB   TYR  37          1HB       TYR  37  12.675 -11.885  16.529
  238   2HB   TYR  37          2HB       TYR  37  14.413 -11.652  16.707
  239    HD1  TYR  37           HD2      TYR  37  13.988  -9.187  14.349
  240    HD2  TYR  37           HD1      TYR  37  12.524 -10.203  18.153
  241    HE1  TYR  37           HE2      TYR  37  14.377  -6.934  15.047
  242    HE2  TYR  37           HE1      TYR  37  13.021  -8.040  18.991
  243    HH   TYR  37           HH       TYR  37  13.340  -5.849  18.305
  244    H    SER  38           H        SER  38  12.335 -13.860  14.958
  245    HA   SER  38           HA       SER  38  10.140 -12.787  13.315
  246   1HB   SER  38          1HB       SER  38  11.801 -15.178  12.386
  247   2HB   SER  38          2HB       SER  38  10.259 -14.694  11.655
  248    HG   SER  38           HG       SER  38  11.266 -13.132  10.696
  249    H    GLY  39           H        GLY  39   8.840 -15.116  12.657
  250   1HA   GLY  39          1HA       GLY  39   7.801 -17.086  13.610
  251   2HA   GLY  39          2HA       GLY  39   8.483 -16.648  15.183
  252    H    ASP  40           H        ASP  40   5.871 -16.137  12.943
  253    HA   ASP  40           HA       ASP  40   3.806 -15.075  13.161
  254   1HB   ASP  40          1HB       ASP  40   4.436 -15.116  16.170
  255   2HB   ASP  40          2HB       ASP  40   2.854 -14.911  15.433
  256    NH1  ARG  41           NH1      ARG  41   1.803 -14.587  17.521
  257    NH2  ARG  41           NH2      ARG  41   2.865 -14.998  19.504
  258    H    ARG  41           H        ARG  41   5.587 -13.570  15.873
  259    HA   ARG  41           HA       ARG  41   5.951 -11.192  14.205
  260   1HB   ARG  41          1HB       ARG  41   4.910  -9.658  15.883
  261   2HB   ARG  41          2HB       ARG  41   3.738 -10.744  15.167
  262   1HG   ARG  41          1HG       ARG  41   5.076 -11.478  17.766
  263   2HG   ARG  41          2HG       ARG  41   3.722 -10.352  17.743
  264   1HD   ARG  41          1HD       ARG  41   2.211 -11.951  17.313
  265   2HD   ARG  41          2HD       ARG  41   3.246 -12.768  16.148
  266    HE   ARG  41           HE       ARG  41   4.403 -13.264  18.652
  267   1HH1  ARG  41          1HH1      ARG  41   1.731 -14.043  16.684
  268   2HH1  ARG  41          2HH1      ARG  41   1.163 -15.337  17.685
  269   1HH2  ARG  41          1HH2      ARG  41   3.588 -14.761  20.153
  270   2HH2  ARG  41          2HH2      ARG  41   2.244 -15.755  19.702
  271    H    CYS  42           H        CYS  42   7.994 -12.622  14.799
  272    HA   CYS  42           HA       CYS  42  10.139 -12.588  15.794
  273   1HB   CYS  42          1HB       CYS  42   9.925 -10.066  17.127
  274   2HB   CYS  42          2HB       CYS  42  10.965 -10.571  15.816
  275    H    GLN  43           H        GLN  43   7.551 -13.260  17.373
  276    HA   GLN  43           HA       GLN  43   7.927 -12.624  20.089
  277   1HB   GLN  43          1HB       GLN  43   6.015 -14.010  19.742
  278   2HB   GLN  43          2HB       GLN  43   6.859 -15.043  18.598
  279   1HG   GLN  43          1HG       GLN  43   8.006 -16.219  20.349
  280   2HG   GLN  43          2HG       GLN  43   7.549 -15.012  21.551
  281   1HE2  GLN  43          2HE2      GLN  43   4.911 -17.934  20.448
  282   2HE2  GLN  43          1HE2      GLN  43   6.360 -17.710  19.592
  283    H    THR  44           H        THR  44   9.648 -14.518  17.855
  284    HA   THR  44           HA       THR  44  11.452 -15.653  19.910
  285    HB   THR  44           HB       THR  44  11.841 -16.097  16.924
  286    HG1  THR  44           HG1      THR  44   9.517 -16.339  18.259
  287   1HG2  THR  44          1HG2      THR  44  13.042 -17.317  18.960
  288   2HG2  THR  44          2HG2      THR  44  11.502 -18.144  19.159
  289   3HG2  THR  44          3HG2      THR  44  12.408 -18.323  17.661
  290    NH1  ARG  45           NH1      ARG  45  13.751 -10.564  24.370
  291    NH2  ARG  45           NH2      ARG  45  12.856  -8.460  24.346
  292    H    ARG  45           H        ARG  45  12.313 -13.635  20.500
  293    HA   ARG  45           HA       ARG  45  13.768 -12.057  18.485
  294   1HB   ARG  45          1HB       ARG  45  14.137 -11.599  21.440
  295   2HB   ARG  45          2HB       ARG  45  14.007 -10.409  20.157
  296   1HG   ARG  45          1HG       ARG  45  11.565 -10.989  19.969
  297   2HG   ARG  45          2HG       ARG  45  11.740 -12.007  21.385
  298   1HD   ARG  45          1HD       ARG  45  11.643  -9.060  21.139
  299   2HD   ARG  45          2HD       ARG  45  11.192 -10.081  22.503
  300    HE   ARG  45           HE       ARG  45  14.036  -9.382  21.893
  301   1HH1  ARG  45          1HH1      ARG  45  14.063 -11.368  23.861
  302   2HH1  ARG  45          2HH1      ARG  45  13.793 -10.556  25.367
  303   1HH2  ARG  45          1HH2      ARG  45  12.497  -7.690  23.820
  304   2HH2  ARG  45          2HH2      ARG  45  12.884  -8.416  25.346
  305    H    ASP  46           H        ASP  46  15.926 -12.169  18.121
  306    HA   ASP  46           HA       ASP  46  17.228 -14.395  19.407
  307   1HB   ASP  46          1HB       ASP  46  17.769 -12.682  17.117
  308   2HB   ASP  46          2HB       ASP  46  19.237 -12.880  18.070
  309    H    LEU  47           H        LEU  47  16.375 -12.677  21.234
  310    HA   LEU  47           HA       LEU  47  16.860 -11.471  23.121
  311   1HB   LEU  47          1HB       LEU  47  19.211 -13.328  22.699
  312   2HB   LEU  47          2HB       LEU  47  19.213 -12.223  24.069
  313    HG   LEU  47           HG       LEU  47  16.736 -13.825  23.560
  314   1HD1  LEU  47          2HD1      LEU  47  19.281 -14.887  24.828
  315   2HD1  LEU  47          3HD1      LEU  47  17.712 -15.680  24.919
  316   3HD1  LEU  47          1HD1      LEU  47  18.515 -15.492  23.363
  317   1HD2  LEU  47          2HD2      LEU  47  17.260 -11.994  25.388
  318   2HD2  LEU  47          3HD2      LEU  47  16.373 -13.448  25.837
  319   3HD2  LEU  47          1HD2      LEU  47  18.093 -13.322  26.194
  320    NH1  ARG  48           NH2      ARG  48  14.619  -6.596  26.110
  321    NH2  ARG  48           NH1      ARG  48  14.648  -7.714  28.103
  322    H    ARG  48           H        ARG  48  16.975  -9.575  23.074
  323    HA   ARG  48           HA       ARG  48  17.557  -7.415  22.464
  324   1HB   ARG  48          1HB       ARG  48  19.266  -8.613  24.575
  325   2HB   ARG  48          2HB       ARG  48  19.724  -7.006  24.034
  326   1HG   ARG  48          1HG       ARG  48  18.153  -6.805  25.905
  327   2HG   ARG  48          2HG       ARG  48  17.380  -6.223  24.439
  328   1HD   ARG  48          1HD       ARG  48  15.805  -7.860  24.490
  329   2HD   ARG  48          2HD       ARG  48  16.997  -9.104  24.868
  330    HE   ARG  48           HE       ARG  48  16.763  -8.596  27.224
  331   1HH1  ARG  48          1HH2      ARG  48  15.034  -6.427  25.215
  332   2HH1  ARG  48          2HH2      ARG  48  13.793  -6.099  26.378
  333   1HH2  ARG  48          1HH1      ARG  48  15.084  -8.384  28.705
  334   2HH2  ARG  48          2HH1      ARG  48  13.827  -7.231  28.406
  335    CH2  TRP  49           CH2      TRP  49  20.621  -7.482  13.849
  336    H    TRP  49           H        TRP  49  19.315  -9.432  20.651
  337    HA   TRP  49           HA       TRP  49  21.792  -8.071  20.390
  338   1HB   TRP  49          1HB       TRP  49  22.108  -9.266  18.378
  339   2HB   TRP  49          2HB       TRP  49  20.959 -10.276  19.222
  340    HD1  TRP  49           HD1      TRP  49  18.541 -10.702  17.954
  341    HE1  TRP  49           HE1      TRP  49  18.325 -10.630  15.467
  342    HE3  TRP  49           HE3      TRP  49  21.706  -7.025  16.981
  343    HZ2  TRP  49           HZ2      TRP  49  19.243  -8.986  13.243
  344    HZ3  TRP  49           HZ3      TRP  49  22.010  -6.123  14.726
  345    HH2  TRP  49           HH2      TRP  49  20.716  -7.059  12.860
  346    CH2  TRP  50           CH2      TRP  50  14.349  -5.656  21.680
  347    H    TRP  50           H        TRP  50  19.109  -7.703  18.193
  348    HA   TRP  50           HA       TRP  50  19.628  -5.409  16.855
  349   1HB   TRP  50          1HB       TRP  50  17.055  -5.065  17.187
  350   2HB   TRP  50          2HB       TRP  50  17.587  -6.635  16.576
  351    HD1  TRP  50           HD1      TRP  50  18.026  -8.544  18.747
  352    HE1  TRP  50           HE1      TRP  50  16.489  -9.004  20.594
  353    HE3  TRP  50           HE3      TRP  50  15.665  -4.134  18.948
  354    HZ2  TRP  50           HZ2      TRP  50  14.751  -7.689  22.256
  355    HZ3  TRP  50           HZ3      TRP  50  14.169  -3.682  20.862
  356    HH2  TRP  50           HH2      TRP  50  13.709  -5.459  22.528
  357    H    GLU  51           H        GLU  51  18.761  -5.833  20.120
  358    HA   GLU  51           HA       GLU  51  18.369  -3.000  20.725
  359   1HB   GLU  51          1HB       GLU  51  17.460  -5.453  21.574
  360   2HB   GLU  51          2HB       GLU  51  18.617  -5.060  22.848
  361   1HG   GLU  51          1HG       GLU  51  16.450  -3.123  21.951
  362   2HG   GLU  51          2HG       GLU  51  16.237  -4.246  23.286
  363    H    LEU  52           H        LEU  52  19.591  -1.901  22.365
  364    HA   LEU  52           HA       LEU  52  22.300  -3.016  22.908
  365   1HB   LEU  52          1HB       LEU  52  21.920  -1.129  20.966
  366   2HB   LEU  52          2HB       LEU  52  22.043  -0.068  22.362
  367    HG   LEU  52           HG       LEU  52  24.177  -1.780  22.775
  368   1HD1  LEU  52          1HD1      LEU  52  23.705  -2.752  20.481
  369   2HD1  LEU  52          2HD1      LEU  52  24.045  -1.160  19.806
  370   3HD1  LEU  52          3HD1      LEU  52  25.313  -2.049  20.647
  371   1HD2  LEU  52          3HD2      LEU  52  23.942   0.886  21.373
  372   2HD2  LEU  52          1HD2      LEU  52  24.413   0.573  23.042
  373   3HD2  LEU  52          2HD2      LEU  52  25.504   0.153  21.726
  374    NH1  ARG  53           NH2      ARG  53  20.227   5.278  26.130
  375    NH2  ARG  53           NH1      ARG  53  18.058   5.991  26.228
  376    H    ARG  53           H        ARG  53  19.520  -1.547  24.028
  377    HA   ARG  53           HA       ARG  53  20.898  -0.375  26.403
  378   1HB   ARG  53          1HB       ARG  53  18.471   0.257  24.872
  379   2HB   ARG  53          2HB       ARG  53  18.123   0.119  26.591
  380   1HG   ARG  53          1HG       ARG  53  19.776   1.777  27.150
  381   2HG   ARG  53          2HG       ARG  53  20.449   1.748  25.525
  382   1HD   ARG  53          1HD       ARG  53  18.859   3.167  24.722
  383   2HD   ARG  53          2HD       ARG  53  17.563   2.363  25.606
  384    HE   ARG  53           HE       ARG  53  18.326   3.667  27.627
  385   1HH1  ARG  53          1HH2      ARG  53  20.891   4.536  26.233
  386   2HH1  ARG  53          2HH2      ARG  53  20.535   6.190  25.861
  387   1HH2  ARG  53          1HH1      ARG  53  17.096   5.785  26.405
  388   2HH2  ARG  53          2HH1      ARG  53  18.329   6.915  25.959
   
  Start of MODEL           4
 Raw file had 388 H/Q atoms
  Start of MODEL    4
    1   1H    ASN   1          1H        ASN   1  -2.109  -3.143  -0.361
    2   2H    ASN   1          2H        ASN   1  -2.373  -4.521  -1.316
    3   3H    ASN   1          3H        ASN   1  -3.290  -3.117  -1.581
    4    HA   ASN   1           HA       ASN   1  -4.626  -3.436   0.196
    5   1HB   ASN   1          1HB       ASN   1  -3.719  -6.321  -0.119
    6   2HB   ASN   1          2HB       ASN   1  -5.350  -5.726   0.173
    7   1HD2  ASN   1          2HD2      ASN   1  -5.681  -4.557  -3.280
    8   2HD2  ASN   1          1HD2      ASN   1  -5.936  -3.959  -1.711
    9    H    SER   2           H        SER   2  -1.696  -3.167   0.942
   10    HA   SER   2           HA       SER   2  -1.958  -4.378   3.668
   11   1HB   SER   2          1HB       SER   2  -0.151  -5.364   2.008
   12   2HB   SER   2          2HB       SER   2   0.738  -3.873   2.368
   13    HG   SER   2           HG       SER   2   0.904  -4.441   4.424
   14    OH   TYR   3           OH       TYR   3  -2.525   3.373  -1.278
   15    H    TYR   3           H        TYR   3  -2.850  -1.809   3.038
   16    HA   TYR   3           HA       TYR   3  -0.914   0.223   3.521
   17   1HB   TYR   3          1HB       TYR   3  -3.897  -0.043   3.606
   18   2HB   TYR   3          2HB       TYR   3  -3.225   1.335   4.465
   19    HD1  TYR   3           HD1      TYR   3  -2.960  -0.415   1.162
   20    HD2  TYR   3           HD2      TYR   3  -2.762   3.288   3.244
   21    HE1  TYR   3           HE1      TYR   3  -2.770   0.776  -0.974
   22    HE2  TYR   3           HE2      TYR   3  -2.574   4.476   1.108
   23    HH   TYR   3           HH       TYR   3  -2.094   2.784  -1.903
   24    HA   PRO   4           HA       PRO   4  -0.172  -0.054   7.876
   25   1HB   PRO   4          1HB       PRO   4  -0.581   2.736   8.500
   26   2HB   PRO   4          2HB       PRO   4   0.961   1.927   8.220
   27   1HG   PRO   4          1HG       PRO   4  -0.463   3.767   6.461
   28   2HG   PRO   4          2HG       PRO   4   1.153   3.088   6.259
   29   1HD   PRO   4          2HD       PRO   4  -1.182   2.395   4.778
   30   2HD   PRO   4          1HD       PRO   4   0.397   1.593   4.725
   31    H    GLY   5           H        GLY   5  -1.392  -0.314   9.774
   32   1HA   GLY   5          1HA       GLY   5  -3.691   1.181  10.476
   33   2HA   GLY   5          2HA       GLY   5  -4.243  -0.176   9.510
   34    H    CYS   6           H        CYS   6  -4.718   0.441  12.349
   35    HA   CYS   6           HA       CYS   6  -4.501  -2.173  13.431
   36   1HB   CYS   6          1HB       CYS   6  -2.781  -1.519  15.231
   37   2HB   CYS   6          2HB       CYS   6  -2.175  -1.948  13.658
   38    HA   PRO   7           HA       PRO   7  -7.521   0.193  15.887
   39   1HB   PRO   7          1HB       PRO   7  -7.269  -2.140  17.735
   40   2HB   PRO   7          2HB       PRO   7  -8.733  -1.448  17.021
   41   1HG   PRO   7          1HG       PRO   7  -7.505  -3.818  16.191
   42   2HG   PRO   7          2HG       PRO   7  -8.627  -2.877  15.209
   43   1HD   PRO   7          2HD       PRO   7  -5.770  -3.241  14.838
   44   2HD   PRO   7          1HD       PRO   7  -6.919  -2.424  13.768
   45    H    SER   8           H        SER   8  -7.635   0.906  18.162
   46    HA   SER   8           HA       SER   8  -5.276   2.141  18.931
   47   1HB   SER   8          1HB       SER   8  -7.018   1.374  21.222
   48   2HB   SER   8          2HB       SER   8  -6.613   2.997  20.625
   49    HG   SER   8           HG       SER   8  -8.060   2.707  18.941
   50    H    SER   9           H        SER   9  -5.919  -1.142  19.105
   51    HA   SER   9           HA       SER   9  -4.168  -1.596  21.438
   52   1HB   SER   9          1HB       SER   9  -5.453  -3.649  19.569
   53   2HB   SER   9          2HB       SER   9  -4.866  -3.931  21.221
   54    HG   SER   9           HG       SER   9  -6.627  -1.815  20.827
   55    OH   TYR  10           OH       TYR  10  -5.127  -8.519  16.368
   56    H    TYR  10           H        TYR  10  -3.582  -4.209  19.771
   57    HA   TYR  10           HA       TYR  10  -1.508  -4.998  18.960
   58   1HB   TYR  10          1HB       TYR  10  -2.624  -2.956  17.025
   59   2HB   TYR  10          2HB       TYR  10  -1.142  -3.839  16.633
   60    HD1  TYR  10           HD2      TYR  10  -1.222  -6.367  17.034
   61    HD2  TYR  10           HD1      TYR  10  -4.701  -3.995  16.666
   62    HE1  TYR  10           HE2      TYR  10  -2.510  -8.409  16.790
   63    HE2  TYR  10           HE1      TYR  10  -6.053  -6.044  16.356
   64    HH   TYR  10           HH       TYR  10  -5.808  -8.528  17.044
   65    H    ASP  11           H        ASP  11  -0.921  -3.388  20.970
   66    HA   ASP  11           HA       ASP  11   1.509  -1.974  19.979
   67   1HB   ASP  11          1HB       ASP  11  -0.311  -0.369  20.781
   68   2HB   ASP  11          2HB       ASP  11  -0.208  -1.132  22.366
   69    H    GLY  12           H        GLY  12   0.296  -4.505  21.594
   70   1HA   GLY  12          1HA       GLY  12   2.815  -4.923  23.047
   71   2HA   GLY  12          2HA       GLY  12   1.378  -4.839  24.058
   72    OH   TYR  13           OH       TYR  13   1.508 -11.339  15.710
   73    H    TYR  13           H        TYR  13   0.400  -6.168  21.135
   74    HA   TYR  13           HA       TYR  13  -0.019  -8.726  22.336
   75   1HB   TYR  13          1HB       TYR  13  -1.348  -8.955  20.486
   76   2HB   TYR  13          2HB       TYR  13  -0.711  -7.456  19.836
   77    HD1  TYR  13           HD2      TYR  13   0.617 -11.048  20.139
   78    HD2  TYR  13           HD1      TYR  13   0.047  -7.609  17.734
   79    HE1  TYR  13           HE2      TYR  13   1.445 -12.256  18.163
   80    HE2  TYR  13           HE1      TYR  13   0.587  -8.871  15.767
   81    HH   TYR  13           HH       TYR  13   2.022 -12.091  16.006
   82    H    CYS  14           H        CYS  14   2.495  -7.507  20.200
   83    HA   CYS  14           HA       CYS  14   3.877 -10.101  20.241
   84   1HB   CYS  14          1HB       CYS  14   5.640  -8.253  19.192
   85   2HB   CYS  14          2HB       CYS  14   4.505  -9.191  18.260
   86    H    LEU  15           H        LEU  15   6.241 -10.084  20.766
   87    HA   LEU  15           HA       LEU  15   6.645  -8.752  23.404
   88   1HB   LEU  15          1HB       LEU  15   8.554 -10.792  22.244
   89   2HB   LEU  15          2HB       LEU  15   8.088 -10.560  23.921
   90    HG   LEU  15           HG       LEU  15   5.685 -11.301  22.838
   91   1HD1  LEU  15          1HD1      LEU  15   6.864 -11.698  20.620
   92   2HD1  LEU  15          2HD1      LEU  15   7.808 -12.948  21.417
   93   3HD1  LEU  15          3HD1      LEU  15   6.063 -13.122  21.267
   94   1HD2  LEU  15          3HD2      LEU  15   7.928 -13.044  23.901
   95   2HD2  LEU  15          1HD2      LEU  15   6.657 -12.273  24.843
   96   3HD2  LEU  15          2HD2      LEU  15   6.258 -13.581  23.735
   97    H    ASN  16           H        ASN  16   7.258  -8.398  20.259
   98    HA   ASN  16           HA       ASN  16   9.847  -6.937  20.619
   99   1HB   ASN  16          1HB       ASN  16   9.165  -7.529  17.875
  100   2HB   ASN  16          2HB       ASN  16  10.455  -8.261  18.840
  101   1HD2  ASN  16          2HD2      ASN  16   8.590 -11.181  19.670
  102   2HD2  ASN  16          1HD2      ASN  16   9.948 -10.230  20.055
  103    H    GLY  17           H        GLY  17   7.086  -7.033  18.373
  104   1HA   GLY  17          1HA       GLY  17   5.810  -5.354  17.372
  105   2HA   GLY  17          2HA       GLY  17   5.931  -4.532  18.917
  106    H    GLY  18           H        GLY  18   6.385  -4.066  15.743
  107   1HA   GLY  18          1HA       GLY  18   8.282  -1.851  16.248
  108   2HA   GLY  18          2HA       GLY  18   8.706  -3.016  15.004
  109    H    VAL  19           H        VAL  19   6.032  -3.488  14.100
  110    HA   VAL  19           HA       VAL  19   5.240  -0.868  13.048
  111    HB   VAL  19           HB       VAL  19   5.115  -3.249  11.265
  112   1HG1  VAL  19          3HG1      VAL  19   4.269  -1.065  10.516
  113   2HG1  VAL  19          1HG1      VAL  19   5.865  -0.354  10.795
  114   3HG1  VAL  19          2HG1      VAL  19   5.645  -1.571   9.543
  115   1HG2  VAL  19          1HG2      VAL  19   7.673  -1.804  11.991
  116   2HG2  VAL  19          2HG2      VAL  19   7.340  -3.525  12.178
  117   3HG2  VAL  19          3HG2      VAL  19   7.508  -2.826  10.566
  118    H    CYS  20           H        CYS  20   3.100  -0.994  11.896
  119    HA   CYS  20           HA       CYS  20   1.363  -3.136  13.007
  120   1HB   CYS  20          1HB       CYS  20   0.147  -1.702  14.235
  121   2HB   CYS  20          2HB       CYS  20   1.462  -0.577  14.026
  122    H    MET  21           H        MET  21  -0.384  -3.725  11.715
  123    HA   MET  21           HA       MET  21  -0.885  -2.148   9.258
  124   1HB   MET  21          1HB       MET  21  -0.413  -5.076   8.846
  125   2HB   MET  21          2HB       MET  21  -0.084  -3.744   7.746
  126   1HG   MET  21          1HG       MET  21   1.900  -3.122   9.097
  127   2HG   MET  21          2HG       MET  21   1.545  -4.421  10.214
  128   1HE   MET  21          2HE       MET  21   1.986  -3.598   6.602
  129   2HE   MET  21          3HE       MET  21   2.898  -4.932   5.897
  130   3HE   MET  21          1HE       MET  21   1.191  -5.140   6.290
  131    H    HIS  22           H        HIS  22  -2.480  -3.220   7.830
  132    HA   HIS  22           HA       HIS  22  -4.459  -4.916   9.279
  133   1HB   HIS  22          1HB       HIS  22  -6.257  -3.473   8.756
  134   2HB   HIS  22          2HB       HIS  22  -4.989  -2.327   9.175
  135    HD1  HIS  22           HD1      HIS  22  -6.669  -3.736   6.186
  136    HD2  HIS  22           HD2      HIS  22  -4.154  -0.673   7.101
  137    HE1  HIS  22           HE1      HIS  22  -6.546  -2.369   4.167
  138    H    ILE  23           H        ILE  23  -5.108  -6.585   8.008
  139    HA   ILE  23           HA       ILE  23  -4.481  -6.397   5.087
  140    HB   ILE  23           HB       ILE  23  -4.987  -8.906   6.748
  141   1HG1  ILE  23          1HG1      ILE  23  -2.329  -8.942   6.101
  142   2HG1  ILE  23          2HG1      ILE  23  -2.576  -7.224   6.384
  143   1HG2  ILE  23          1HG2      ILE  23  -5.251  -8.903   4.159
  144   2HG2  ILE  23          2HG2      ILE  23  -3.524  -8.579   4.090
  145   3HG2  ILE  23          3HG2      ILE  23  -4.112 -10.073   4.814
  146   1HD1  ILE  23          1HD1      ILE  23  -3.351  -9.448   8.303
  147   2HD1  ILE  23          2HD1      ILE  23  -1.950  -8.401   8.467
  148   3HD1  ILE  23          3HD1      ILE  23  -3.569  -7.724   8.589
  149    H    GLU  24           H        GLU  24  -6.728  -8.478   6.888
  150    HA   GLU  24           HA       GLU  24  -8.706  -8.187   4.774
  151   1HB   GLU  24          1HB       GLU  24  -8.521  -9.612   7.421
  152   2HB   GLU  24          2HB       GLU  24 -10.121  -9.382   6.722
  153   1HG   GLU  24          1HG       GLU  24  -7.932 -10.401   4.941
  154   2HG   GLU  24          2HG       GLU  24  -8.659 -11.518   6.093
  155    H    SER  25           H        SER  25 -11.095  -7.850   5.719
  156    HA   SER  25           HA       SER  25 -11.340  -5.061   6.189
  157   1HB   SER  25          1HB       SER  25 -13.760  -5.783   6.901
  158   2HB   SER  25          2HB       SER  25 -13.253  -6.257   5.269
  159    HG   SER  25           HG       SER  25 -12.469  -8.219   6.230
  160    H    LEU  26           H        LEU  26 -13.193  -6.846   8.427
  161    HA   LEU  26           HA       LEU  26 -12.173  -5.246  10.642
  162   1HB   LEU  26          1HB       LEU  26 -14.438  -7.067  10.081
  163   2HB   LEU  26          2HB       LEU  26 -13.825  -7.224  11.722
  164    HG   LEU  26           HG       LEU  26 -14.014  -4.725  11.969
  165   1HD1  LEU  26          3HD1      LEU  26 -14.332  -4.879   9.154
  166   2HD1  LEU  26          1HD1      LEU  26 -15.890  -4.363   9.788
  167   3HD1  LEU  26          2HD1      LEU  26 -14.439  -3.435  10.154
  168   1HD2  LEU  26          2HD2      LEU  26 -16.520  -6.254  11.191
  169   2HD2  LEU  26          3HD2      LEU  26 -15.813  -6.153  12.800
  170   3HD2  LEU  26          1HD2      LEU  26 -16.523  -4.722  12.060
  171    H    ASP  27           H        ASP  27 -11.962  -6.564  12.803
  172    HA   ASP  27           HA       ASP  27 -10.387  -7.783  14.037
  173   1HB   ASP  27          1HB       ASP  27 -11.299  -9.856  11.992
  174   2HB   ASP  27          2HB       ASP  27 -10.528 -10.229  13.532
  175    H    SER  28           H        SER  28  -8.882 -10.080  12.970
  176    HA   SER  28           HA       SER  28  -6.796 -10.511  12.034
  177   1HB   SER  28          1HB       SER  28  -8.039  -9.763   9.904
  178   2HB   SER  28          2HB       SER  28  -7.339  -8.154  10.154
  179    HG   SER  28           HG       SER  28  -6.123  -9.968   8.940
  180    OH   TYR  29           OH       TYR  29  -9.369  -2.568  11.045
  181    H    TYR  29           H        TYR  29  -5.810  -7.610  10.772
  182    HA   TYR  29           HA       TYR  29  -4.226  -6.037  11.462
  183   1HB   TYR  29          1HB       TYR  29  -5.726  -6.417  14.087
  184   2HB   TYR  29          2HB       TYR  29  -4.563  -5.137  13.799
  185    HD1  TYR  29           HD2      TYR  29  -5.031  -3.737  11.580
  186    HD2  TYR  29           HD1      TYR  29  -7.971  -5.948  13.711
  187    HE1  TYR  29           HE2      TYR  29  -6.785  -2.326  10.628
  188    HE2  TYR  29           HE1      TYR  29  -9.735  -4.551  12.730
  189    HH   TYR  29           HH       TYR  29  -9.956  -2.287  11.751
  190    H    THR  30           H        THR  30  -2.118  -6.122  12.045
  191    HA   THR  30           HA       THR  30  -1.289  -7.797  14.322
  192    HB   THR  30           HB       THR  30  -1.410  -9.579  12.638
  193    HG1  THR  30           HG1      THR  30   0.535 -10.022  13.313
  194   1HG2  THR  30          2HG2      THR  30  -1.407  -7.879  10.656
  195   2HG2  THR  30          3HG2      THR  30   0.337  -7.778  10.872
  196   3HG2  THR  30          1HG2      THR  30  -0.409  -9.307  10.410
  197    H    CYS  31           H        CYS  31   0.904  -7.593  14.829
  198    HA   CYS  31           HA       CYS  31   2.058  -5.056  13.900
  199   1HB   CYS  31          1HB       CYS  31   3.526  -5.311  15.882
  200   2HB   CYS  31          2HB       CYS  31   1.841  -5.407  16.322
  201    H    ASN  32           H        ASN  32   3.623  -5.121  12.356
  202    HA   ASN  32           HA       ASN  32   4.787  -7.657  11.593
  203   1HB   ASN  32          1HB       ASN  32   4.529  -5.223  10.337
  204   2HB   ASN  32          2HB       ASN  32   6.247  -5.211  10.748
  205   1HD2  ASN  32          2HD2      ASN  32   5.486  -7.057   7.478
  206   2HD2  ASN  32          1HD2      ASN  32   4.914  -5.572   8.065
  207    H    CYS  33           H        CYS  33   6.719  -8.503  11.989
  208    HA   CYS  33           HA       CYS  33   7.946  -7.995  14.477
  209   1HB   CYS  33          1HB       CYS  33   8.455  -9.673  12.081
  210   2HB   CYS  33          2HB       CYS  33   9.803  -9.473  13.164
  211    H    VAL  34           H        VAL  34  10.796  -8.223  13.885
  212    HA   VAL  34           HA       VAL  34  11.286  -5.536  12.677
  213    HB   VAL  34           HB       VAL  34  13.003  -5.794  14.937
  214   1HG1  VAL  34          2HG1      VAL  34  12.239  -3.723  13.825
  215   2HG1  VAL  34          3HG1      VAL  34  10.616  -4.032  14.411
  216   3HG1  VAL  34          1HG1      VAL  34  11.905  -3.690  15.555
  217   1HG2  VAL  34          2HG2      VAL  34  11.286  -7.361  15.833
  218   2HG2  VAL  34          3HG2      VAL  34  11.353  -5.864  16.754
  219   3HG2  VAL  34          1HG2      VAL  34  10.058  -6.120  15.587
  220    H    ILE  35           H        ILE  35  13.774  -5.096  13.257
  221    HA   ILE  35           HA       ILE  35  15.191  -6.747  11.332
  222    HB   ILE  35           HB       ILE  35  15.747  -4.281  13.019
  223   1HG1  ILE  35          1HG1      ILE  35  14.286  -3.906  11.112
  224   2HG1  ILE  35          2HG1      ILE  35  15.832  -3.122  10.837
  225   1HG2  ILE  35          1HG2      ILE  35  17.641  -6.018  11.539
  226   2HG2  ILE  35          2HG2      ILE  35  17.793  -4.301  11.201
  227   3HG2  ILE  35          3HG2      ILE  35  17.939  -4.886  12.854
  228   1HD1  ILE  35          3HD1      ILE  35  16.296  -5.571   9.683
  229   2HD1  ILE  35          1HD1      ILE  35  14.575  -5.375   9.382
  230   3HD1  ILE  35          2HD1      ILE  35  15.714  -4.165   8.807
  231    H    GLY  36           H        GLY  36  15.288  -8.736  12.544
  232   1HA   GLY  36          1HA       GLY  36  17.558  -9.591  13.620
  233   2HA   GLY  36          2HA       GLY  36  16.962  -8.661  14.988
  234    OH   TYR  37           OH       TYR  37  13.253  -6.637  19.361
  235    H    TYR  37           H        TYR  37  14.184  -9.395  14.025
  236    HA   TYR  37           HA       TYR  37  14.284 -12.231  14.627
  237   1HB   TYR  37          1HB       TYR  37  12.721 -12.022  16.517
  238   2HB   TYR  37          2HB       TYR  37  14.425 -11.620  16.704
  239    HD1  TYR  37           HD2      TYR  37  13.618  -8.612  15.340
  240    HD2  TYR  37           HD1      TYR  37  12.459 -11.003  18.595
  241    HE1  TYR  37           HE2      TYR  37  13.823  -6.705  16.764
  242    HE2  TYR  37           HE1      TYR  37  12.861  -9.186  20.135
  243    HH   TYR  37           HH       TYR  37  12.778  -6.851  20.166
  244    H    SER  38           H        SER  38  12.556 -13.461  14.399
  245    HA   SER  38           HA       SER  38  10.001 -12.425  13.522
  246   1HB   SER  38          1HB       SER  38  11.442 -11.891  11.508
  247   2HB   SER  38          2HB       SER  38  11.762 -13.629  11.339
  248    HG   SER  38           HG       SER  38   9.251 -13.573  11.679
  249    H    GLY  39           H        GLY  39  10.356 -14.825  11.447
  250   1HA   GLY  39          1HA       GLY  39  10.247 -17.223  11.597
  251   2HA   GLY  39          2HA       GLY  39  10.110 -17.086  13.349
  252    H    ASP  40           H        ASP  40   8.076 -15.332  13.628
  253    HA   ASP  40           HA       ASP  40   5.769 -15.959  11.988
  254   1HB   ASP  40          1HB       ASP  40   6.396 -17.959  13.762
  255   2HB   ASP  40          2HB       ASP  40   5.394 -16.942  14.792
  256    NH1  ARG  41           NH1      ARG  41   3.219 -16.807  19.291
  257    NH2  ARG  41           NH2      ARG  41   2.470 -15.356  20.894
  258    H    ARG  41           H        ARG  41   7.150 -14.815  14.959
  259    HA   ARG  41           HA       ARG  41   5.691 -12.323  14.828
  260   1HB   ARG  41          1HB       ARG  41   3.863 -13.098  16.023
  261   2HB   ARG  41          2HB       ARG  41   4.659 -14.616  16.377
  262   1HG   ARG  41          1HG       ARG  41   5.824 -13.523  18.294
  263   2HG   ARG  41          2HG       ARG  41   4.924 -12.040  17.948
  264   1HD   ARG  41          1HD       ARG  41   3.324 -12.864  19.308
  265   2HD   ARG  41          2HD       ARG  41   2.954 -13.989  18.000
  266    HE   ARG  41           HE       ARG  41   5.096 -14.868  19.805
  267   1HH1  ARG  41          1HH1      ARG  41   3.848 -16.997  18.536
  268   2HH1  ARG  41          2HH1      ARG  41   2.549 -17.493  19.568
  269   1HH2  ARG  41          1HH2      ARG  41   2.538 -14.463  21.340
  270   2HH2  ARG  41          2HH2      ARG  41   1.780 -16.014  21.194
  271    H    CYS  42           H        CYS  42   8.352 -13.469  14.853
  272    HA   CYS  42           HA       CYS  42  10.480 -13.010  15.706
  273   1HB   CYS  42          1HB       CYS  42  10.058 -10.975  17.576
  274   2HB   CYS  42          2HB       CYS  42  10.759 -10.861  15.985
  275    H    GLN  43           H        GLN  43   8.268 -14.563  17.150
  276    HA   GLN  43           HA       GLN  43   8.964 -14.477  19.910
  277   1HB   GLN  43          1HB       GLN  43   8.521 -17.165  19.509
  278   2HB   GLN  43          2HB       GLN  43   7.183 -16.020  19.572
  279   1HG   GLN  43          1HG       GLN  43   7.029 -15.903  17.198
  280   2HG   GLN  43          2HG       GLN  43   8.619 -16.634  16.980
  281   1HE2  GLN  43          2HE2      GLN  43   5.423 -19.016  17.069
  282   2HE2  GLN  43          1HE2      GLN  43   5.335 -17.335  16.866
  283    H    THR  44           H        THR  44  10.341 -15.510  16.967
  284    HA   THR  44           HA       THR  44  12.578 -16.964  18.202
  285    HB   THR  44           HB       THR  44  12.115 -16.032  15.291
  286    HG1  THR  44           HG1      THR  44  11.350 -18.147  15.067
  287   1HG2  THR  44          1HG2      THR  44  14.247 -17.567  16.697
  288   2HG2  THR  44          2HG2      THR  44  13.561 -18.427  15.325
  289   3HG2  THR  44          3HG2      THR  44  14.289 -16.840  15.096
  290    NH1  ARG  45           NH2      ARG  45  13.222 -13.373  23.465
  291    NH2  ARG  45           NH1      ARG  45  15.468 -13.605  23.827
  292    H    ARG  45           H        ARG  45  12.924 -15.069  19.515
  293    HA   ARG  45           HA       ARG  45  13.983 -12.669  18.260
  294   1HB   ARG  45          1HB       ARG  45  12.787 -12.278  20.292
  295   2HB   ARG  45          2HB       ARG  45  13.580 -13.620  21.102
  296   1HG   ARG  45          1HG       ARG  45  15.619 -12.436  21.286
  297   2HG   ARG  45          2HG       ARG  45  15.136 -11.237  20.100
  298   1HD   ARG  45          1HD       ARG  45  14.638 -10.003  21.961
  299   2HD   ARG  45          2HD       ARG  45  13.150 -10.929  21.958
  300    HE   ARG  45           HE       ARG  45  14.954 -11.023  24.065
  301   1HH1  ARG  45          1HH2      ARG  45  12.447 -12.779  23.252
  302   2HH1  ARG  45          2HH2      ARG  45  13.079 -14.352  23.611
  303   1HH2  ARG  45          1HH1      ARG  45  16.373 -13.186  23.886
  304   2HH2  ARG  45          2HH1      ARG  45  15.362 -14.587  23.977
  305    H    ASP  46           H        ASP  46  15.994 -12.245  17.775
  306    HA   ASP  46           HA       ASP  46  17.947 -14.320  18.257
  307   1HB   ASP  46          1HB       ASP  46  17.946 -12.909  16.166
  308   2HB   ASP  46          2HB       ASP  46  18.357 -11.502  17.145
  309    H    LEU  47           H        LEU  47  17.043 -13.586  20.592
  310    HA   LEU  47           HA       LEU  47  17.475 -12.221  22.573
  311   1HB   LEU  47          1HB       LEU  47  19.959 -13.969  22.377
  312   2HB   LEU  47          2HB       LEU  47  18.965 -13.638  23.788
  313    HG   LEU  47           HG       LEU  47  17.101 -14.794  22.195
  314   1HD1  LEU  47          2HD1      LEU  47  19.116 -15.132  20.531
  315   2HD1  LEU  47          3HD1      LEU  47  19.542 -16.457  21.611
  316   3HD1  LEU  47          1HD1      LEU  47  17.983 -16.454  20.792
  317   1HD2  LEU  47          1HD2      LEU  47  19.113 -15.983  24.111
  318   2HD2  LEU  47          2HD2      LEU  47  17.414 -15.614  24.395
  319   3HD2  LEU  47          3HD2      LEU  47  17.859 -16.987  23.384
  320    NH1  ARG  48           NH2      ARG  48  19.170 -12.501  26.902
  321    NH2  ARG  48           NH1      ARG  48  21.331 -12.778  26.218
  322    H    ARG  48           H        ARG  48  17.948 -10.272  22.551
  323    HA   ARG  48           HA       ARG  48  19.111  -8.321  22.471
  324   1HB   ARG  48          1HB       ARG  48  21.151 -10.295  23.475
  325   2HB   ARG  48          2HB       ARG  48  21.517  -8.577  23.375
  326   1HG   ARG  48          1HG       ARG  48  20.668  -8.844  25.588
  327   2HG   ARG  48          2HG       ARG  48  19.312  -8.205  24.677
  328   1HD   ARG  48          1HD       ARG  48  18.810 -10.186  26.216
  329   2HD   ARG  48          2HD       ARG  48  18.223 -10.309  24.563
  330    HE   ARG  48           HE       ARG  48  20.233 -11.788  24.129
  331   1HH1  ARG  48          1HH2      ARG  48  18.267 -12.104  26.746
  332   2HH1  ARG  48          2HH2      ARG  48  19.333 -13.072  27.707
  333   1HH2  ARG  48          1HH1      ARG  48  22.048 -12.589  25.547
  334   2HH2  ARG  48          2HH1      ARG  48  21.530 -13.352  27.015
  335    CH2  TRP  49           CH2      TRP  49  17.422  -4.418  15.637
  336    H    TRP  49           H        TRP  49  19.721  -7.101  21.072
  337    HA   TRP  49           HA       TRP  49  21.973  -7.399  19.363
  338   1HB   TRP  49          1HB       TRP  49  20.900  -7.945  17.261
  339   2HB   TRP  49          2HB       TRP  49  20.253  -9.099  18.412
  340    HD1  TRP  49           HD1      TRP  49  17.589  -9.248  18.554
  341    HE1  TRP  49           HE1      TRP  49  15.778  -7.694  17.746
  342    HE3  TRP  49           HE3      TRP  49  20.409  -5.679  16.517
  343    HZ2  TRP  49           HZ2      TRP  49  15.536  -5.272  16.117
  344    HZ3  TRP  49           HZ3      TRP  49  19.433  -3.803  15.278
  345    HH2  TRP  49           HH2      TRP  49  16.992  -3.604  15.071
  346    CH2  TRP  50           CH2      TRP  50  17.265  -7.062  23.646
  347    H    TRP  50           H        TRP  50  19.009  -5.888  20.259
  348    HA   TRP  50           HA       TRP  50  19.729  -3.417  18.771
  349   1HB   TRP  50          1HB       TRP  50  17.283  -2.870  19.452
  350   2HB   TRP  50          2HB       TRP  50  17.568  -4.096  18.243
  351    HD1  TRP  50           HD1      TRP  50  15.009  -4.718  19.163
  352    HE1  TRP  50           HE1      TRP  50  14.563  -6.812  20.505
  353    HE3  TRP  50           HE3      TRP  50  19.151  -4.868  22.023
  354    HZ2  TRP  50           HZ2      TRP  50  15.657  -8.148  22.821
  355    HZ3  TRP  50           HZ3      TRP  50  19.012  -5.943  24.149
  356    HH2  TRP  50           HH2      TRP  50  17.212  -7.568  24.597
  357    H    GLU  51           H        GLU  51  17.444  -3.340  21.233
  358    HA   GLU  51           HA       GLU  51  19.038  -1.440  22.830
  359   1HB   GLU  51          1HB       GLU  51  16.252  -1.755  21.802
  360   2HB   GLU  51          2HB       GLU  51  16.363  -1.096  23.453
  361   1HG   GLU  51          1HG       GLU  51  18.088   0.019  21.244
  362   2HG   GLU  51          2HG       GLU  51  16.447   0.608  21.508
  363    H    LEU  52           H        LEU  52  16.047  -2.780  23.933
  364    HA   LEU  52           HA       LEU  52  17.356  -4.688  25.752
  365   1HB   LEU  52          1HB       LEU  52  17.548  -2.466  26.895
  366   2HB   LEU  52          2HB       LEU  52  15.824  -2.215  26.704
  367    HG   LEU  52           HG       LEU  52  15.487  -4.337  28.115
  368   1HD1  LEU  52          2HD1      LEU  52  18.446  -3.837  28.598
  369   2HD1  LEU  52          3HD1      LEU  52  17.443  -4.871  29.608
  370   3HD1  LEU  52          1HD1      LEU  52  17.730  -5.302  27.932
  371   1HD2  LEU  52          2HD2      LEU  52  16.660  -1.747  29.080
  372   2HD2  LEU  52          3HD2      LEU  52  15.002  -2.324  29.196
  373   3HD2  LEU  52          1HD2      LEU  52  16.242  -3.006  30.241
  374    NH1  ARG  53           NH1      ARG  53  14.587 -11.536  26.186
  375    NH2  ARG  53           NH2      ARG  53  16.538 -11.258  27.342
  376    H    ARG  53           H        ARG  53  15.829  -6.045  26.833
  377    HA   ARG  53           HA       ARG  53  13.750  -7.084  25.388
  378   1HB   ARG  53          1HB       ARG  53  14.264  -6.805  28.338
  379   2HB   ARG  53          2HB       ARG  53  12.678  -7.393  27.853
  380   1HG   ARG  53          1HG       ARG  53  13.687  -9.218  26.590
  381   2HG   ARG  53          2HG       ARG  53  15.301  -8.584  26.895
  382   1HD   ARG  53          1HD       ARG  53  15.168  -9.075  29.227
  383   2HD   ARG  53          2HD       ARG  53  13.422  -9.315  29.154
  384    HE   ARG  53           HE       ARG  53  14.199 -11.573  28.941
  385   1HH1  ARG  53          1HH1      ARG  53  13.588 -11.502  26.172
  386   2HH1  ARG  53          2HH1      ARG  53  15.089 -11.794  25.361
  387   1HH2  ARG  53          1HH2      ARG  53  16.999 -11.016  28.196
  388   2HH2  ARG  53          2HH2      ARG  53  17.075 -11.520  26.540
   
  Start of MODEL           5
 Raw file had 388 H/Q atoms
  Start of MODEL    5
    1   1H    ASN   1          2H        ASN   1   5.604   0.277   3.859
    2   2H    ASN   1          3H        ASN   1   6.785   0.612   2.686
    3   3H    ASN   1          1H        ASN   1   5.302   1.437   2.655
    4    HA   ASN   1           HA       ASN   1   5.105  -0.136   0.978
    5   1HB   ASN   1          1HB       ASN   1   6.213  -2.111   3.033
    6   2HB   ASN   1          2HB       ASN   1   5.650  -2.555   1.424
    7   1HD2  ASN   1          2HD2      ASN   1   8.953  -2.054   0.284
    8   2HD2  ASN   1          1HD2      ASN   1   7.649  -3.128   0.449
    9    H    SER   2           H        SER   2   4.386  -0.670   4.371
   10    HA   SER   2           HA       SER   2   1.739  -1.820   3.616
   11   1HB   SER   2          1HB       SER   2   2.368  -1.663   6.497
   12   2HB   SER   2          2HB       SER   2   1.995  -3.098   5.519
   13    HG   SER   2           HG       SER   2   4.429  -1.935   6.129
   14    OH   TYR   3           OH       TYR   3  -2.700   2.684  -0.228
   15    H    TYR   3           H        TYR   3  -0.113  -1.133   4.960
   16    HA   TYR   3           HA       TYR   3  -0.127   1.804   5.105
   17   1HB   TYR   3          1HB       TYR   3  -2.188  -0.392   5.046
   18   2HB   TYR   3          2HB       TYR   3  -2.659   1.173   5.700
   19    HD1  TYR   3           HD2      TYR   3  -2.381   3.236   4.253
   20    HD2  TYR   3           HD1      TYR   3  -1.930  -0.694   2.684
   21    HE1  TYR   3           HE2      TYR   3  -2.700   4.104   1.983
   22    HE2  TYR   3           HE1      TYR   3  -2.271   0.175   0.416
   23    HH   TYR   3           HH       TYR   3  -3.642   2.835  -0.347
   24    HA   PRO   4           HA       PRO   4   0.449   1.291   9.569
   25   1HB   PRO   4          1HB       PRO   4  -0.221   4.020  10.141
   26   2HB   PRO   4          2HB       PRO   4   1.402   3.343  10.000
   27   1HG   PRO   4          1HG       PRO   4  -0.001   5.090   8.129
   28   2HG   PRO   4          2HG       PRO   4   1.684   4.568   8.089
   29   1HD   PRO   4          2HD       PRO   4  -0.449   3.677   6.396
   30   2HD   PRO   4          1HD       PRO   4   1.219   3.067   6.440
   31    H    GLY   5           H        GLY   5  -1.238   0.229  10.495
   32   1HA   GLY   5          1HA       GLY   5  -3.563   1.727  11.369
   33   2HA   GLY   5          2HA       GLY   5  -3.950   0.628  10.058
   34    H    CYS   6           H        CYS   6  -4.507   0.738  13.126
   35    HA   CYS   6           HA       CYS   6  -4.493  -2.128  13.414
   36   1HB   CYS   6          1HB       CYS   6  -2.925  -1.236  15.654
   37   2HB   CYS   6          2HB       CYS   6  -2.567  -2.474  14.487
   38    HA   PRO   7           HA       PRO   7  -7.826  -0.393  16.047
   39   1HB   PRO   7          1HB       PRO   7  -8.207  -3.255  16.755
   40   2HB   PRO   7          2HB       PRO   7  -9.389  -2.113  16.103
   41   1HG   PRO   7          1HG       PRO   7  -8.187  -4.163  14.651
   42   2HG   PRO   7          2HG       PRO   7  -8.917  -2.726  13.925
   43   1HD   PRO   7          2HD       PRO   7  -6.089  -3.455  14.138
   44   2HD   PRO   7          1HD       PRO   7  -6.826  -2.175  13.161
   45    H    SER   8           H        SER   8  -8.526  -0.833  18.339
   46    HA   SER   8           HA       SER   8  -6.148  -0.661  19.956
   47   1HB   SER   8          1HB       SER   8  -8.810  -0.940  21.319
   48   2HB   SER   8          2HB       SER   8  -7.577   0.319  21.511
   49    HG   SER   8           HG       SER   8  -9.650   0.748  20.240
   50    H    SER   9           H        SER   9  -5.537  -2.880  19.206
   51    HA   SER   9           HA       SER   9  -5.896  -4.731  21.413
   52   1HB   SER   9          1HB       SER   9  -7.489  -6.128  20.468
   53   2HB   SER   9          2HB       SER   9  -7.699  -4.941  19.165
   54    HG   SER   9           HG       SER   9  -6.909  -6.671  18.123
   55    OH   TYR  10           OH       TYR  10  -4.917  -8.933  14.753
   56    H    TYR  10           H        TYR  10  -4.425  -3.472  18.733
   57    HA   TYR  10           HA       TYR  10  -2.449  -5.678  18.499
   58   1HB   TYR  10          1HB       TYR  10  -3.317  -3.336  16.793
   59   2HB   TYR  10          2HB       TYR  10  -1.694  -4.003  16.561
   60    HD1  TYR  10           HD2      TYR  10  -1.464  -6.457  16.251
   61    HD2  TYR  10           HD1      TYR  10  -5.236  -4.560  15.973
   62    HE1  TYR  10           HE2      TYR  10  -2.415  -8.567  15.537
   63    HE2  TYR  10           HE1      TYR  10  -6.214  -6.664  15.133
   64    HH   TYR  10           HH       TYR  10  -5.711  -9.127  15.255
   65    H    ASP  11           H        ASP  11  -2.899  -3.339  20.528
   66    HA   ASP  11           HA       ASP  11  -0.162  -2.199  20.447
   67   1HB   ASP  11          1HB       ASP  11  -2.473  -0.940  21.009
   68   2HB   ASP  11          2HB       ASP  11  -2.189  -1.596  22.618
   69    H    GLY  12           H        GLY  12  -1.308  -4.990  21.257
   70   1HA   GLY  12          1HA       GLY  12   0.556  -5.315  23.530
   71   2HA   GLY  12          2HA       GLY  12  -1.119  -5.772  23.816
   72    OH   TYR  13           OH       TYR  13   1.644 -11.137  14.983
   73    H    TYR  13           H        TYR  13  -0.822  -6.507  20.673
   74    HA   TYR  13           HA       TYR  13  -0.398  -9.332  21.282
   75   1HB   TYR  13          1HB       TYR  13  -1.921  -9.265  19.531
   76   2HB   TYR  13          2HB       TYR  13  -1.362  -7.690  18.970
   77    HD1  TYR  13           HD2      TYR  13  -0.152 -11.248  19.142
   78    HD2  TYR  13           HD1      TYR  13  -0.134  -7.571  17.074
   79    HE1  TYR  13           HE2      TYR  13   0.989 -12.319  17.246
   80    HE2  TYR  13           HE1      TYR  13   0.834  -8.625  15.132
   81    HH   TYR  13           HH       TYR  13   0.971 -11.408  14.353
   82    H    CYS  14           H        CYS  14   1.486  -6.697  20.258
   83    HA   CYS  14           HA       CYS  14   3.656  -8.505  19.297
   84   1HB   CYS  14          1HB       CYS  14   3.901  -5.536  19.156
   85   2HB   CYS  14          2HB       CYS  14   4.431  -6.741  18.014
   86    H    LEU  15           H        LEU  15   4.951  -9.089  20.907
   87    HA   LEU  15           HA       LEU  15   5.437  -7.386  23.233
   88   1HB   LEU  15          1HB       LEU  15   7.444  -9.420  23.060
   89   2HB   LEU  15          2HB       LEU  15   6.015  -9.458  24.080
   90    HG   LEU  15           HG       LEU  15   6.045 -10.351  21.167
   91   1HD1  LEU  15          2HD1      LEU  15   7.523 -11.730  22.647
   92   2HD1  LEU  15          3HD1      LEU  15   6.117 -12.079  23.651
   93   3HD1  LEU  15          1HD1      LEU  15   6.161 -12.624  21.973
   94   1HD2  LEU  15          1HD2      LEU  15   3.967 -10.083  23.259
   95   2HD2  LEU  15          2HD2      LEU  15   3.774 -10.221  21.521
   96   3HD2  LEU  15          3HD2      LEU  15   4.005 -11.666  22.491
   97    H    ASN  16           H        ASN  16   7.394  -8.765  20.676
   98    HA   ASN  16           HA       ASN  16   9.752  -7.177  21.106
   99   1HB   ASN  16          1HB       ASN  16   8.766  -8.369  18.482
  100   2HB   ASN  16          2HB       ASN  16  10.425  -8.195  19.020
  101   1HD2  ASN  16          2HD2      ASN  16  10.165 -10.941  21.365
  102   2HD2  ASN  16          1HD2      ASN  16  10.881  -9.413  21.183
  103    H    GLY  17           H        GLY  17  10.403  -6.018  18.713
  104   1HA   GLY  17          1HA       GLY  17   9.039  -3.527  18.779
  105   2HA   GLY  17          2HA       GLY  17   9.987  -4.093  17.392
  106    H    GLY  18           H        GLY  18   8.884  -4.922  15.609
  107   1HA   GLY  18          1HA       GLY  18   7.017  -5.772  14.432
  108   2HA   GLY  18          2HA       GLY  18   6.155  -5.859  15.957
  109    H    VAL  19           H        VAL  19   6.077  -4.458  13.088
  110    HA   VAL  19           HA       VAL  19   5.068  -1.901  14.054
  111    HB   VAL  19           HB       VAL  19   5.707  -2.826  11.234
  112   1HG1  VAL  19          3HG1      VAL  19   4.698  -0.290  12.454
  113   2HG1  VAL  19          1HG1      VAL  19   5.855  -0.149  11.131
  114   3HG1  VAL  19          2HG1      VAL  19   4.334  -1.000  10.884
  115   1HG2  VAL  19          2HG2      VAL  19   7.672  -2.704  12.918
  116   2HG2  VAL  19          3HG2      VAL  19   7.828  -1.713  11.465
  117   3HG2  VAL  19          1HG2      VAL  19   7.351  -0.970  12.985
  118    H    CYS  20           H        CYS  20   2.985  -2.138  14.598
  119    HA   CYS  20           HA       CYS  20   1.188  -4.000  13.373
  120   1HB   CYS  20          1HB       CYS  20  -0.438  -3.107  14.785
  121   2HB   CYS  20          2HB       CYS  20   1.051  -2.948  15.659
  122    H    MET  21           H        MET  21   0.187  -3.976  11.565
  123    HA   MET  21           HA       MET  21  -0.407  -1.361  10.212
  124   1HB   MET  21          1HB       MET  21   0.030  -3.805   8.547
  125   2HB   MET  21          2HB       MET  21   0.579  -2.157   8.248
  126   1HG   MET  21          1HG       MET  21   2.279  -2.491  10.079
  127   2HG   MET  21          2HG       MET  21   1.790  -4.163  10.168
  128   1HE   MET  21          2HE       MET  21   1.894  -5.813   8.300
  129   2HE   MET  21          3HE       MET  21   3.489  -6.039   7.587
  130   3HE   MET  21          1HE       MET  21   3.314  -5.910   9.337
  131    H    HIS  22           H        HIS  22  -1.802  -1.996   8.169
  132    HA   HIS  22           HA       HIS  22  -4.027  -3.770   9.081
  133   1HB   HIS  22          1HB       HIS  22  -4.716  -1.490   9.527
  134   2HB   HIS  22          2HB       HIS  22  -4.098  -0.926   7.981
  135    HD1  HIS  22           HD1      HIS  22  -6.307  -0.249   6.990
  136    HD2  HIS  22           HD2      HIS  22  -6.446  -4.082   8.334
  137    HE1  HIS  22           HE1      HIS  22  -8.425  -1.148   6.173
  138    H    ILE  23           H        ILE  23  -1.979  -2.695   6.558
  139    HA   ILE  23           HA       ILE  23  -2.076  -2.967   4.196
  140    HB   ILE  23           HB       ILE  23  -2.090  -5.562   3.783
  141   1HG1  ILE  23          1HG1      ILE  23  -1.990  -5.462   6.818
  142   2HG1  ILE  23          2HG1      ILE  23  -3.328  -6.104   5.872
  143   1HG2  ILE  23          2HG2      ILE  23  -0.046  -4.090   4.032
  144   2HG2  ILE  23          3HG2      ILE  23  -0.124  -4.321   5.776
  145   3HG2  ILE  23          1HG2      ILE  23   0.211  -5.687   4.719
  146   1HD1  ILE  23          1HD1      ILE  23  -1.293  -7.501   4.757
  147   2HD1  ILE  23          2HD1      ILE  23  -0.624  -7.258   6.368
  148   3HD1  ILE  23          3HD1      ILE  23  -2.170  -8.075   6.169
  149    H    GLU  24           H        GLU  24  -3.708  -2.265   3.021
  150    HA   GLU  24           HA       GLU  24  -6.417  -2.770   3.205
  151   1HB   GLU  24          1HB       GLU  24  -4.675  -1.601   1.301
  152   2HB   GLU  24          2HB       GLU  24  -5.603  -2.788   0.394
  153   1HG   GLU  24          1HG       GLU  24  -6.832  -0.682   0.380
  154   2HG   GLU  24          2HG       GLU  24  -7.703  -1.825   1.397
  155    H    SER  25           H        SER  25  -4.135  -4.665   1.228
  156    HA   SER  25           HA       SER  25  -6.048  -6.517   0.236
  157   1HB   SER  25          1HB       SER  25  -3.090  -6.349   0.488
  158   2HB   SER  25          2HB       SER  25  -3.719  -8.007   0.439
  159    HG   SER  25           HG       SER  25  -5.160  -6.969  -1.292
  160    H    LEU  26           H        LEU  26  -7.302  -7.860   1.342
  161    HA   LEU  26           HA       LEU  26  -8.119  -9.114   3.157
  162   1HB   LEU  26          1HB       LEU  26  -5.474 -10.160   2.284
  163   2HB   LEU  26          2HB       LEU  26  -5.970 -10.704   3.881
  164    HG   LEU  26           HG       LEU  26  -8.182 -11.408   2.891
  165   1HD1  LEU  26          2HD1      LEU  26  -8.089  -9.851   0.938
  166   2HD1  LEU  26          3HD1      LEU  26  -6.767 -10.801   0.272
  167   3HD1  LEU  26          1HD1      LEU  26  -8.366 -11.517   0.443
  168   1HD2  LEU  26          2HD2      LEU  26  -5.584 -12.557   1.848
  169   2HD2  LEU  26          3HD2      LEU  26  -6.589 -13.156   3.164
  170   3HD2  LEU  26          1HD2      LEU  26  -7.136 -13.314   1.499
  171    H    ASP  27           H        ASP  27  -8.459  -7.695   4.784
  172    HA   ASP  27           HA       ASP  27  -6.291  -6.698   6.434
  173   1HB   ASP  27          1HB       ASP  27  -9.314  -6.699   6.843
  174   2HB   ASP  27          2HB       ASP  27  -8.168  -5.772   7.812
  175    H    SER  28           H        SER  28  -5.435  -7.527   8.156
  176    HA   SER  28           HA       SER  28  -6.895  -9.535   9.771
  177   1HB   SER  28          1HB       SER  28  -4.379 -10.669   9.710
  178   2HB   SER  28          2HB       SER  28  -5.655 -11.155   8.575
  179    HG   SER  28           HG       SER  28  -3.388 -10.012   7.979
  180    OH   TYR  29           OH       TYR  29  -9.212  -2.918  10.370
  181    H    TYR  29           H        TYR  29  -4.799  -6.973   9.348
  182    HA   TYR  29           HA       TYR  29  -3.567  -5.634  10.792
  183   1HB   TYR  29          1HB       TYR  29  -5.363  -6.993  12.844
  184   2HB   TYR  29          2HB       TYR  29  -4.429  -5.533  13.140
  185    HD1  TYR  29           HD2      TYR  29  -4.839  -3.620  11.296
  186    HD2  TYR  29           HD1      TYR  29  -7.599  -6.720  12.220
  187    HE1  TYR  29           HE2      TYR  29  -6.680  -2.233  10.477
  188    HE2  TYR  29           HE1      TYR  29  -9.436  -5.343  11.363
  189    HH   TYR  29           HH       TYR  29  -8.839  -2.090  10.058
  190    H    THR  30           H        THR  30  -1.477  -5.956  11.271
  191    HA   THR  30           HA       THR  30  -0.768  -7.883  13.369
  192    HB   THR  30           HB       THR  30  -0.972  -9.535  11.559
  193    HG1  THR  30           HG1      THR  30   1.342  -9.930  11.284
  194   1HG2  THR  30          2HG2      THR  30   0.090  -7.264   9.966
  195   2HG2  THR  30          3HG2      THR  30   0.983  -8.754   9.675
  196   3HG2  THR  30          1HG2      THR  30  -0.755  -8.701   9.392
  197    H    CYS  31           H        CYS  31   1.572  -8.068  13.661
  198    HA   CYS  31           HA       CYS  31   2.819  -5.438  13.154
  199   1HB   CYS  31          1HB       CYS  31   2.880  -7.478  15.264
  200   2HB   CYS  31          2HB       CYS  31   4.454  -6.860  14.860
  201    H    ASN  32           H        ASN  32   4.459  -5.179  11.822
  202    HA   ASN  32           HA       ASN  32   5.518  -7.437  10.323
  203   1HB   ASN  32          1HB       ASN  32   5.270  -4.760   9.784
  204   2HB   ASN  32          2HB       ASN  32   6.942  -4.787  10.329
  205   1HD2  ASN  32          2HD2      ASN  32   7.806  -7.223   7.678
  206   2HD2  ASN  32          1HD2      ASN  32   7.919  -7.164   9.369
  207    H    CYS  33           H        CYS  33   6.903  -8.816  11.375
  208    HA   CYS  33           HA       CYS  33   8.433  -8.090  13.634
  209   1HB   CYS  33          1HB       CYS  33   8.390 -10.349  11.718
  210   2HB   CYS  33          2HB       CYS  33   9.922 -10.132  12.521
  211    H    VAL  34           H        VAL  34  11.170  -8.913  12.960
  212    HA   VAL  34           HA       VAL  34  11.875  -6.715  11.068
  213    HB   VAL  34           HB       VAL  34  13.712  -6.698  13.271
  214   1HG1  VAL  34          2HG1      VAL  34  13.304  -4.878  11.625
  215   2HG1  VAL  34          3HG1      VAL  34  11.708  -4.637  12.330
  216   3HG1  VAL  34          1HG1      VAL  34  13.152  -4.321  13.287
  217   1HG2  VAL  34          2HG2      VAL  34  11.768  -7.534  14.584
  218   2HG2  VAL  34          3HG2      VAL  34  12.165  -5.871  15.022
  219   3HG2  VAL  34          1HG2      VAL  34  10.805  -6.197  13.973
  220    H    ILE  35           H        ILE  35  14.399  -6.490  11.336
  221    HA   ILE  35           HA       ILE  35  15.374  -8.810   9.893
  222    HB   ILE  35           HB       ILE  35  16.359  -6.045  10.642
  223   1HG1  ILE  35          1HG1      ILE  35  14.802  -6.206   8.756
  224   2HG1  ILE  35          2HG1      ILE  35  16.385  -5.663   8.232
  225   1HG2  ILE  35          1HG2      ILE  35  17.948  -8.401   9.723
  226   2HG2  ILE  35          2HG2      ILE  35  18.277  -6.875   8.916
  227   3HG2  ILE  35          3HG2      ILE  35  18.446  -7.003  10.659
  228   1HD1  ILE  35          3HD1      ILE  35  16.510  -8.462   7.964
  229   2HD1  ILE  35          1HD1      ILE  35  14.896  -8.032   7.423
  230   3HD1  ILE  35          2HD1      ILE  35  16.303  -7.294   6.674
  231    H    GLY  36           H        GLY  36  15.501 -10.388  11.451
  232   1HA   GLY  36          1HA       GLY  36  17.649 -11.245  12.650
  233   2HA   GLY  36          2HA       GLY  36  17.351  -9.873  13.702
  234    OH   TYR  37           OH       TYR  37  13.398  -5.893  17.633
  235    H    TYR  37           H        TYR  37  14.442 -10.221  13.481
  236    HA   TYR  37           HA       TYR  37  14.264 -12.790  14.888
  237   1HB   TYR  37          1HB       TYR  37  12.999 -11.874  16.673
  238   2HB   TYR  37          2HB       TYR  37  14.717 -11.450  16.609
  239    HD1  TYR  37           HD2      TYR  37  14.232  -9.029  14.530
  240    HD2  TYR  37           HD1      TYR  37  12.399 -10.242  18.146
  241    HE1  TYR  37           HE2      TYR  37  14.331  -6.779  15.295
  242    HE2  TYR  37           HE1      TYR  37  12.633  -8.051  19.020
  243    HH   TYR  37           HH       TYR  37  13.833  -5.863  18.487
  244    H    SER  38           H        SER  38  12.415 -13.829  15.111
  245    HA   SER  38           HA       SER  38  10.005 -12.775  13.878
  246   1HB   SER  38          1HB       SER  38  11.802 -14.652  12.313
  247   2HB   SER  38          2HB       SER  38  10.063 -14.580  11.976
  248    HG   SER  38           HG       SER  38  11.961 -12.485  11.926
  249    H    GLY  39           H        GLY  39   8.789 -15.133  13.043
  250   1HA   GLY  39          1HA       GLY  39   8.365 -17.427  13.961
  251   2HA   GLY  39          2HA       GLY  39   8.694 -16.756  15.564
  252    H    ASP  40           H        ASP  40   6.505 -17.323  16.278
  253    HA   ASP  40           HA       ASP  40   4.135 -16.640  14.929
  254   1HB   ASP  40          1HB       ASP  40   4.896 -16.761  17.867
  255   2HB   ASP  40          2HB       ASP  40   3.298 -16.163  17.424
  256    NH1  ARG  41           NH1      ARG  41   1.400 -13.925  20.027
  257    NH2  ARG  41           NH2      ARG  41   1.649 -12.538  21.823
  258    H    ARG  41           H        ARG  41   6.525 -14.707  16.405
  259    HA   ARG  41           HA       ARG  41   5.869 -12.279  15.189
  260   1HB   ARG  41          1HB       ARG  41   4.998 -11.091  17.369
  261   2HB   ARG  41          2HB       ARG  41   3.842 -12.025  16.435
  262   1HG   ARG  41          1HG       ARG  41   3.807 -13.787  17.997
  263   2HG   ARG  41          2HG       ARG  41   5.386 -13.358  18.662
  264   1HD   ARG  41          1HD       ARG  41   4.453 -11.355  19.667
  265   2HD   ARG  41          2HD       ARG  41   2.887 -11.658  18.919
  266    HE   ARG  41           HE       ARG  41   4.086 -13.442  21.006
  267   1HH1  ARG  41          1HH1      ARG  41   1.804 -14.381  19.234
  268   2HH1  ARG  41          2HH1      ARG  41   0.434 -14.063  20.247
  269   1HH2  ARG  41          1HH2      ARG  41   2.240 -11.954  22.379
  270   2HH2  ARG  41          2HH2      ARG  41   0.685 -12.652  22.068
  271    H    CYS  42           H        CYS  42   8.216 -12.977  15.268
  272    HA   CYS  42           HA       CYS  42  10.389 -12.819  16.185
  273   1HB   CYS  42          1HB       CYS  42  10.070 -10.346  17.552
  274   2HB   CYS  42          2HB       CYS  42  10.934 -10.702  16.063
  275    H    GLN  43           H        GLN  43   8.140 -13.904  17.904
  276    HA   GLN  43           HA       GLN  43   8.658 -13.233  20.608
  277   1HB   GLN  43          1HB       GLN  43   8.169 -15.838  20.915
  278   2HB   GLN  43          2HB       GLN  43   6.876 -14.819  20.290
  279   1HG   GLN  43          1HG       GLN  43   7.273 -15.513  18.042
  280   2HG   GLN  43          2HG       GLN  43   8.835 -16.215  18.454
  281   1HE2  GLN  43          2HE2      GLN  43   7.063 -19.287  18.542
  282   2HE2  GLN  43          1HE2      GLN  43   8.168 -18.337  17.672
  283    H    THR  44           H        THR  44  10.282 -14.978  18.148
  284    HA   THR  44           HA       THR  44  12.447 -15.857  19.958
  285    HB   THR  44           HB       THR  44  11.796 -16.314  16.992
  286    HG1  THR  44           HG1      THR  44  12.181 -18.485  17.897
  287   1HG2  THR  44          1HG2      THR  44  14.428 -16.521  18.473
  288   2HG2  THR  44          2HG2      THR  44  14.012 -17.837  17.378
  289   3HG2  THR  44          3HG2      THR  44  14.164 -16.193  16.764
  290    NH1  ARG  45           NH1      ARG  45  12.495 -10.951  23.790
  291    NH2  ARG  45           NH2      ARG  45  11.820  -8.770  23.924
  292    H    ARG  45           H        ARG  45  12.826 -13.722  20.528
  293    HA   ARG  45           HA       ARG  45  13.944 -11.880  18.533
  294   1HB   ARG  45          1HB       ARG  45  12.517 -10.865  20.236
  295   2HB   ARG  45          2HB       ARG  45  13.346 -11.729  21.520
  296   1HG   ARG  45          1HG       ARG  45  15.324 -10.391  21.259
  297   2HG   ARG  45          2HG       ARG  45  14.731  -9.693  19.756
  298   1HD   ARG  45          1HD       ARG  45  14.262  -8.013  21.368
  299   2HD   ARG  45          2HD       ARG  45  12.719  -8.846  21.209
  300    HE   ARG  45           HE       ARG  45  14.631  -9.250  23.471
  301   1HH1  ARG  45          1HH1      ARG  45  13.180 -11.619  23.501
  302   2HH1  ARG  45          2HH1      ARG  45  11.661 -11.258  24.249
  303   1HH2  ARG  45          1HH2      ARG  45  12.001  -7.803  23.733
  304   2HH2  ARG  45          2HH2      ARG  45  10.974  -9.038  24.382
  305    H    ASP  46           H        ASP  46  15.939 -12.152  17.933
  306    HA   ASP  46           HA       ASP  46  17.782 -13.613  19.580
  307   1HB   ASP  46          1HB       ASP  46  17.972 -12.071  16.982
  308   2HB   ASP  46          2HB       ASP  46  19.453 -12.595  17.777
  309    H    LEU  47           H        LEU  47  17.173 -12.082  21.366
  310    HA   LEU  47           HA       LEU  47  17.424  -9.835  22.340
  311   1HB   LEU  47          1HB       LEU  47  19.994 -10.590  23.333
  312   2HB   LEU  47          2HB       LEU  47  18.442 -10.838  24.113
  313    HG   LEU  47           HG       LEU  47  19.577 -12.753  22.046
  314   1HD1  LEU  47          2HD1      LEU  47  19.772 -12.754  25.076
  315   2HD1  LEU  47          3HD1      LEU  47  20.097 -14.169  24.085
  316   3HD1  LEU  47          1HD1      LEU  47  21.108 -12.735  23.929
  317   1HD2  LEU  47          2HD2      LEU  47  17.020 -12.461  23.216
  318   2HD2  LEU  47          3HD2      LEU  47  17.604 -13.848  22.305
  319   3HD2  LEU  47          1HD2      LEU  47  17.771 -13.815  24.060
  320    NH1  ARG  48           NH1      ARG  48  17.436  -4.730  25.842
  321    NH2  ARG  48           NH2      ARG  48  15.907  -6.424  25.864
  322    H    ARG  48           H        ARG  48  17.883  -8.032  21.848
  323    HA   ARG  48           HA       ARG  48  18.813  -6.472  20.245
  324   1HB   ARG  48          1HB       ARG  48  20.202  -6.642  22.911
  325   2HB   ARG  48          2HB       ARG  48  20.596  -5.353  21.777
  326   1HG   ARG  48          1HG       ARG  48  18.823  -4.555  23.250
  327   2HG   ARG  48          2HG       ARG  48  18.147  -4.795  21.653
  328   1HD   ARG  48          1HD       ARG  48  16.985  -6.734  22.276
  329   2HD   ARG  48          2HD       ARG  48  18.014  -7.021  23.681
  330    HE   ARG  48           HE       ARG  48  15.862  -4.960  23.498
  331   1HH1  ARG  48          1HH1      ARG  48  17.966  -4.061  25.322
  332   2HH1  ARG  48          2HH1      ARG  48  17.513  -4.764  26.838
  333   1HH2  ARG  48          1HH2      ARG  48  15.289  -7.028  25.359
  334   2HH2  ARG  48          2HH2      ARG  48  15.961  -6.482  26.862
  335    CH2  TRP  49           CH2      TRP  49  21.376  -8.998  12.278
  336    H    TRP  49           H        TRP  49  19.797  -6.612  18.507
  337    HA   TRP  49           HA       TRP  49  22.674  -7.073  18.410
  338   1HB   TRP  49          1HB       TRP  49  22.653  -9.150  17.268
  339   2HB   TRP  49          2HB       TRP  49  21.321  -9.373  18.386
  340    HD1  TRP  49           HD1      TRP  49  18.823  -9.819  17.261
  341    HE1  TRP  49           HE1      TRP  49  18.342 -10.384  14.886
  342    HE3  TRP  49           HE3      TRP  49  22.936  -8.016  15.076
  343    HZ2  TRP  49           HZ2      TRP  49  19.486  -9.970  12.209
  344    HZ3  TRP  49           HZ3      TRP  49  23.238  -8.020  12.645
  345    HH2  TRP  49           HH2      TRP  49  21.495  -8.989  11.203
  346    CH2  TRP  50           CH2      TRP  50  16.802  -5.229  19.491
  347    H    TRP  50           H        TRP  50  19.666  -6.675  16.801
  348    HA   TRP  50           HA       TRP  50  20.853  -5.516  14.364
  349   1HB   TRP  50          1HB       TRP  50  18.331  -5.658  13.815
  350   2HB   TRP  50          2HB       TRP  50  19.218  -7.148  14.103
  351    HD1  TRP  50           HD1      TRP  50  16.558  -7.921  14.644
  352    HE1  TRP  50           HE1      TRP  50  15.610  -8.281  16.931
  353    HE3  TRP  50           HE3      TRP  50  19.203  -4.554  17.338
  354    HZ2  TRP  50           HZ2      TRP  50  15.623  -6.968  19.501
  355    HZ3  TRP  50           HZ3      TRP  50  18.192  -3.633  19.282
  356    HH2  TRP  50           HH2      TRP  50  16.368  -4.849  20.399
  357    H    GLU  51           H        GLU  51  17.733  -4.668  15.187
  358    HA   GLU  51           HA       GLU  51  17.920  -1.909  14.743
  359   1HB   GLU  51          1HB       GLU  51  15.999  -3.974  15.304
  360   2HB   GLU  51          2HB       GLU  51  15.667  -2.624  16.410
  361   1HG   GLU  51          1HG       GLU  51  16.012  -2.304  13.403
  362   2HG   GLU  51          2HG       GLU  51  14.451  -2.422  14.208
  363    H    LEU  52           H        LEU  52  16.492  -0.661  16.725
  364    HA   LEU  52           HA       LEU  52  18.118  -0.982  19.190
  365   1HB   LEU  52          1HB       LEU  52  18.561   1.068  17.276
  366   2HB   LEU  52          2HB       LEU  52  17.673   1.854  18.573
  367    HG   LEU  52           HG       LEU  52  20.129   0.125  19.038
  368   1HD1  LEU  52          2HD1      LEU  52  19.808   3.085  18.559
  369   2HD1  LEU  52          3HD1      LEU  52  21.121   2.480  19.562
  370   3HD1  LEU  52          1HD1      LEU  52  21.000   1.982  17.878
  371   1HD2  LEU  52          1HD2      LEU  52  18.299   0.629  20.873
  372   2HD2  LEU  52          2HD2      LEU  52  19.999   0.829  21.276
  373   3HD2  LEU  52          3HD2      LEU  52  19.017   2.232  20.881
  374    NH1  ARG  53           NH1      ARG  53  15.730   2.963  24.566
  375    NH2  ARG  53           NH2      ARG  53  17.238   1.304  24.138
  376    H    ARG  53           H        ARG  53  16.402  -1.728  20.296
  377    HA   ARG  53           HA       ARG  53  14.509  -1.566  21.651
  378   1HB   ARG  53          1HB       ARG  53  15.712   0.825  21.931
  379   2HB   ARG  53          2HB       ARG  53  14.287   1.381  21.061
  380   1HG   ARG  53          1HG       ARG  53  13.589   1.491  23.308
  381   2HG   ARG  53          2HG       ARG  53  12.954  -0.064  22.783
  382   1HD   ARG  53          1HD       ARG  53  14.046  -0.892  24.605
  383   2HD   ARG  53          2HD       ARG  53  15.495  -0.749  23.613
  384    HE   ARG  53           HE       ARG  53  14.932   0.825  25.936
  385   1HH1  ARG  53          1HH1      ARG  53  14.826   3.236  24.895
  386   2HH1  ARG  53          2HH1      ARG  53  16.374   3.656  24.238
  387   1HH2  ARG  53          1HH2      ARG  53  17.469   0.331  24.147
  388   2HH2  ARG  53          2HH2      ARG  53  17.903   1.973  23.803
   
   
  No H/Q in entry =         388