*HEADER   GROWTH FACTOR                           24-MAR-92   1EPH    
*COMPND   EPIDERMAL GROWTH FACTOR (EGF) IN PH 2 SOLUTION (NMR,        
*COMPND  2 10 STRUCTURES)                                             
*SOURCE   MOUSE (MUS MUSCULUS) ADULT MALE SUBMAXILLARY GLAND          
*AUTHOR   D.KOHDA,F.INAGAKI                                           
*REVDAT  1   31-JAN-94 1EPH    0                                      

The distance constraints and torsion angle constraints to determine the
three-dimensional structure of mouse EGF at pH2.0

Distance constraints:

remarks   mEGF  pH2.1 80ms                             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   1 and name HA  )(resid   2 and name HN  )  2.6 0.8 0.9
assign (resid   1 and name HB# )(resid   2 and name HN  )  2.9 1.1 1.1
assign (resid   2 and name HN  )(resid   2 and name HA  )  2.1 0.3 0.4
assign (resid   2 and name HN  )(resid   2 and name HB# )  2.9 1.1 1.1
assign (resid   2 and name HA  )(resid   3 and name HN  )  2.6 0.8 0.9
assign (resid   2 and name HB# )(resid   3 and name HN  )  2.9 1.1 1.1
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  )  2.1 0.3 0.4
assign (resid   3 and name HN  )(resid   3 and name HB# )  2.6 0.8 0.9
assign (resid   3 and name HN  )(resid   3 and name HD# )  2.9 1.1 1.1
assign (resid   3 and name HN  )(resid   4 and name HD# )  2.9 1.1 1.1
assign (resid   3 and name HA  )(resid   4 and name HD# )  2.4 0.6 0.6
!   relaxed by 0.5 A
assign (resid   3 and name HB# )(resid   4 and name HD# )  2.9 1.1 1.6
assign (resid   3 and name HD# )(resid   4 and name HD# )  2.9 1.1 1.1
assign (resid   3 and name HB# )(resid  22 and name HE1 )  2.9 1.1 1.1
assign (resid   4 and name HA  )(resid   5 and name HN  )  2.4 0.6 0.6
assign (resid   4 and name HB# )(resid   5 and name HN  )  2.9 1.1 1.1
assign (resid   5 and name HN  )(resid   5 and name HA# )  2.4 0.6 0.6
assign (resid   5 and name HA# )(resid   6 and name HN  )  2.6 0.8 0.9
assign (resid   5 and name HN  )(resid  21 and name HA  )  2.9 1.1 1.1
assign (resid   6 and name HN  )(resid   6 and name HA  )  2.4 0.6 0.6
assign (resid   6 and name HN  )(resid   6 and name HB# )  2.6 0.8 0.9
!   relaxed by 0.5 A
assign (resid   6 and name HN  )(resid   7 and name HD# )  2.9 1.1 1.6
assign (resid   6 and name HA  )(resid   7 and name HD# )  2.6 0.8 0.9
assign (resid   6 and name HB# )(resid   7 and name HD# )  2.9 1.1 1.1
assign (resid   6 and name HB# )(resid  10 and name HB# )  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 HB# )(resid  10 and name HE# )  2.9 1.1 1.1
assign (resid   6 and name HB# )(resid  20 and name HB# )  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 HN  )  2.1 0.3 0.4
assign (resid   7 and name HB# )(resid   8 and name HN  )  2.9 1.1 1.1
assign (resid   7 and name HA  )(resid   9 and name HN  )  2.9 1.1 1.1
assign (resid   7 and name HB# )(resid   9 and name HN  )  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 HB# )(resid  10 and name HE# )  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  10 and name HE# )  2.9 1.1 1.1
assign (resid   7 and name HD# )(resid  22 and name HE1 )  2.9 1.1 1.1
assign (resid   7 and name HG# )(resid  29 and name HD# )  2.9 1.1 1.1
assign (resid   7 and name HD# )(resid  29 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   8 and name HN  )(resid   8 and name HB# )  2.4 0.6 0.6
assign (resid   8 and name HN  )(resid   9 and name HN  )  2.6 0.8 0.9
assign (resid   8 and name HA  )(resid   9 and name HN  )  2.9 1.1 1.1
assign (resid   8 and name HB# )(resid   9 and name HN  )  2.9 1.1 1.1
assign (resid   8 and name HA  )(resid  11 and name HN  )  2.9 1.1 1.1
assign (resid   8 and name HB# )(resid  11 and name HB# )  2.9 1.1 1.1
assign (resid   9 and name HN  )(resid   9 and name HA  )  2.4 0.6 0.6
assign (resid   9 and name HN  )(resid   9 and name HB# )  2.4 0.6 0.6
!  relaxed by 0.2 A v6
assign (resid  10 and name HN  )(resid  10 and name HA  )  2.1 0.3 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# )  2.9 1.1 1.1
assign (resid  10 and name HN  )(resid  11 and name HN  )  2.9 1.1 1.1
assign (resid  10 and name HA  )(resid  11 and name HN  )  2.9 1.1 1.1
assign (resid  10 and name HB# )(resid  11 and name HN  )  2.9 1.1 1.1
assign (resid  10 and name HD# )(resid  13 and name HB# )  2.9 1.1 1.1
assign (resid  10 and name HD# )(resid  13 and name HD# )  2.6 0.8 0.9
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  )  2.4 0.6 0.6
assign (resid  11 and name HN  )(resid  11 and name HB# )  2.1 0.3 0.4
assign (resid  11 and name HN  )(resid  12 and name HN  )  2.9 1.1 1.1
assign (resid  11 and name HA  )(resid  12 and name HN  )  2.4 0.6 0.6
assign (resid  11 and name HB# )(resid  12 and name HN  )  2.9 1.1 1.1
assign (resid  12 and name HN  )(resid  12 and name HA# )  2.4 0.6 0.6
assign (resid  12 and name HN  )(resid  13 and name HN  )  2.9 1.1 1.1
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  )  2.4 0.6 0.6
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  )  2.9 1.1 1.1
assign (resid  13 and name HB# )(resid  14 and name HN  )  2.9 1.1 1.1
assign (resid  13 and name HD# )(resid  14 and name HN  )  2.9 1.1 1.1
assign (resid  13 and name HE# )(resid  30 and name HA  )  2.9 1.1 1.1
assign (resid  13 and name HA  )(resid  41 and name HE# )  2.9 1.1 1.1
assign (resid  13 and name HA  )(resid  41 and name HH# )  2.9 1.1 1.1
assign (resid  13 and name HD# )(resid  41 and name HG# )  2.9 1.1 1.1
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# )  2.9 1.1 1.1
assign (resid  14 and name HN  )(resid  14 and name HB# )  2.9 1.1 1.1
assign (resid  14 and name HA  )(resid  15 and name HN  )  2.4 0.6 0.6
assign (resid  14 and name HB# )(resid  15 and name HN  )  2.9 1.1 1.1
assign (resid  14 and name HB# )(resid  18 and name HA# )  2.9 1.1 1.1
assign (resid  14 and name HB# )(resid  18 and name HN  )  2.9 1.1 1.1
assign (resid  14 and name HB# )(resid  20 and name HB# )  2.9 1.1 1.1
assign (resid  14 and name HA  )(resid  41 and name HD# )  2.6 0.8 0.9
assign (resid  15 and name HN  )(resid  15 and name HA  )  2.4 0.6 0.6
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 HG  )  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  )  2.4 0.6 0.6
assign (resid  15 and name HB# )(resid  16 and name HN  )  2.6 0.8 0.9
assign (resid  15 and name HB# )(resid  16 and name HD# )  2.9 1.1 1.1
assign (resid  15 and name HG  )(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 HB# )  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  41 and name HH# )  2.9 1.1 1.6
assign (resid  15 and name HN  )(resid  42 and name HB# )  2.9 1.1 1.1
assign (resid  15 and name HB# )(resid  42 and name HB# )  2.9 1.1 1.1
!   relaxed by 0.5 A
assign (resid  15 and name HA  )(resid  43 and name HA  )  2.9 1.1 1.6
assign (resid  15 and name HB# )(resid  43 and name HA  )  2.9 1.1 1.1
assign (resid  15 and name HG  )(resid  43 and name HA  )  2.9 1.1 1.1
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  )  2.1 0.3 0.4
assign (resid  16 and name HN  )(resid  16 and name HB# )  2.9 1.1 1.1
assign (resid  16 and name HN  )(resid  17 and name HN  )  2.9 1.1 1.1
!   relaxed by 0.5 A
assign (resid  16 and name HA  )(resid  37 and name HD# )  2.9 1.1 1.6
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  43 and name HA  )  2.6 0.8 0.9
assign (resid  16 and name HD# )(resid  43 and name HB# )  2.9 1.1 1.1
assign (resid  17 and name HN  )(resid  17 and name HA# )  2.4 0.6 0.6
assign (resid  17 and name HN  )(resid  18 and name HN  )  2.6 0.8 0.9
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 HA# )(resid  19 and name HN  )  2.6 0.8 0.9
assign (resid  18 and name HA# )(resid  33 and name HA  )  2.9 1.1 1.1
! relaxed by 0.2A 
assign (resid  19 and name HN  )(resid  19 and name HA  )  2.1 0.3 0.6
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* )  2.6 0.8 1.4
assign (resid  19 and name HA  )(resid  20 and name HN  )  2.1 0.3 0.4
assign (resid  19 and name HB  )(resid  20 and name HN  )  2.9 1.1 1.1
assign (resid  19 and name HG* )(resid  20 and name HN  )  2.6 0.8 1.4
assign (resid  19 and name HN  )(resid  32 and name HN  )  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  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  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 HG# )(resid  22 and name HN  )  2.9 1.1 1.1
assign (resid  21 and name HE# )(resid  22 and name HN  )  2.9 1.1 1.6
assign (resid  21 and name HN  )(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
!   relaxed by 0.5 A
assign (resid  21 and name HG# )(resid  32 and name HB# )  2.9 1.1 1.6
assign (resid  22 and name HN  )(resid  22 and name HA  )  2.4 0.6 0.6
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 HD2 )(resid  23 and name HN  )  2.9 1.1 1.1
assign (resid  22 and name HE1 )(resid  24 and name HA  )  2.9 1.1 1.1
assign (resid  22 and name HE1 )(resid  24 and name HG# )  2.9 1.1 1.1
assign (resid  22 and name HD2 )(resid  24 and name HA  )  2.9 1.1 1.1
assign (resid  22 and name HE1 )(resid  27 and name HA  )  2.9 1.1 1.1
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# )  2.6 0.8 0.9
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# )  2.6 0.8 0.9
assign (resid  22 and name HE1 )(resid  29 and name HE# )  2.9 1.1 1.1
assign (resid  22 and name HD2 )(resid  29 and name HA  )  2.9 1.1 1.1
assign (resid  22 and name HA  )(resid  30 and name HN  )  2.9 1.1 1.1
! relaxed by 0.2A 
assign (resid  23 and name HN  )(resid  23 and name HA  )  2.1 0.3 0.6
assign (resid  23 and name HN  )(resid  23 and name HB  )  2.6 0.8 0.9
assign (resid  23 and name HN  )(resid  23 and name HG1#)  2.9 1.1 1.1
assign (resid  23 and name HN  )(resid  23 and name HG2#)  2.9 1.1 1.6
assign (resid  23 and name HA  )(resid  24 and name HN  )  2.1 0.3 0.4
assign (resid  23 and name HB  )(resid  24 and name HN  )  2.9 1.1 1.1
assign (resid  23 and name HG2#)(resid  24 and name HN  )  2.6 0.8 1.4
assign (resid  23 and name HD# )(resid  30 and name HG2#)  2.9 1.1 2.1
assign (resid  24 and name HN  )(resid  24 and name HB# )  2.6 0.8 0.9
assign (resid  24 and name HN  )(resid  24 and name HG# )  2.9 1.1 1.1
assign (resid  24 and name HA  )(resid  27 and name HN  )  2.9 1.1 1.1
assign (resid  24 and name HA  )(resid  27 and name HA  )  2.9 1.1 1.1
! relaxed by 0.2A
assign (resid  25 and name HN  )(resid  25 and name HA  )  2.1 0.3 0.6
assign (resid  25 and name HN  )(resid  25 and name HB# )  2.6 0.8 0.9
assign (resid  25 and name HN  )(resid  26 and name HN  )  2.6 0.8 0.9
! relaxed by 0.2A
assign (resid  26 and name HN  )(resid  26 and name HA  )  2.1 0.3 0.6
assign (resid  26 and name HN  )(resid  26 and name HB# )  2.9 1.1 1.1
assign (resid  26 and name HN  )(resid  26 and name HG  )  2.9 1.1 1.1
assign (resid  26 and name HN  )(resid  26 and name HD* )  2.6 0.8 1.4
assign (resid  26 and name HN  )(resid  27 and name HN  )  2.6 0.8 0.9
assign (resid  26 and name HA  )(resid  27 and name HN  )  2.9 1.1 1.1
assign (resid  26 and name HB# )(resid  27 and name HN  )  2.9 1.1 1.1
assign (resid  27 and name HN  )(resid  27 and name HA  )  2.1 0.3 0.4
assign (resid  27 and name HN  )(resid  27 and name HB# )  2.9 1.1 1.1
assign (resid  27 and name HA  )(resid  28 and name HN  )  2.6 0.8 0.9
! relaxed by 0.2A
assign (resid  28 and name HN  )(resid  28 and name HA  )  2.1 0.3 0.6
assign (resid  28 and name HN  )(resid  28 and name HB# )  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  28 and name HA  )(resid  29 and name HD# )  2.9 1.1 1.1
assign (resid  28 and name HA  )(resid  29 and name HE# )  2.9 1.1 1.1
assign (resid  28 and name HB# )(resid  29 and name HN  )  2.9 1.1 1.1
assign (resid  29 and name HN  )(resid  29 and name HA  )  2.4 0.6 0.6
assign (resid  29 and name HN  )(resid  29 and name HB# )  2.9 1.1 1.1
assign (resid  29 and name HN  )(resid  29 and name HD# )  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  29 and name HD# )(resid  30 and name HN  )  2.9 1.1 1.1
assign (resid  30 and name HN  )(resid  30 and name HA  )  2.4 0.6 0.6
assign (resid  30 and name HN  )(resid  30 and name HG2#)  2.9 1.1 1.6
assign (resid  30 and name HN  )(resid  31 and name HN  )  2.9 1.1 1.1
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  )  2.4 0.6 0.6
assign (resid  31 and name HN  )(resid  31 and name HB# )  2.9 1.1 1.1
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  )  2.6 0.8 0.9
assign (resid  32 and name HN  )(resid  32 and name HB# )  2.9 1.1 1.1
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 HA  )(resid  34 and name HN  )  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  33 and name HB# )(resid  37 and name HA  )  2.9 1.1 1.1
assign (resid  33 and name HB# )(resid  37 and name HB# )  2.9 1.1 1.1
assign (resid  34 and name HN  )(resid  34 and name HA  )  2.4 0.6 0.6
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  )  2.9 1.1 1.1
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# )  2.9 1.1 1.1
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# )  2.6 0.8 1.4
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 HG1#)  2.9 1.1 1.1
assign (resid  35 and name HN  )(resid  35 and name HG2#)  2.6 0.8 1.4
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 HA  )(resid  37 and name HN  )  2.9 1.1 1.1
assign (resid  35 and name HG1#)(resid  49 and name HN  )  2.9 1.1 1.1
!   relaxed by 0.5 A
assign (resid  35 and name HG2#)(resid  49 and name HZ2 )  2.9 1.1 2.1
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 HB# )  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  50 and name HN  )  2.9 1.1 1.1
! relaxed by 0.2A
assign (resid  37 and name HN  )(resid  37 and name HA  )  2.1 0.3 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# )  2.9 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 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
assign (resid  37 and name HE# )(resid  45 and name HA  )  2.6 0.8 0.9
assign (resid  37 and name HE# )(resid  45 and name HB# )  2.9 1.1 1.1
assign (resid  37 and name HE# )(resid  45 and name HG# )  2.4 0.6 0.6
assign (resid  37 and name HE# )(resid  45 and name HD# )  2.9 1.1 1.1
assign (resid  37 and name HA  )(resid  46 and name HN  )  2.9 1.1 1.1
assign (resid  37 and name HD# )(resid  49 and name HB# )  2.9 1.1 1.1
assign (resid  37 and name HE# )(resid  49 and name HB# )  2.9 1.1 1.1
assign (resid  37 and name HE# )(resid  49 and name HZ2 )  2.6 0.8 0.9
assign (resid  38 and name HN  )(resid  38 and name HA  )  2.9 1.1 1.1
assign (resid  38 and name HB# )(resid  39 and name HN  )  2.6 0.8 0.9
assign (resid  38 and name HA  )(resid  42 and name HA  )  2.9 1.1 1.1
assign (resid  38 and name HN  )(resid  44 and name HN  )  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  )  2.6 0.8 0.9
assign (resid  40 and name HN  )(resid  40 and name HA  )  2.6 0.8 0.9
assign (resid  40 and name HN  )(resid  40 and name HB# )  2.4 0.6 0.6
assign (resid  40 and name HN  )(resid  41 and name HN  )  2.9 1.1 1.1
assign (resid  40 and name HB# )(resid  42 and name HN  )  2.9 1.1 1.1
assign (resid  40 and name HN  )(resid  43 and name HE# )  2.9 1.1 1.1
assign (resid  41 and name HN  )(resid  41 and name HA  )  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  )  2.9 1.1 1.1
assign (resid  41 and name HG# )(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  41 and name HN  )(resid  43 and name HE# )  2.9 1.1 1.1
! relaxed by 0.2 A
assign (resid  42 and name HN  )(resid  42 and name HA  )  2.1 0.3 0.6
assign (resid  42 and name HN  )(resid  43 and name HN  )  2.9 1.1 1.1
assign (resid  42 and name HA  )(resid  43 and name HN  )  2.9 1.1 1.1
assign (resid  42 and name HB# )(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  43 and name HG# )  2.9 1.1 1.1
assign (resid  43 and name HN  )(resid  44 and name HN  )  2.9 1.1 1.1
! relaxed by 0.2 A
assign (resid  44 and name HN  )(resid  44 and name HA  )  2.1 0.3 0.6
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  )  2.1 0.3 0.4
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  )  2.4 0.6 0.6
assign (resid  45 and name HN  )(resid  45 and name HB# )  2.6 0.8 0.9
assign (resid  45 and name HN  )(resid  45 and name HG# )  2.9 1.1 1.1
assign (resid  45 and name HA  )(resid  46 and name HN  )  2.4 0.6 0.6
assign (resid  45 and name HG# )(resid  46 and name HN  )  2.9 1.1 1.1
! relaxed by 0.5 A
assign (resid  45 and name HA  )(resid  50 and name HE1 )  2.9 1.1 1.6
assign (resid  45 and name HG# )(resid  50 and name HD1 )  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# )  2.6 0.8 0.9
assign (resid  46 and name HA  )(resid  47 and name HN  )  2.4 0.6 0.6
assign (resid  46 and name HB# )(resid  47 and name HN  )  2.9 1.1 1.1
assign (resid  47 and name HN  )(resid  47 and name HB# )  2.6 0.8 0.9
assign (resid  47 and name HN  )(resid  47 and name HG  )  2.1 0.3 0.4
assign (resid  47 and name HN  )(resid  47 and name HD* )  2.9 1.1 1.6
!  HD1 -> HZ3 
assign (resid  47 and name HA  )(resid  50 and name HZ3 )  2.9 1.1 1.1
assign (resid  48 and name HN  )(resid  48 and name HA  )  2.1 0.3 0.4
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# )  2.6 0.8 0.9
assign (resid  48 and name HN  )(resid  49 and name HN  )  2.6 0.8 0.9
assign (resid  48 and name HA  )(resid  49 and name HN  )  2.4 0.6 0.6
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  49 and name HN  )(resid  49 and name HA  )  2.1 0.3 0.4
assign (resid  49 and name HN  )(resid  49 and name HB# )  2.4 0.6 0.6
assign (resid  49 and name HN  )(resid  50 and name HN  )  2.9 1.1 1.1
assign (resid  49 and name HA  )(resid  50 and name HN  )  2.4 0.6 0.6
assign (resid  49 and name HB# )(resid  50 and name HN  )  2.9 1.1 1.1
!   HZ3 -> HD1 
assign (resid  49 and name HE1 )(resid  50 and name HD1 )  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  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  )  2.6 0.8 0.9
assign (resid  50 and name HB# )(resid  51 and name HN  )  2.9 1.1 1.1
assign (resid  51 and name HN  )(resid  51 and name HA  )  2.1 0.3 0.4
assign (resid  51 and name HN  )(resid  51 and name HB# )  2.6 0.8 0.9
assign (resid  51 and name HN  )(resid  51 and name HG# )  2.9 1.1 1.1
assign (resid  52 and name HN  )(resid  52 and name HA  )  2.1 0.3 0.4
assign (resid  52 and name HN  )(resid  52 and name HD* )  2.9 1.1 1.6
assign (resid  52 and name HB# )(resid  53 and name HN  )  2.9 1.1 1.1
assign (resid  53 and name HN  )(resid  53 and name HA  )  2.1 0.3 0.4
assign (resid  53 and name HN  )(resid  53 and name HG# )  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



----------------------------------------------------------------------------

Torsion angle constraints:

! mEGF phi from DQF-COSY (H2O)                                  1-MAR-92 
 assign (resid  14 and name c) (resid  15 and name n) (resid  15 and name ca)
 (resid  15 and name c)    1.0 -120.0   20.0 2
 assign (resid  36 and name c) (resid  37 and name n) (resid  37 and name ca)
 (resid  37 and name c)    1.0 -120.0   20.0 2
 assign (resid   5 and name c) (resid   6 and name n) (resid   6 and name ca)
 (resid   6 and name c)    1.0 -120.0   40.0 2
 assign (resid   9 and name c) (resid  10 and name n) (resid  10 and name ca)
 (resid  10 and name c)    1.0 -120.0   40.0 2
 assign (resid  13 and name c) (resid  14 and name n) (resid  14 and name ca)
 (resid  14 and name c)    1.0 -120.0   40.0 2
 assign (resid  18 and name c) (resid  19 and name n) (resid  19 and name ca)
 (resid  19 and name c)    1.0 -120.0   40.0 2
 assign (resid  19 and name c) (resid  20 and name n) (resid  20 and name ca)
 (resid  20 and name c)    1.0 -120.0   40.0 2
 assign (resid  20 and name c) (resid  21 and name n) (resid  21 and name ca)
 (resid  21 and name c)    1.0 -120.0   40.0 2
 assign (resid  21 and name c) (resid  22 and name n) (resid  22 and name ca)
 (resid  22 and name c)    1.0 -120.0   40.0 2
 assign (resid  22 and name c) (resid  23 and name n) (resid  23 and name ca)
 (resid  23 and name c)    1.0 -120.0   40.0 2
 assign (resid  25 and name c) (resid  26 and name n) (resid  26 and name ca)
 (resid  26 and name c)    1.0 -120.0   40.0 2
 assign (resid  27 and name c) (resid  28 and name n) (resid  28 and name ca)
 (resid  28 and name c)    1.0 -120.0   40.0 2
 assign (resid  28 and name c) (resid  29 and name n) (resid  29 and name ca)
 (resid  29 and name c)    1.0 -120.0   40.0 2
 assign (resid  29 and name c) (resid  30 and name n) (resid  30 and name ca)
 (resid  30 and name c)    1.0 -120.0   40.0 2
 assign (resid  30 and name c) (resid  31 and name n) (resid  31 and name ca)
 (resid  31 and name c)    1.0 -120.0   40.0 2
 assign (resid  31 and name c) (resid  32 and name n) (resid  32 and name ca)
 (resid  32 and name c)    1.0 -120.0   40.0 2
 assign (resid  41 and name c) (resid  42 and name n) (resid  42 and name ca)
 (resid  42 and name c)    1.0 -120.0   40.0 2
 assign (resid  42 and name c) (resid  43 and name n) (resid  43 and name ca)
 (resid  43 and name c)    1.0 -120.0   40.0 2
 assign (resid  43 and name c) (resid  44 and name n) (resid  44 and name ca)
 (resid  44 and name c)    1.0 -120.0   40.0 2
 assign (resid   7 and name c) (resid   8 and name n) (resid   8 and name ca)
 (resid   8 and name c)    1.0  -65.0   25.0 2
 assign (resid  23 and name c) (resid  24 and name n) (resid  24 and name ca)
 (resid  24 and name c)    1.0  -65.0   25.0 2
 assign (resid  34 and name c) (resid  35 and name n) (resid  35 and name ca)
 (resid  35 and name c)    1.0  -65.0   25.0 2
 assign (resid  46 and name c) (resid  47 and name n) (resid  47 and name ca)
 (resid  47 and name c)    1.0  -65.0   25.0 2
 assign (resid  48 and name c) (resid  49 and name n) (resid  49 and name ca)
 (resid  49 and name c)    1.0  -65.0   25.0 2



  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          2H        ASN   1  -4.888   1.953   0.353
    2   2H    ASN   1          3H        ASN   1  -6.382   2.610   0.824
    3   3H    ASN   1          1H        ASN   1  -5.402   3.440  -0.287
    4    HA   ASN   1           HA       ASN   1  -4.046   4.277   1.268
    5   1HB   ASN   1          1HB       ASN   1  -6.411   3.482   3.031
    6   2HB   ASN   1          2HB       ASN   1  -5.302   4.817   3.327
    7   1HD2  ASN   1          2HD2      ASN   1  -8.072   6.539   1.750
    8   2HD2  ASN   1          1HD2      ASN   1  -7.564   5.967   3.265
    9    H    SER   2           H        SER   2  -5.350   1.173   2.267
   10    HA   SER   2           HA       SER   2  -4.291  -0.605   3.368
   11   1HB   SER   2          1HB       SER   2  -1.975  -0.753   3.073
   12   2HB   SER   2          2HB       SER   2  -2.237   0.653   2.023
   13    HG   SER   2           HG       SER   2  -0.952   1.563   3.449
   14    OH   TYR   3           OH       TYR   3  -8.923   6.325   7.866
   15    H    TYR   3           H        TYR   3  -4.214   2.605   4.581
   16    HA   TYR   3           HA       TYR   3  -4.011   3.450   6.762
   17   1HB   TYR   3          1HB       TYR   3  -5.838   1.155   6.686
   18   2HB   TYR   3          2HB       TYR   3  -5.209   1.481   8.298
   19    HD1  TYR   3           HD1      TYR   3  -5.193   4.027   8.997
   20    HD2  TYR   3           HD2      TYR   3  -7.678   2.417   5.948
   21    HE1  TYR   3           HE1      TYR   3  -6.715   5.932   9.236
   22    HE2  TYR   3           HE2      TYR   3  -9.208   4.319   6.190
   23    HH   TYR   3           HH       TYR   3  -8.967   6.553   8.799
   24    HA   PRO   4           HA       PRO   4  -0.345   0.941   7.971
   25   1HB   PRO   4          1HB       PRO   4   0.657   3.317   9.327
   26   2HB   PRO   4          2HB       PRO   4   1.314   2.532   7.890
   27   1HG   PRO   4          1HG       PRO   4  -0.056   5.034   7.994
   28   2HG   PRO   4          2HG       PRO   4   0.441   4.163   6.543
   29   1HD   PRO   4          2HD       PRO   4  -2.240   4.480   7.659
   30   2HD   PRO   4          1HD       PRO   4  -1.780   3.801   6.085
   31    H    GLY   5           H        GLY   5   0.306   0.172  10.026
   32   1HA   GLY   5          1HA       GLY   5   0.204   0.039  12.422
   33   2HA   GLY   5          2HA       GLY   5  -1.057   1.272  12.410
   34    H    CYS   6           H        CYS   6  -2.300  -0.149  13.821
   35    HA   CYS   6           HA       CYS   6  -3.991  -1.912  12.276
   36   1HB   CYS   6          1HB       CYS   6  -3.562  -3.814  13.959
   37   2HB   CYS   6          2HB       CYS   6  -2.269  -3.489  12.835
   38    HA   PRO   7           HA       PRO   7  -7.252  -0.620  14.956
   39   1HB   PRO   7          1HB       PRO   7  -7.550  -3.514  15.747
   40   2HB   PRO   7          2HB       PRO   7  -8.774  -2.414  15.094
   41   1HG   PRO   7          1HG       PRO   7  -7.394  -4.411  13.635
   42   2HG   PRO   7          2HG       PRO   7  -8.300  -3.070  12.923
   43   1HD   PRO   7          2HD       PRO   7  -5.460  -3.478  12.894
   44   2HD   PRO   7          1HD       PRO   7  -6.350  -2.103  12.204
   45    H    SER   8           H        SER   8  -6.620   0.386  16.800
   46    HA   SER   8           HA       SER   8  -4.572  -0.257  18.521
   47   1HB   SER   8          1HB       SER   8  -7.264   0.865  19.434
   48   2HB   SER   8          2HB       SER   8  -5.701   1.070  20.255
   49    HG   SER   8           HG       SER   8  -5.338   2.633  18.907
   50    H    SER   9           H        SER   9  -7.665  -1.850  18.380
   51    HA   SER   9           HA       SER   9  -7.840  -3.064  20.884
   52   1HB   SER   9          1HB       SER   9  -9.535  -3.597  19.209
   53   2HB   SER   9          2HB       SER   9  -8.312  -4.223  18.086
   54    HG   SER   9           HG       SER   9  -9.594  -5.590  19.886
   55    OH   TYR  10           OH       TYR  10  -5.371  -8.713  14.444
   56    H    TYR  10           H        TYR  10  -5.425  -3.310  18.561
   57    HA   TYR  10           HA       TYR  10  -4.274  -5.823  19.417
   58   1HB   TYR  10          1HB       TYR  10  -3.677  -3.651  17.417
   59   2HB   TYR  10          2HB       TYR  10  -2.352  -4.708  17.896
   60    HD1  TYR  10           HD2      TYR  10  -2.920  -7.218  17.918
   61    HD2  TYR  10           HD1      TYR  10  -5.155  -4.381  15.743
   62    HE1  TYR  10           HE2      TYR  10  -3.592  -8.985  16.378
   63    HE2  TYR  10           HE1      TYR  10  -5.973  -6.131  14.264
   64    HH   TYR  10           HH       TYR  10  -6.213  -8.424  14.083
   65    H    ASP  11           H        ASP  11  -2.684  -2.741  18.990
   66    HA   ASP  11           HA       ASP  11  -0.726  -1.998  20.110
   67   1HB   ASP  11          1HB       ASP  11  -3.102  -1.109  20.866
   68   2HB   ASP  11          2HB       ASP  11  -2.662  -1.889  22.388
   69    H    GLY  12           H        GLY  12  -0.732  -4.898  20.387
   70   1HA   GLY  12          1HA       GLY  12   1.052  -5.071  22.632
   71   2HA   GLY  12          2HA       GLY  12  -0.509  -5.713  23.094
   72    OH   TYR  13           OH       TYR  13   0.400 -10.899  13.822
   73    H    TYR  13           H        TYR  13  -0.661  -6.776  20.098
   74    HA   TYR  13           HA       TYR  13   0.558  -9.323  20.889
   75   1HB   TYR  13          1HB       TYR  13  -1.151 -10.112  19.648
   76   2HB   TYR  13          2HB       TYR  13  -1.521  -8.508  19.076
   77    HD1  TYR  13           HD1      TYR  13   0.558 -11.532  18.295
   78    HD2  TYR  13           HD2      TYR  13  -1.075  -7.884  16.835
   79    HE1  TYR  13           HE1      TYR  13   1.002 -12.240  16.001
   80    HE2  TYR  13           HE2      TYR  13  -0.772  -8.660  14.551
   81    HH   TYR  13           HH       TYR  13  -0.445 -11.123  13.425
   82    H    CYS  14           H        CYS  14   1.503  -6.776  18.612
   83    HA   CYS  14           HA       CYS  14   3.473  -8.538  17.383
   84   1HB   CYS  14          1HB       CYS  14   2.527  -5.899  16.947
   85   2HB   CYS  14          2HB       CYS  14   4.213  -5.701  17.361
   86    H    LEU  15           H        LEU  15   5.317  -9.188  18.216
   87    HA   LEU  15           HA       LEU  15   6.371  -7.918  20.652
   88   1HB   LEU  15          1HB       LEU  15   6.232 -10.594  19.490
   89   2HB   LEU  15          2HB       LEU  15   7.837 -10.208  20.103
   90    HG   LEU  15           HG       LEU  15   6.898  -9.537  22.229
   91   1HD1  LEU  15          1HD1      LEU  15   4.412  -9.582  20.685
   92   2HD1  LEU  15          2HD1      LEU  15   4.231 -10.416  22.215
   93   3HD1  LEU  15          3HD1      LEU  15   4.765  -8.741  22.186
   94   1HD2  LEU  15          3HD2      LEU  15   6.134 -12.240  21.150
   95   2HD2  LEU  15          1HD2      LEU  15   7.461 -11.795  22.225
   96   3HD2  LEU  15          2HD2      LEU  15   5.824 -11.829  22.841
   97    H    ASN  16           H        ASN  16   8.512  -7.680  21.012
   98    HA   ASN  16           HA       ASN  16  10.384  -6.301  20.377
   99   1HB   ASN  16          1HB       ASN  16  10.937  -8.904  18.986
  100   2HB   ASN  16          2HB       ASN  16  12.015  -7.916  19.967
  101   1HD2  ASN  16          2HD2      ASN  16  10.569 -10.754  22.005
  102   2HD2  ASN  16          1HD2      ASN  16  11.444 -10.684  20.540
  103    H    GLY  17           H        GLY  17  10.215  -4.681  19.017
  104   1HA   GLY  17          1HA       GLY  17  10.009  -3.513  16.982
  105   2HA   GLY  17          2HA       GLY  17  11.338  -4.572  16.530
  106    H    GLY  18           H        GLY  18   7.888  -5.263  17.112
  107   1HA   GLY  18          1HA       GLY  18   7.846  -6.643  14.478
  108   2HA   GLY  18          2HA       GLY  18   6.678  -6.888  15.771
  109    H    VAL  19           H        VAL  19   7.231  -5.322  12.848
  110    HA   VAL  19           HA       VAL  19   5.640  -2.975  13.322
  111    HB   VAL  19           HB       VAL  19   6.052  -4.319  10.637
  112   1HG1  VAL  19          1HG1      VAL  19   4.633  -2.120  11.212
  113   2HG1  VAL  19          2HG1      VAL  19   6.226  -1.375  11.133
  114   3HG1  VAL  19          3HG1      VAL  19   5.586  -2.235   9.736
  115   1HG2  VAL  19          2HG2      VAL  19   7.985  -2.599  12.223
  116   2HG2  VAL  19          3HG2      VAL  19   8.242  -4.265  11.715
  117   3HG2  VAL  19          1HG2      VAL  19   8.182  -2.976  10.515
  118    H    CYS  20           H        CYS  20   3.538  -2.879  13.524
  119    HA   CYS  20           HA       CYS  20   1.892  -5.240  12.983
  120   1HB   CYS  20          1HB       CYS  20   1.800  -3.348  14.882
  121   2HB   CYS  20          2HB       CYS  20   0.774  -2.552  13.721
  122    H    MET  21           H        MET  21   1.471  -5.578  10.870
  123    HA   MET  21           HA       MET  21   0.850  -3.254   9.151
  124   1HB   MET  21          1HB       MET  21   1.671  -6.076   8.740
  125   2HB   MET  21          2HB       MET  21   0.509  -5.479   7.559
  126   1HG   MET  21          1HG       MET  21   2.971  -3.949   8.352
  127   2HG   MET  21          2HG       MET  21   2.987  -5.104   7.051
  128   1HE   MET  21          2HE       MET  21   2.703  -4.618   4.780
  129   2HE   MET  21          3HE       MET  21   0.983  -4.866   5.086
  130   3HE   MET  21          1HE       MET  21   1.517  -3.502   4.104
  131    H    HIS  22           H        HIS  22  -0.976  -3.372   7.695
  132    HA   HIS  22           HA       HIS  22  -3.305  -4.933   8.692
  133   1HB   HIS  22          1HB       HIS  22  -3.520  -2.960  10.036
  134   2HB   HIS  22          2HB       HIS  22  -3.078  -1.903   8.698
  135    HD1  HIS  22           HD1      HIS  22  -5.451  -0.837   9.267
  136    HD2  HIS  22           HD2      HIS  22  -5.720  -4.602   7.744
  137    HE1  HIS  22           HE1      HIS  22  -7.802  -1.181   8.740
  138    H    ILE  23           H        ILE  23  -3.968  -5.869   6.849
  139    HA   ILE  23           HA       ILE  23  -3.778  -4.460   4.317
  140    HB   ILE  23           HB       ILE  23  -5.238  -7.076   4.854
  141   1HG1  ILE  23          1HG1      ILE  23  -2.927  -7.149   5.880
  142   2HG1  ILE  23          2HG1      ILE  23  -3.229  -8.354   4.644
  143   1HG2  ILE  23          1HG2      ILE  23  -4.239  -5.629   2.452
  144   2HG2  ILE  23          2HG2      ILE  23  -3.872  -7.348   2.462
  145   3HG2  ILE  23          3HG2      ILE  23  -5.536  -6.803   2.592
  146   1HD1  ILE  23          1HD1      ILE  23  -2.132  -5.860   3.532
  147   2HD1  ILE  23          2HD1      ILE  23  -1.058  -6.634   4.693
  148   3HD1  ILE  23          3HD1      ILE  23  -1.622  -7.524   3.286
  149    H    GLU  24           H        GLU  24  -5.424  -3.271   3.473
  150    HA   GLU  24           HA       GLU  24  -7.876  -3.003   5.036
  151   1HB   GLU  24          1HB       GLU  24  -6.480  -1.515   2.992
  152   2HB   GLU  24          2HB       GLU  24  -8.142  -1.758   2.462
  153   1HG   GLU  24          1HG       GLU  24  -8.971  -0.892   4.620
  154   2HG   GLU  24          2HG       GLU  24  -7.313  -0.676   5.177
  155    H    SER  25           H        SER  25  -9.968  -2.820   3.606
  156    HA   SER  25           HA       SER  25 -11.592  -3.883   2.294
  157   1HB   SER  25          1HB       SER  25  -9.382  -4.173   0.748
  158   2HB   SER  25          2HB       SER  25  -9.617  -5.875   1.193
  159    HG   SER  25           HG       SER  25 -10.882  -5.152  -0.651
  160    H    LEU  26           H        LEU  26  -9.190  -6.357   3.070
  161    HA   LEU  26           HA       LEU  26 -11.254  -8.096   4.067
  162   1HB   LEU  26          1HB       LEU  26  -8.357  -8.277   3.394
  163   2HB   LEU  26          2HB       LEU  26  -8.846  -9.290   4.745
  164    HG   LEU  26           HG       LEU  26 -10.760 -10.105   3.183
  165   1HD1  LEU  26          2HD1      LEU  26 -10.364  -8.272   1.496
  166   2HD1  LEU  26          3HD1      LEU  26  -8.813  -9.020   1.122
  167   3HD1  LEU  26          1HD1      LEU  26 -10.310  -9.888   0.797
  168   1HD2  LEU  26          1HD2      LEU  26  -7.851 -10.752   3.124
  169   2HD2  LEU  26          2HD2      LEU  26  -9.216 -11.768   3.577
  170   3HD2  LEU  26          3HD2      LEU  26  -8.856 -11.483   1.877
  171    H    ASP  27           H        ASP  27  -9.783  -5.504   5.199
  172    HA   ASP  27           HA       ASP  27  -9.034  -4.746   7.297
  173   1HB   ASP  27          1HB       ASP  27 -10.989  -5.409   9.022
  174   2HB   ASP  27          2HB       ASP  27 -11.297  -4.296   7.697
  175    H    SER  28           H        SER  28  -7.924  -7.348   6.622
  176    HA   SER  28           HA       SER  28  -7.983  -8.869   9.097
  177   1HB   SER  28          1HB       SER  28  -7.682  -9.941   6.793
  178   2HB   SER  28          2HB       SER  28  -6.075  -9.194   6.730
  179    HG   SER  28           HG       SER  28  -6.695 -10.434   9.110
  180    OH   TYR  29           OH       TYR  29  -8.861  -4.170  10.917
  181    H    TYR  29           H        TYR  29  -5.464  -9.609   9.670
  182    HA   TYR  29           HA       TYR  29  -3.799  -7.166   9.785
  183   1HB   TYR  29          1HB       TYR  29  -4.843  -8.615  12.248
  184   2HB   TYR  29          2HB       TYR  29  -3.707  -7.263  12.277
  185    HD1  TYR  29           HD2      TYR  29  -4.457  -5.146  11.001
  186    HD2  TYR  29           HD1      TYR  29  -7.170  -8.120  12.312
  187    HE1  TYR  29           HE2      TYR  29  -6.308  -3.652  10.553
  188    HE2  TYR  29           HE1      TYR  29  -9.047  -6.634  11.829
  189    HH   TYR  29           HH       TYR  29  -9.618  -4.699  10.655
  190    H    THR  30           H        THR  30  -1.667  -7.501  10.570
  191    HA   THR  30           HA       THR  30  -0.754 -10.179  11.217
  192    HB   THR  30           HB       THR  30  -0.991 -10.215   8.656
  193    HG1  THR  30           HG1      THR  30   0.904 -11.249   8.586
  194   1HG2  THR  30          2HG2      THR  30  -0.153  -7.664   8.600
  195   2HG2  THR  30          3HG2      THR  30   1.445  -8.396   8.690
  196   3HG2  THR  30          1HG2      THR  30   0.387  -8.763   7.334
  197    H    CYS  31           H        CYS  31   1.851  -9.957  10.737
  198    HA   CYS  31           HA       CYS  31   2.786  -7.320  11.643
  199   1HB   CYS  31          1HB       CYS  31   2.615  -9.766  13.335
  200   2HB   CYS  31          2HB       CYS  31   4.125  -8.901  13.433
  201    H    ASN  32           H        ASN  32   5.258  -7.413  12.010
  202    HA   ASN  32           HA       ASN  32   6.580  -9.482  10.369
  203   1HB   ASN  32          1HB       ASN  32   5.796  -7.580   8.832
  204   2HB   ASN  32          2HB       ASN  32   6.887  -6.517   9.716
  205   1HD2  ASN  32          2HD2      ASN  32   9.845  -8.300   8.524
  206   2HD2  ASN  32          1HD2      ASN  32   9.221  -7.667   9.970
  207    H    CYS  33           H        CYS  33   8.525  -9.962  11.165
  208    HA   CYS  33           HA       CYS  33   9.559  -8.283  13.361
  209   1HB   CYS  33          1HB       CYS  33  10.867 -10.814  12.398
  210   2HB   CYS  33          2HB       CYS  33  10.747 -10.193  14.030
  211    H    VAL  34           H        VAL  34  12.349  -9.323  12.893
  212    HA   VAL  34           HA       VAL  34  13.166  -8.139  10.373
  213    HB   VAL  34           HB       VAL  34  14.516  -6.538  12.419
  214   1HG1  VAL  34          1HG1      VAL  34  14.538  -6.165   9.974
  215   2HG1  VAL  34          2HG1      VAL  34  12.814  -5.803  10.027
  216   3HG1  VAL  34          3HG1      VAL  34  13.962  -4.751  10.852
  217   1HG2  VAL  34          2HG2      VAL  34  12.092  -6.757  13.422
  218   2HG2  VAL  34          3HG2      VAL  34  12.788  -5.162  13.226
  219   3HG2  VAL  34          1HG2      VAL  34  11.624  -5.766  12.050
  220    H    ILE  35           H        ILE  35  15.662  -7.303  11.041
  221    HA   ILE  35           HA       ILE  35  17.140  -9.733  11.032
  222    HB   ILE  35           HB       ILE  35  17.867  -7.793   9.800
  223   1HG1  ILE  35          1HG1      ILE  35  19.846  -7.444  11.953
  224   2HG1  ILE  35          2HG1      ILE  35  19.583  -9.105  11.448
  225   1HG2  ILE  35          1HG2      ILE  35  17.443  -6.429  12.484
  226   2HG2  ILE  35          2HG2      ILE  35  18.514  -5.685  11.298
  227   3HG2  ILE  35          3HG2      ILE  35  16.824  -5.957  10.908
  228   1HD1  ILE  35          1HD1      ILE  35  20.013  -6.880   9.445
  229   2HD1  ILE  35          2HD1      ILE  35  21.362  -7.774  10.140
  230   3HD1  ILE  35          3HD1      ILE  35  20.149  -8.616   9.183
  231    H    GLY  36           H        GLY  36  15.890 -10.066  13.328
  232   1HA   GLY  36          1HA       GLY  36  17.536 -10.902  15.233
  233   2HA   GLY  36          2HA       GLY  36  17.628  -9.192  15.594
  234    OH   TYR  37           OH       TYR  37  14.600  -4.592  18.136
  235    H    TYR  37           H        TYR  37  14.855 -10.553  14.257
  236    HA   TYR  37           HA       TYR  37  13.462 -10.827  16.812
  237   1HB   TYR  37          1HB       TYR  37  12.598  -9.030  14.533
  238   2HB   TYR  37          2HB       TYR  37  11.655  -9.338  15.976
  239    HD1  TYR  37           HD2      TYR  37  13.083  -8.833  18.291
  240    HD2  TYR  37           HD1      TYR  37  13.964  -7.153  14.493
  241    HE1  TYR  37           HE2      TYR  37  13.916  -6.849  19.334
  242    HE2  TYR  37           HE1      TYR  37  14.535  -5.019  15.509
  243    HH   TYR  37           HH       TYR  37  14.901  -3.983  17.459
  244    H    SER  38           H        SER  38  12.664 -12.820  16.671
  245    HA   SER  38           HA       SER  38  11.061 -13.546  14.315
  246   1HB   SER  38          1HB       SER  38  12.451 -15.305  13.507
  247   2HB   SER  38          2HB       SER  38  13.669 -14.117  14.011
  248    HG   SER  38           HG       SER  38  13.913 -16.277  14.936
  249    H    GLY  39           H        GLY  39  11.131 -16.348  14.733
  250   1HA   GLY  39          1HA       GLY  39  10.468 -18.029  16.321
  251   2HA   GLY  39          2HA       GLY  39  10.290 -16.768  17.543
  252    H    ASP  40           H        ASP  40   8.132 -17.502  18.074
  253    HA   ASP  40           HA       ASP  40   6.004 -18.002  16.324
  254   1HB   ASP  40          1HB       ASP  40   6.042 -16.417  18.942
  255   2HB   ASP  40          2HB       ASP  40   4.551 -16.927  18.152
  256    NH1  ARG  41           NH2      ARG  41   4.419 -13.825  21.673
  257    NH2  ARG  41           NH1      ARG  41   2.421 -12.836  22.175
  258    H    ARG  41           H        ARG  41   5.478 -14.997  17.956
  259    HA   ARG  41           HA       ARG  41   4.768 -13.781  15.407
  260   1HB   ARG  41          1HB       ARG  41   5.254 -12.011  17.808
  261   2HB   ARG  41          2HB       ARG  41   3.908 -12.011  16.683
  262   1HG   ARG  41          1HG       ARG  41   3.022 -14.069  17.776
  263   2HG   ARG  41          2HG       ARG  41   4.356 -14.007  18.936
  264   1HD   ARG  41          1HD       ARG  41   2.769 -11.541  18.582
  265   2HD   ARG  41          2HD       ARG  41   1.952 -12.886  19.374
  266    HE   ARG  41           HE       ARG  41   4.155 -11.326  20.485
  267   1HH1  ARG  41          1HH2      ARG  41   5.224 -13.881  21.081
  268   2HH1  ARG  41          2HH2      ARG  41   4.332 -14.442  22.456
  269   1HH2  ARG  41          1HH1      ARG  41   1.726 -12.148  21.958
  270   2HH2  ARG  41          2HH1      ARG  41   2.298 -13.439  22.962
  271    H    CYS  42           H        CYS  42   7.004 -12.837  17.941
  272    HA   CYS  42           HA       CYS  42   9.342 -12.727  16.323
  273   1HB   CYS  42          1HB       CYS  42   8.192 -10.049  17.098
  274   2HB   CYS  42          2HB       CYS  42   9.658 -10.333  16.205
  275    H    GLN  43           H        GLN  43   8.349 -13.557  18.913
  276    HA   GLN  43           HA       GLN  43   9.333 -11.800  20.947
  277   1HB   GLN  43          1HB       GLN  43   8.832 -13.577  22.444
  278   2HB   GLN  43          2HB       GLN  43   7.756 -13.920  21.094
  279   1HG   GLN  43          1HG       GLN  43   9.748 -15.362  20.193
  280   2HG   GLN  43          2HG       GLN  43  10.344 -15.277  21.853
  281   1HE2  GLN  43          2HE2      GLN  43   6.951 -17.418  21.041
  282   2HE2  GLN  43          1HE2      GLN  43   7.545 -16.311  19.899
  283    H    THR  44           H        THR  44  11.049 -13.553  18.664
  284    HA   THR  44           HA       THR  44  13.239 -14.300  20.411
  285    HB   THR  44           HB       THR  44  13.247 -14.331  17.360
  286    HG1  THR  44           HG1      THR  44  12.610 -16.642  18.228
  287   1HG2  THR  44          2HG2      THR  44  15.150 -15.120  19.325
  288   2HG2  THR  44          3HG2      THR  44  14.315 -16.611  18.898
  289   3HG2  THR  44          1HG2      THR  44  15.126 -15.665  17.652
  290    NH1  ARG  45           NH2      ARG  45  16.025  -8.464  24.623
  291    NH2  ARG  45           NH1      ARG  45  15.958  -6.194  24.374
  292    H    ARG  45           H        ARG  45  13.690 -12.131  21.203
  293    HA   ARG  45           HA       ARG  45  15.048 -10.266  19.343
  294   1HB   ARG  45          1HB       ARG  45  13.419  -9.508  21.110
  295   2HB   ARG  45          2HB       ARG  45  14.470 -10.185  22.351
  296   1HG   ARG  45          1HG       ARG  45  16.188  -8.667  21.911
  297   2HG   ARG  45          2HG       ARG  45  15.563  -8.271  20.320
  298   1HD   ARG  45          1HD       ARG  45  15.027  -6.392  21.712
  299   2HD   ARG  45          2HD       ARG  45  13.527  -7.284  21.499
  300    HE   ARG  45           HE       ARG  45  13.542  -7.696  23.816
  301   1HH1  ARG  45          1HH2      ARG  45  15.624  -9.359  24.427
  302   2HH1  ARG  45          2HH2      ARG  45  16.847  -8.398  25.189
  303   1HH2  ARG  45          1HH1      ARG  45  15.508  -5.389  23.988
  304   2HH2  ARG  45          2HH1      ARG  45  16.778  -6.088  24.936
  305    H    ASP  46           H        ASP  46  16.921 -11.742  18.980
  306    HA   ASP  46           HA       ASP  46  18.635 -12.196  21.419
  307   1HB   ASP  46          1HB       ASP  46  17.811 -14.196  20.080
  308   2HB   ASP  46          2HB       ASP  46  18.803 -13.629  18.742
  309    H    LEU  47           H        LEU  47  21.029 -12.636  20.717
  310    HA   LEU  47           HA       LEU  47  22.275 -10.182  20.079
  311   1HB   LEU  47          1HB       LEU  47  23.186 -13.063  20.065
  312   2HB   LEU  47          2HB       LEU  47  24.289 -11.785  19.567
  313    HG   LEU  47           HG       LEU  47  22.761 -11.457  22.130
  314   1HD1  LEU  47          1HD1      LEU  47  25.057 -13.341  21.616
  315   2HD1  LEU  47          2HD1      LEU  47  24.905 -12.547  23.179
  316   3HD1  LEU  47          3HD1      LEU  47  23.619 -13.600  22.597
  317   1HD2  LEU  47          1HD2      LEU  47  24.462  -9.830  20.845
  318   2HD2  LEU  47          2HD2      LEU  47  24.419  -9.906  22.603
  319   3HD2  LEU  47          3HD2      LEU  47  25.650 -10.797  21.712
  320    NH1  ARG  48           NH1      ARG  48  21.466 -14.318  15.322
  321    NH2  ARG  48           NH2      ARG  48  19.820 -15.851  14.926
  322    H    ARG  48           H        ARG  48  20.908  -9.690  18.133
  323    HA   ARG  48           HA       ARG  48  22.452 -10.333  15.804
  324   1HB   ARG  48          1HB       ARG  48  19.773 -10.484  14.891
  325   2HB   ARG  48          2HB       ARG  48  20.930 -11.785  14.954
  326   1HG   ARG  48          1HG       ARG  48  20.217 -12.146  17.396
  327   2HG   ARG  48          2HG       ARG  48  18.883 -11.050  17.089
  328   1HD   ARG  48          1HD       ARG  48  17.804 -12.934  16.362
  329   2HD   ARG  48          2HD       ARG  48  18.829 -12.829  14.930
  330    HE   ARG  48           HE       ARG  48  19.364 -14.563  17.292
  331   1HH1  ARG  48          1HH1      ARG  48  21.777 -13.502  15.810
  332   2HH1  ARG  48          2HH1      ARG  48  22.071 -14.770  14.668
  333   1HH2  ARG  48          1HH2      ARG  48  18.898 -16.185  15.118
  334   2HH2  ARG  48          2HH2      ARG  48  20.398 -16.328  14.264
  335    CH2  TRP  49           CH2      TRP  49  17.211  -2.384  12.788
  336    H    TRP  49           H        TRP  49  19.326  -8.978  15.680
  337    HA   TRP  49           HA       TRP  49  19.775  -6.812  14.191
  338   1HB   TRP  49          1HB       TRP  49  17.494  -7.127  14.822
  339   2HB   TRP  49          2HB       TRP  49  17.918  -7.145  16.524
  340    HD1  TRP  49           HD1      TRP  49  16.654  -5.340  17.487
  341    HE1  TRP  49           HE1      TRP  49  15.617  -3.273  16.539
  342    HE3  TRP  49           HE3      TRP  49  19.343  -4.904  13.352
  343    HZ2  TRP  49           HZ2      TRP  49  15.604  -1.892  14.089
  344    HZ3  TRP  49           HZ3      TRP  49  18.788  -3.241  11.633
  345    HH2  TRP  49           HH2      TRP  49  16.993  -1.611  12.066
  346    CH2  TRP  50           CH2      TRP  50  20.451  -9.066  21.466
  347    H    TRP  50           H        TRP  50  19.268  -6.101  17.496
  348    HA   TRP  50           HA       TRP  50  20.722  -3.657  17.292
  349   1HB   TRP  50          1HB       TRP  50  20.934  -4.118  20.007
  350   2HB   TRP  50          2HB       TRP  50  19.490  -3.468  19.248
  351    HD1  TRP  50           HD1      TRP  50  17.299  -4.909  19.484
  352    HE1  TRP  50           HE1      TRP  50  16.918  -7.335  19.981
  353    HE3  TRP  50           HE3      TRP  50  21.907  -6.152  20.649
  354    HZ2  TRP  50           HZ2      TRP  50  18.433  -9.592  21.018
  355    HZ3  TRP  50           HZ3      TRP  50  22.439  -8.312  21.678
  356    HH2  TRP  50           HH2      TRP  50  20.681 -10.014  21.927
  357    H    GLU  51           H        GLU  51  21.802  -6.819  18.450
  358    HA   GLU  51           HA       GLU  51  23.967  -7.574  18.963
  359   1HB   GLU  51          1HB       GLU  51  23.912  -6.231  16.404
  360   2HB   GLU  51          2HB       GLU  51  25.475  -5.934  17.157
  361   1HG   GLU  51          1HG       GLU  51  24.213  -8.684  16.906
  362   2HG   GLU  51          2HG       GLU  51  25.411  -8.047  15.785
  363    H    LEU  52           H        LEU  52  22.998  -4.952  20.207
  364    HA   LEU  52           HA       LEU  52  23.836  -3.453  21.777
  365   1HB   LEU  52          1HB       LEU  52  25.629  -5.717  21.822
  366   2HB   LEU  52          2HB       LEU  52  26.610  -4.263  21.916
  367    HG   LEU  52           HG       LEU  52  24.966  -3.485  23.758
  368   1HD1  LEU  52          3HD1      LEU  52  23.228  -5.199  23.220
  369   2HD1  LEU  52          1HD1      LEU  52  24.353  -6.464  23.703
  370   3HD1  LEU  52          2HD1      LEU  52  23.761  -5.308  24.895
  371   1HD2  LEU  52          3HD2      LEU  52  26.778  -5.889  24.138
  372   2HD2  LEU  52          1HD2      LEU  52  27.232  -4.193  24.284
  373   3HD2  LEU  52          2HD2      LEU  52  26.137  -4.918  25.459
  374    NH1  ARG  53           NH2      ARG  53  24.127  -2.003  12.791
  375    NH2  ARG  53           NH1      ARG  53  22.678  -2.907  14.310
  376    H    ARG  53           H        ARG  53  24.958  -3.701  18.684
  377    HA   ARG  53           HA       ARG  53  27.141  -2.130  18.356
  378   1HB   ARG  53          1HB       ARG  53  24.671  -2.609  16.837
  379   2HB   ARG  53          2HB       ARG  53  25.353  -1.023  16.493
  380   1HG   ARG  53          1HG       ARG  53  27.574  -2.121  16.082
  381   2HG   ARG  53          2HG       ARG  53  26.802  -3.687  16.309
  382   1HD   ARG  53          1HD       ARG  53  26.081  -1.630  14.193
  383   2HD   ARG  53          2HD       ARG  53  26.918  -3.157  13.914
  384    HE   ARG  53           HE       ARG  53  24.766  -4.249  14.793
  385   1HH1  ARG  53          1HH2      ARG  53  25.064  -1.901  12.457
  386   2HH1  ARG  53                 ARG  53  23.376  -1.533  12.327
  387   1HH2  ARG  53          1HH1      ARG  53  22.530  -3.482  15.114
  388   2HH2  ARG  53          2HH1      ARG  53  21.902  -2.455  13.869
   
  Start of MODEL           2
 Raw file had 388 H/Q atoms
  Start of MODEL    2
    1   1H    ASN   1          2H        ASN   1  -4.625   1.327  -0.194
    2   2H    ASN   1          3H        ASN   1  -5.908   2.430  -0.325
    3   3H    ASN   1          1H        ASN   1  -4.319   2.997  -0.140
    4    HA   ASN   1           HA       ASN   1  -4.838   3.192   2.000
    5   1HB   ASN   1          1HB       ASN   1  -7.263   2.279   1.149
    6   2HB   ASN   1          2HB       ASN   1  -6.766   0.888   2.108
    7   1HD2  ASN   1          2HD2      ASN   1  -6.711   2.782   5.198
    8   2HD2  ASN   1          1HD2      ASN   1  -5.873   1.544   4.396
    9    H    SER   2           H        SER   2  -4.693   1.777   4.038
   10    HA   SER   2           HA       SER   2  -3.871  -0.856   4.068
   11   1HB   SER   2          1HB       SER   2  -1.932  -0.533   2.723
   12   2HB   SER   2          2HB       SER   2  -1.658   1.100   3.363
   13    HG   SER   2           HG       SER   2  -1.434  -1.361   4.764
   14    OH   TYR   3           OH       TYR   3  -8.453   5.627   9.285
   15    H    TYR   3           H        TYR   3  -3.924   2.255   5.374
   16    HA   TYR   3           HA       TYR   3  -3.609   3.092   7.536
   17   1HB   TYR   3          1HB       TYR   3  -5.256   0.682   7.548
   18   2HB   TYR   3          2HB       TYR   3  -4.482   0.961   9.110
   19    HD1  TYR   3           HD1      TYR   3  -4.530   3.465   9.943
   20    HD2  TYR   3           HD2      TYR   3  -7.230   1.866   7.074
   21    HE1  TYR   3           HE1      TYR   3  -6.111   5.271  10.430
   22    HE2  TYR   3           HE2      TYR   3  -8.812   3.678   7.553
   23    HH   TYR   3           HH       TYR   3  -8.580   6.123   8.472
   24    HA   PRO   4           HA       PRO   4   0.301   0.953   8.586
   25   1HB   PRO   4          1HB       PRO   4   1.232   3.325   9.923
   26   2HB   PRO   4          2HB       PRO   4   1.757   2.721   8.353
   27   1HG   PRO   4          1HG       PRO   4   0.128   5.046   8.899
   28   2HG   PRO   4          2HG       PRO   4   0.662   4.450   7.326
   29   1HD   PRO   4          2HD       PRO   4  -1.982   4.292   8.510
   30   2HD   PRO   4          1HD       PRO   4  -1.481   3.775   6.888
   31    H    GLY   5           H        GLY   5  -0.297  -0.392  10.215
   32   1HA   GLY   5          1HA       GLY   5   0.192  -0.411  12.766
   33   2HA   GLY   5          2HA       GLY   5  -1.062   0.821  12.844
   34    H    CYS   6           H        CYS   6  -2.574  -0.334  14.018
   35    HA   CYS   6           HA       CYS   6  -4.114  -2.291  12.557
   36   1HB   CYS   6          1HB       CYS   6  -3.771  -3.908  14.607
   37   2HB   CYS   6          2HB       CYS   6  -2.538  -3.839  13.379
   38    HA   PRO   7           HA       PRO   7  -7.551  -0.793  14.896
   39   1HB   PRO   7          1HB       PRO   7  -7.869  -3.580  16.007
   40   2HB   PRO   7          2HB       PRO   7  -9.061  -2.588  15.154
   41   1HG   PRO   7          1HG       PRO   7  -7.609  -4.728  14.014
   42   2HG   PRO   7          2HG       PRO   7  -8.437  -3.463  13.102
   43   1HD   PRO   7          2HD       PRO   7  -5.587  -3.879  13.365
   44   2HD   PRO   7          1HD       PRO   7  -6.416  -2.645  12.403
   45    H    SER   8           H        SER   8  -7.008   0.439  16.638
   46    HA   SER   8           HA       SER   8  -5.044   0.080  18.512
   47   1HB   SER   8          1HB       SER   8  -7.804   1.140  19.252
   48   2HB   SER   8          2HB       SER   8  -6.247   1.563  20.005
   49    HG   SER   8           HG       SER   8  -7.216   2.876  18.108
   50    H    SER   9           H        SER   9  -7.997  -1.721  18.387
   51    HA   SER   9           HA       SER   9  -8.193  -2.614  21.049
   52   1HB   SER   9          1HB       SER   9  -8.900  -3.683  18.347
   53   2HB   SER   9          2HB       SER   9  -8.749  -4.912  19.616
   54    HG   SER   9           HG       SER   9 -10.758  -3.298  19.267
   55    OH   TYR  10           OH       TYR  10  -5.678  -8.817  15.414
   56    H    TYR  10           H        TYR  10  -5.638  -2.859  18.953
   57    HA   TYR  10           HA       TYR  10  -4.444  -5.255  20.143
   58   1HB   TYR  10          1HB       TYR  10  -3.916  -3.476  17.764
   59   2HB   TYR  10          2HB       TYR  10  -2.630  -4.512  18.371
   60    HD1  TYR  10           HD2      TYR  10  -3.437  -6.995  18.884
   61    HD2  TYR  10           HD1      TYR  10  -5.376  -4.370  16.185
   62    HE1  TYR  10           HE2      TYR  10  -4.110  -8.900  17.539
   63    HE2  TYR  10           HE1      TYR  10  -6.156  -6.268  14.882
   64    HH   TYR  10           HH       TYR  10  -5.943  -9.493  16.042
   65    H    ASP  11           H        ASP  11  -3.079  -2.236  19.014
   66    HA   ASP  11           HA       ASP  11  -1.156  -1.127  19.784
   67   1HB   ASP  11          1HB       ASP  11  -3.479  -0.405  20.801
   68   2HB   ASP  11          2HB       ASP  11  -2.774  -0.999  22.310
   69    H    GLY  12           H        GLY  12  -0.777  -3.903  20.163
   70   1HA   GLY  12          1HA       GLY  12   1.331  -3.857  22.121
   71   2HA   GLY  12          2HA       GLY  12  -0.062  -4.690  22.785
   72    OH   TYR  13           OH       TYR  13  -1.519 -12.917  16.705
   73    H    TYR  13           H        TYR  13  -0.834  -5.889  20.208
   74    HA   TYR  13           HA       TYR  13   0.070  -8.402  20.224
   75   1HB   TYR  13          1HB       TYR  13  -1.291  -7.045  18.359
   76   2HB   TYR  13          2HB       TYR  13   0.246  -7.092  17.512
   77    HD1  TYR  13           HD2      TYR  13  -2.342  -9.164  19.113
   78    HD2  TYR  13           HD1      TYR  13   1.001  -9.160  16.478
   79    HE1  TYR  13           HE2      TYR  13  -2.864 -11.470  18.441
   80    HE2  TYR  13           HE1      TYR  13   0.527 -11.484  15.853
   81    HH   TYR  13           HH       TYR  13  -0.878 -13.501  17.116
   82    H    CYS  14           H        CYS  14   1.885  -6.126  18.162
   83    HA   CYS  14           HA       CYS  14   3.966  -7.900  17.528
   84   1HB   CYS  14          1HB       CYS  14   3.471  -5.015  17.424
   85   2HB   CYS  14          2HB       CYS  14   5.165  -5.431  17.481
   86    H    LEU  15           H        LEU  15   5.774  -8.521  18.232
   87    HA   LEU  15           HA       LEU  15   6.710  -7.884  20.971
   88   1HB   LEU  15          1HB       LEU  15   6.558 -10.142  19.144
   89   2HB   LEU  15          2HB       LEU  15   8.220  -9.896  19.638
   90    HG   LEU  15           HG       LEU  15   7.211 -11.430  21.098
   91   1HD1  LEU  15          3HD1      LEU  15   8.499  -9.212  21.969
   92   2HD1  LEU  15          1HD1      LEU  15   7.032  -9.116  22.930
   93   3HD1  LEU  15          2HD1      LEU  15   8.057 -10.547  23.019
   94   1HD2  LEU  15          2HD2      LEU  15   4.955  -9.518  21.044
   95   2HD2  LEU  15          3HD2      LEU  15   4.947 -11.279  21.019
   96   3HD2  LEU  15          1HD2      LEU  15   5.196 -10.423  22.538
   97    H    ASN  16           H        ASN  16   8.898  -7.192  21.313
   98    HA   ASN  16           HA       ASN  16  10.886  -6.025  20.669
   99   1HB   ASN  16          1HB       ASN  16  10.868  -7.985  18.384
  100   2HB   ASN  16          2HB       ASN  16  12.245  -7.436  19.340
  101   1HD2  ASN  16          2HD2      ASN  16  10.976 -10.859  20.510
  102   2HD2  ASN  16          1HD2      ASN  16  11.400 -10.259  18.967
  103    H    GLY  17           H        GLY  17  10.416  -4.043  20.089
  104   1HA   GLY  17          1HA       GLY  17   9.260  -2.430  18.606
  105   2HA   GLY  17          2HA       GLY  17  10.937  -2.549  18.098
  106    H    GLY  18           H        GLY  18   7.899  -4.305  17.615
  107   1HA   GLY  18          1HA       GLY  18   8.613  -4.564  14.721
  108   2HA   GLY  18          2HA       GLY  18   7.609  -5.717  15.593
  109    H    VAL  19           H        VAL  19   7.047  -4.085  13.186
  110    HA   VAL  19           HA       VAL  19   4.959  -2.263  14.148
  111    HB   VAL  19           HB       VAL  19   5.232  -2.737  11.231
  112   1HG1  VAL  19          1HG1      VAL  19   4.025  -0.829  12.507
  113   2HG1  VAL  19          2HG1      VAL  19   5.634  -0.167  12.772
  114   3HG1  VAL  19          3HG1      VAL  19   5.026  -0.373  11.133
  115   1HG2  VAL  19          2HG2      VAL  19   7.548  -1.738  12.915
  116   2HG2  VAL  19          3HG2      VAL  19   7.559  -3.092  11.791
  117   3HG2  VAL  19          1HG2      VAL  19   7.420  -1.445  11.184
  118    H    CYS  20           H        CYS  20   2.865  -2.835  14.241
  119    HA   CYS  20           HA       CYS  20   2.121  -5.515  13.464
  120   1HB   CYS  20          1HB       CYS  20  -0.062  -4.954  14.324
  121   2HB   CYS  20          2HB       CYS  20   1.144  -4.312  15.405
  122    H    MET  21           H        MET  21   1.683  -6.124  11.456
  123    HA   MET  21           HA       MET  21   1.166  -4.104   9.400
  124   1HB   MET  21          1HB       MET  21   1.919  -6.949   9.516
  125   2HB   MET  21          2HB       MET  21   0.750  -6.621   8.242
  126   1HG   MET  21          1HG       MET  21   3.207  -4.928   8.651
  127   2HG   MET  21          2HG       MET  21   3.250  -6.372   7.681
  128   1HE   MET  21          2HE       MET  21   2.384  -6.764   5.552
  129   2HE   MET  21          3HE       MET  21   0.693  -6.421   5.915
  130   3HE   MET  21          1HE       MET  21   1.467  -5.668   4.521
  131    H    HIS  22           H        HIS  22  -0.548  -4.213   7.911
  132    HA   HIS  22           HA       HIS  22  -3.036  -5.578   8.717
  133   1HB   HIS  22          1HB       HIS  22  -3.110  -3.577  10.128
  134   2HB   HIS  22          2HB       HIS  22  -2.743  -2.546   8.741
  135    HD1  HIS  22           HD1      HIS  22  -5.201  -1.615   9.416
  136    HD2  HIS  22           HD2      HIS  22  -5.191  -5.354   7.816
  137    HE1  HIS  22           HE1      HIS  22  -7.527  -2.099   8.870
  138    H    ILE  23           H        ILE  23  -3.142  -6.455   6.591
  139    HA   ILE  23           HA       ILE  23  -2.971  -4.651   4.320
  140    HB   ILE  23           HB       ILE  23  -4.165  -7.411   4.146
  141   1HG1  ILE  23          1HG1      ILE  23  -1.424  -7.755   3.683
  142   2HG1  ILE  23          2HG1      ILE  23  -1.491  -6.822   5.169
  143   1HG2  ILE  23          3HG2      ILE  23  -3.931  -5.869   2.152
  144   2HG2  ILE  23          1HG2      ILE  23  -2.188  -5.893   2.386
  145   3HG2  ILE  23          2HG2      ILE  23  -3.038  -7.372   1.952
  146   1HD1  ILE  23          2HD1      ILE  23  -3.152  -8.477   6.073
  147   2HD1  ILE  23          3HD1      ILE  23  -2.940  -9.432   4.609
  148   3HD1  ILE  23          1HD1      ILE  23  -1.589  -9.207   5.716
  149    H    GLU  24           H        GLU  24  -4.599  -3.259   4.140
  150    HA   GLU  24           HA       GLU  24  -7.181  -3.475   5.185
  151   1HB   GLU  24          1HB       GLU  24  -5.825  -1.836   3.170
  152   2HB   GLU  24          2HB       GLU  24  -7.508  -2.111   2.734
  153   1HG   GLU  24          1HG       GLU  24  -6.618  -1.179   5.486
  154   2HG   GLU  24          2HG       GLU  24  -7.148  -0.086   4.212
  155    H    SER  25           H        SER  25  -5.827  -5.063   2.462
  156    HA   SER  25           HA       SER  25  -8.046  -5.648   0.890
  157   1HB   SER  25          1HB       SER  25  -5.741  -6.416   0.331
  158   2HB   SER  25          2HB       SER  25  -5.782  -7.545   1.701
  159    HG   SER  25           HG       SER  25  -6.562  -8.750   0.075
  160    H    LEU  26           H        LEU  26  -6.805  -8.085   3.127
  161    HA   LEU  26           HA       LEU  26  -9.413  -9.231   3.404
  162   1HB   LEU  26          1HB       LEU  26  -6.871  -9.868   4.937
  163   2HB   LEU  26          2HB       LEU  26  -8.259 -10.929   4.756
  164    HG   LEU  26           HG       LEU  26  -6.581  -9.921   2.425
  165   1HD1  LEU  26          3HD1      LEU  26  -5.275 -11.385   3.939
  166   2HD1  LEU  26          1HD1      LEU  26  -6.536 -12.610   3.824
  167   3HD1  LEU  26          2HD1      LEU  26  -5.601 -12.172   2.398
  168   1HD2  LEU  26          2HD2      LEU  26  -9.094 -11.402   2.656
  169   2HD2  LEU  26          3HD2      LEU  26  -8.340 -10.702   1.228
  170   3HD2  LEU  26          1HD2      LEU  26  -7.879 -12.311   1.773
  171    H    ASP  27           H        ASP  27  -7.486  -7.021   5.198
  172    HA   ASP  27           HA       ASP  27  -8.116  -5.655   7.009
  173   1HB   ASP  27          1HB       ASP  27 -10.554  -6.399   6.105
  174   2HB   ASP  27          2HB       ASP  27 -10.555  -7.305   7.619
  175    H    SER  28           H        SER  28  -7.184  -8.751   7.066
  176    HA   SER  28           HA       SER  28  -7.710  -9.406   9.828
  177   1HB   SER  28          1HB       SER  28  -6.382 -11.367   9.405
  178   2HB   SER  28          2HB       SER  28  -7.007 -10.990   7.788
  179    HG   SER  28           HG       SER  28  -4.999  -9.430   8.007
  180    OH   TYR  29           OH       TYR  29  -8.501  -4.497  10.967
  181    H    TYR  29           H        TYR  29  -5.148 -10.218  10.731
  182    HA   TYR  29           HA       TYR  29  -3.512  -7.759  10.653
  183   1HB   TYR  29          1HB       TYR  29  -4.787  -8.848  13.210
  184   2HB   TYR  29          2HB       TYR  29  -3.606  -7.534  13.158
  185    HD1  TYR  29           HD2      TYR  29  -4.155  -5.619  11.489
  186    HD2  TYR  29           HD1      TYR  29  -7.093  -8.254  13.040
  187    HE1  TYR  29           HE2      TYR  29  -5.909  -4.141  10.703
  188    HE2  TYR  29           HE1      TYR  29  -8.861  -6.800  12.192
  189    HH   TYR  29           HH       TYR  29  -8.089  -3.809  10.439
  190    H    THR  30           H        THR  30  -1.406  -8.028  11.164
  191    HA   THR  30           HA       THR  30  -0.473 -10.514  12.440
  192    HB   THR  30           HB       THR  30  -0.649 -11.101   9.969
  193    HG1  THR  30           HG1      THR  30   1.978 -10.974   9.999
  194   1HG2  THR  30          2HG2      THR  30   0.150  -8.464   9.540
  195   2HG2  THR  30          3HG2      THR  30   1.667  -9.331   9.326
  196   3HG2  THR  30          1HG2      THR  30   0.276  -9.730   8.325
  197    H    CYS  31           H        CYS  31   2.287  -9.965  11.376
  198    HA   CYS  31           HA       CYS  31   2.791  -7.246  12.296
  199   1HB   CYS  31          1HB       CYS  31   3.053  -9.589  14.043
  200   2HB   CYS  31          2HB       CYS  31   4.501  -8.625  13.986
  201    H    ASN  32           H        ASN  32   4.467  -6.382  11.414
  202    HA   ASN  32           HA       ASN  32   6.346  -8.082   9.898
  203   1HB   ASN  32          1HB       ASN  32   5.335  -5.943   8.933
  204   2HB   ASN  32          2HB       ASN  32   6.201  -5.034  10.169
  205   1HD2  ASN  32          2HD2      ASN  32   8.397  -6.846   7.190
  206   2HD2  ASN  32          1HD2      ASN  32   6.907  -7.522   7.641
  207    H    CYS  33           H        CYS  33   7.539  -9.016  11.534
  208    HA   CYS  33           HA       CYS  33   8.606  -7.701  13.794
  209   1HB   CYS  33          1HB       CYS  33  10.020  -9.917  12.320
  210   2HB   CYS  33          2HB       CYS  33   9.958  -9.634  14.047
  211    H    VAL  34           H        VAL  34  11.437  -8.588  13.338
  212    HA   VAL  34           HA       VAL  34  12.357  -6.456  11.488
  213    HB   VAL  34           HB       VAL  34  13.446  -6.715  14.339
  214   1HG1  VAL  34          2HG1      VAL  34  13.973  -4.963  11.977
  215   2HG1  VAL  34          3HG1      VAL  34  14.001  -4.207  13.564
  216   3HG1  VAL  34          1HG1      VAL  34  15.062  -5.552  13.211
  217   1HG2  VAL  34          2HG2      VAL  34  11.040  -5.952  14.324
  218   2HG2  VAL  34          3HG2      VAL  34  12.162  -4.740  14.931
  219   3HG2  VAL  34          1HG2      VAL  34  11.518  -4.614  13.295
  220    H    ILE  35           H        ILE  35  14.969  -6.475  11.695
  221    HA   ILE  35           HA       ILE  35  15.732  -8.969  10.574
  222    HB   ILE  35           HB       ILE  35  16.835  -7.040   9.711
  223   1HG1  ILE  35          1HG1      ILE  35  18.957  -7.765  11.702
  224   2HG1  ILE  35          2HG1      ILE  35  18.475  -8.921  10.464
  225   1HG2  ILE  35          1HG2      ILE  35  17.101  -6.296  12.642
  226   2HG2  ILE  35          2HG2      ILE  35  18.086  -5.491  11.436
  227   3HG2  ILE  35          3HG2      ILE  35  16.336  -5.374  11.350
  228   1HD1  ILE  35          1HD1      ILE  35  18.955  -6.208   9.413
  229   2HD1  ILE  35          2HD1      ILE  35  20.379  -6.947  10.132
  230   3HD1  ILE  35          3HD1      ILE  35  19.535  -7.759   8.819
  231    H    GLY  36           H        GLY  36  14.821  -9.202  13.249
  232   1HA   GLY  36          1HA       GLY  36  16.793 -11.091  14.217
  233   2HA   GLY  36          2HA       GLY  36  16.749  -9.647  15.234
  234    OH   TYR  37           OH       TYR  37  15.361  -5.544  18.904
  235    H    TYR  37           H        TYR  37  13.972  -9.317  14.371
  236    HA   TYR  37           HA       TYR  37  12.803 -10.985  16.485
  237   1HB   TYR  37          1HB       TYR  37  11.681  -8.579  15.040
  238   2HB   TYR  37          2HB       TYR  37  11.061  -9.285  16.516
  239    HD1  TYR  37           HD2      TYR  37  14.390  -9.594  17.317
  240    HD2  TYR  37           HD1      TYR  37  11.688  -6.441  16.446
  241    HE1  TYR  37           HE2      TYR  37  15.714  -8.165  18.596
  242    HE2  TYR  37           HE1      TYR  37  13.161  -4.890  17.604
  243    HH   TYR  37           HH       TYR  37  15.794  -6.044  19.597
  244    H    SER  38           H        SER  38  11.765 -12.740  15.998
  245    HA   SER  38           HA       SER  38   9.948 -12.892  13.726
  246   1HB   SER  38          1HB       SER  38  12.360 -14.773  13.661
  247   2HB   SER  38          2HB       SER  38  11.172 -14.492  12.377
  248    HG   SER  38           HG       SER  38  12.778 -13.159  11.824
  249    H    GLY  39           H        GLY  39  10.365 -15.826  13.497
  250   1HA   GLY  39          1HA       GLY  39   9.834 -17.826  14.666
  251   2HA   GLY  39          2HA       GLY  39   9.846 -16.913  16.168
  252    H    ASP  40           H        ASP  40   7.877 -17.419  17.048
  253    HA   ASP  40           HA       ASP  40   5.472 -17.893  15.641
  254   1HB   ASP  40          1HB       ASP  40   5.869 -16.526  18.358
  255   2HB   ASP  40          2HB       ASP  40   4.349 -17.225  17.799
  256    NH1  ARG  41           NH2      ARG  41   3.259 -12.939  20.575
  257    NH2  ARG  41           NH1      ARG  41   1.289 -11.778  20.621
  258    H    ARG  41           H        ARG  41   5.132 -15.109  17.656
  259    HA   ARG  41           HA       ARG  41   4.069 -13.634  15.398
  260   1HB   ARG  41          1HB       ARG  41   2.935 -13.265  17.484
  261   2HB   ARG  41          2HB       ARG  41   4.442 -13.162  18.399
  262   1HG   ARG  41          1HG       ARG  41   4.883 -10.997  17.648
  263   2HG   ARG  41          2HG       ARG  41   3.789 -11.137  16.273
  264   1HD   ARG  41          1HD       ARG  41   2.678  -9.779  17.882
  265   2HD   ARG  41          2HD       ARG  41   1.891 -11.330  17.930
  266    HE   ARG  41           HE       ARG  41   3.676 -10.278  20.029
  267   1HH1  ARG  41          1HH2      ARG  41   4.214 -12.990  20.282
  268   2HH1  ARG  41          2HH2      ARG  41   2.856 -13.687  21.099
  269   1HH2  ARG  41          1HH1      ARG  41   0.770 -10.963  20.365
  270   2HH2  ARG  41          2HH1      ARG  41   0.848 -12.507  21.147
  271    H    CYS  42           H        CYS  42   6.527 -12.828  17.848
  272    HA   CYS  42           HA       CYS  42   8.654 -12.441  15.997
  273   1HB   CYS  42          1HB       CYS  42   7.528  -9.864  17.091
  274   2HB   CYS  42          2HB       CYS  42   8.937 -10.047  16.087
  275    H    GLN  43           H        GLN  43   7.931 -13.379  18.766
  276    HA   GLN  43           HA       GLN  43   9.461 -11.703  20.576
  277   1HB   GLN  43          1HB       GLN  43   9.416 -14.389  21.546
  278   2HB   GLN  43          2HB       GLN  43   8.409 -13.059  22.070
  279   1HG   GLN  43          1HG       GLN  43   6.777 -13.575  20.283
  280   2HG   GLN  43          2HG       GLN  43   7.819 -14.867  19.694
  281   1HE2  GLN  43          2HE2      GLN  43   6.087 -17.100  21.776
  282   2HE2  GLN  43          1HE2      GLN  43   6.615 -16.715  20.210
  283    H    THR  44           H        THR  44  10.360 -14.135  18.291
  284    HA   THR  44           HA       THR  44  12.717 -15.057  19.629
  285    HB   THR  44           HB       THR  44  12.179 -14.975  16.615
  286    HG1  THR  44           HG1      THR  44  11.369 -17.110  17.195
  287   1HG2  THR  44          2HG2      THR  44  14.367 -15.981  18.194
  288   2HG2  THR  44          3HG2      THR  44  13.395 -17.377  17.738
  289   3HG2  THR  44          1HG2      THR  44  14.061 -16.323  16.494
  290    NH1  ARG  45           NH1      ARG  45  15.928  -6.958  23.223
  291    NH2  ARG  45           NH2      ARG  45  16.212  -8.731  24.638
  292    H    ARG  45           H        ARG  45  14.017 -13.469  20.332
  293    HA   ARG  45           HA       ARG  45  15.018 -11.458  18.394
  294   1HB   ARG  45          1HB       ARG  45  14.112 -10.551  20.426
  295   2HB   ARG  45          2HB       ARG  45  14.969 -11.720  21.425
  296   1HG   ARG  45          1HG       ARG  45  16.950 -10.616  21.253
  297   2HG   ARG  45          2HG       ARG  45  16.603 -10.062  19.626
  298   1HD   ARG  45          1HD       ARG  45  16.526  -8.118  21.099
  299   2HD   ARG  45          2HD       ARG  45  14.872  -8.483  20.609
  300    HE   ARG  45           HE       ARG  45  14.730  -9.751  22.847
  301   1HH1  ARG  45          1HH1      ARG  45  15.629  -6.612  22.333
  302   2HH1  ARG  45          2HH1      ARG  45  16.302  -6.328  23.903
  303   1HH2  ARG  45          1HH2      ARG  45  16.123  -9.712  24.806
  304   2HH2  ARG  45          2HH2      ARG  45  16.592  -8.134  25.344
  305    H    ASP  46           H        ASP  46  16.355 -12.966  17.327
  306    HA   ASP  46           HA       ASP  46  18.367 -14.557  18.643
  307   1HB   ASP  46          1HB       ASP  46  17.819 -13.631  15.830
  308   2HB   ASP  46          2HB       ASP  46  19.382 -14.363  16.183
  309    H    LEU  47           H        LEU  47  20.596 -14.329  18.703
  310    HA   LEU  47           HA       LEU  47  21.627 -11.827  19.550
  311   1HB   LEU  47          1HB       LEU  47  23.904 -13.018  19.083
  312   2HB   LEU  47          2HB       LEU  47  22.824 -13.778  20.246
  313    HG   LEU  47           HG       LEU  47  22.272 -14.620  17.488
  314   1HD1  LEU  47          2HD1      LEU  47  25.004 -15.102  18.703
  315   2HD1  LEU  47          3HD1      LEU  47  24.332 -16.099  17.418
  316   3HD1  LEU  47          1HD1      LEU  47  24.647 -14.391  17.133
  317   1HD2  LEU  47          2HD2      LEU  47  21.401 -15.695  19.569
  318   2HD2  LEU  47          3HD2      LEU  47  22.303 -16.830  18.568
  319   3HD2  LEU  47          1HD2      LEU  47  23.049 -16.133  20.003
  320    NH1  ARG  48           NH2      ARG  48  21.293 -13.993  13.878
  321    NH2  ARG  48           NH1      ARG  48  22.088 -13.464  11.800
  322    H    ARG  48           H        ARG  48  21.078 -10.273  17.874
  323    HA   ARG  48           HA       ARG  48  23.190  -9.843  16.072
  324   1HB   ARG  48          1HB       ARG  48  21.506 -10.069  14.036
  325   2HB   ARG  48          2HB       ARG  48  22.380 -11.465  14.636
  326   1HG   ARG  48          1HG       ARG  48  20.499 -12.286  15.825
  327   2HG   ARG  48          2HG       ARG  48  19.675 -10.735  15.767
  328   1HD   ARG  48          1HD       ARG  48  19.102 -12.763  14.066
  329   2HD   ARG  48          2HD       ARG  48  18.987 -11.078  13.581
  330    HE   ARG  48           HE       ARG  48  20.900 -11.357  12.225
  331   1HH1  ARG  48          1HH2      ARG  48  20.735 -13.748  14.668
  332   2HH1  ARG  48          2HH2      ARG  48  21.795 -14.858  13.868
  333   1HH2  ARG  48          1HH1      ARG  48  22.123 -12.822  11.034
  334   2HH2  ARG  48          2HH1      ARG  48  22.604 -14.319  11.758
  335    CH2  TRP  49           CH2      TRP  49  16.768  -2.361  14.712
  336    H    TRP  49           H        TRP  49  20.077  -9.208  14.983
  337    HA   TRP  49           HA       TRP  49  19.926  -6.735  14.210
  338   1HB   TRP  49          1HB       TRP  49  18.014  -8.173  14.434
  339   2HB   TRP  49          2HB       TRP  49  18.013  -8.104  16.185
  340    HD1  TRP  49           HD1      TRP  49  15.440  -7.700  15.575
  341    HE1  TRP  49           HE1      TRP  49  14.333  -5.484  15.846
  342    HE3  TRP  49           HE3      TRP  49  19.239  -4.607  14.308
  343    HZ2  TRP  49           HZ2      TRP  49  14.799  -2.826  15.401
  344    HZ3  TRP  49           HZ3      TRP  49  18.775  -2.229  14.027
  345    HH2  TRP  49           HH2      TRP  49  16.575  -1.307  14.589
  346    CH2  TRP  50           CH2      TRP  50  20.964  -9.995  21.152
  347    H    TRP  50           H        TRP  50  18.166  -6.147  16.802
  348    HA   TRP  50           HA       TRP  50  18.174  -4.179  18.164
  349   1HB   TRP  50          1HB       TRP  50  20.682  -5.196  19.429
  350   2HB   TRP  50          2HB       TRP  50  19.145  -4.784  20.177
  351    HD1  TRP  50           HD1      TRP  50  17.395  -6.790  18.195
  352    HE1  TRP  50           HE1      TRP  50  17.708  -9.268  18.552
  353    HE3  TRP  50           HE3      TRP  50  21.469  -6.673  21.033
  354    HZ2  TRP  50           HZ2      TRP  50  19.463 -11.053  20.048
  355    HZ3  TRP  50           HZ3      TRP  50  22.392  -8.704  22.060
  356    HH2  TRP  50           HH2      TRP  50  21.354 -10.882  21.628
  357    H    GLU  51           H        GLU  51  18.658  -2.255  17.456
  358    HA   GLU  51           HA       GLU  51  20.630  -0.599  18.024
  359   1HB   GLU  51          1HB       GLU  51  22.198  -0.528  16.108
  360   2HB   GLU  51          2HB       GLU  51  22.313  -2.059  16.925
  361   1HG   GLU  51          1HG       GLU  51  20.655  -2.965  15.197
  362   2HG   GLU  51          2HG       GLU  51  20.906  -1.453  14.324
  363    H    LEU  52           H        LEU  52  20.769   1.350  16.604
  364    HA   LEU  52           HA       LEU  52  19.621   3.013  15.437
  365   1HB   LEU  52          1HB       LEU  52  19.303   0.515  13.770
  366   2HB   LEU  52          2HB       LEU  52  18.346   1.922  13.330
  367    HG   LEU  52           HG       LEU  52  20.370   3.293  13.170
  368   1HD1  LEU  52          3HD1      LEU  52  21.668   0.772  14.223
  369   2HD1  LEU  52          1HD1      LEU  52  22.599   1.983  13.348
  370   3HD1  LEU  52          2HD1      LEU  52  21.799   2.409  14.856
  371   1HD2  LEU  52          3HD2      LEU  52  19.655   1.885  11.216
  372   2HD2  LEU  52          1HD2      LEU  52  21.385   2.210  11.234
  373   3HD2  LEU  52          2HD2      LEU  52  20.780   0.641  11.751
  374    NH1  ARG  53           NH1      ARG  53  12.021   4.223  13.903
  375    NH2  ARG  53           NH2      ARG  53  11.899   5.779  12.237
  376    H    ARG  53           H        ARG  53  17.683   4.061  15.498
  377    HA   ARG  53           HA       ARG  53  15.511   4.460  16.305
  378   1HB   ARG  53          1HB       ARG  53  15.039   1.674  15.151
  379   2HB   ARG  53          2HB       ARG  53  13.834   2.939  15.367
  380   1HG   ARG  53          1HG       ARG  53  15.349   4.386  13.849
  381   2HG   ARG  53          2HG       ARG  53  16.176   2.888  13.446
  382   1HD   ARG  53          1HD       ARG  53  14.581   2.450  11.916
  383   2HD   ARG  53          2HD       ARG  53  13.377   2.378  13.196
  384    HE   ARG  53           HE       ARG  53  13.984   4.737  11.504
  385   1HH1  ARG  53          1HH1      ARG  53  12.488   3.442  14.312
  386   2HH1  ARG  53          2HH1      ARG  53  11.201   4.599  14.335
  387   1HH2  ARG  53          1HH2      ARG  53  12.277   6.166  11.394
  388   2HH2  ARG  53                 ARG  53  11.078   6.175  12.643
   
  Start of MODEL           3
 Raw file had 388 H/Q atoms
  Start of MODEL    3
    1   1H    ASN   1          3H        ASN   1  -7.489   3.935   1.678
    2   2H    ASN   1          1H        ASN   1  -6.193   4.918   1.185
    3   3H    ASN   1          2H        ASN   1  -7.339   4.391   0.048
    4    HA   ASN   1           HA       ASN   1  -6.638   2.157   0.216
    5   1HB   ASN   1          1HB       ASN   1  -4.176   3.966   0.169
    6   2HB   ASN   1          2HB       ASN   1  -4.312   2.373  -0.576
    7   1HD2  ASN   1          2HD2      ASN   1  -5.763   3.622  -3.508
    8   2HD2  ASN   1          1HD2      ASN   1  -5.033   2.320  -2.699
    9    H    SER   2           H        SER   2  -3.949   1.490   0.953
   10    HA   SER   2           HA       SER   2  -4.187   0.202   3.302
   11   1HB   SER   2          1HB       SER   2  -1.539   1.375   3.333
   12   2HB   SER   2          2HB       SER   2  -1.999  -0.247   2.775
   13    HG   SER   2           HG       SER   2  -1.775   0.484   0.826
   14    OH   TYR   3           OH       TYR   3  -8.858   6.269   6.268
   15    H    TYR   3           H        TYR   3  -3.924   0.569   5.459
   16    HA   TYR   3           HA       TYR   3  -3.828   3.346   6.352
   17   1HB   TYR   3          1HB       TYR   3  -5.632   1.108   6.975
   18   2HB   TYR   3          2HB       TYR   3  -5.049   1.979   8.391
   19    HD1  TYR   3           HD1      TYR   3  -5.229   4.541   8.358
   20    HD2  TYR   3           HD2      TYR   3  -7.328   2.049   5.629
   21    HE1  TYR   3           HE1      TYR   3  -6.816   6.363   7.923
   22    HE2  TYR   3           HE2      TYR   3  -8.911   3.873   5.179
   23    HH   TYR   3           HH       TYR   3  -9.057   6.266   5.332
   24    HA   PRO   4           HA       PRO   4  -0.126   1.347   8.189
   25   1HB   PRO   4          1HB       PRO   4   0.529   4.051   9.160
   26   2HB   PRO   4          2HB       PRO   4   1.452   3.020   8.063
   27   1HG   PRO   4          1HG       PRO   4   0.012   5.327   7.319
   28   2HG   PRO   4          2HG       PRO   4   0.618   4.093   6.212
   29   1HD   PRO   4          2HD       PRO   4  -2.148   4.617   7.064
   30   2HD   PRO   4          1HD       PRO   4  -1.580   3.598   5.721
   31    H    GLY   5           H        GLY   5  -0.670   0.283   9.971
   32   1HA   GLY   5          1HA       GLY   5  -0.522   0.772  12.534
   33   2HA   GLY   5          2HA       GLY   5  -1.943   1.770  12.227
   34    H    CYS   6           H        CYS   6  -2.857   0.166  13.864
   35    HA   CYS   6           HA       CYS   6  -4.345  -1.811  12.393
   36   1HB   CYS   6          1HB       CYS   6  -3.520  -3.713  13.848
   37   2HB   CYS   6          2HB       CYS   6  -2.315  -3.059  12.770
   38    HA   PRO   7           HA       PRO   7  -7.549  -0.980  15.331
   39   1HB   PRO   7          1HB       PRO   7  -7.631  -3.923  15.913
   40   2HB   PRO   7          2HB       PRO   7  -8.929  -2.868  15.333
   41   1HG   PRO   7          1HG       PRO   7  -7.414  -4.680  13.755
   42   2HG   PRO   7          2HG       PRO   7  -8.463  -3.399  13.136
   43   1HD   PRO   7          2HD       PRO   7  -5.600  -3.539  13.016
   44   2HD   PRO   7          1HD       PRO   7  -6.637  -2.221  12.421
   45    H    SER   8           H        SER   8  -7.768  -0.683  17.575
   46    HA   SER   8           HA       SER   8  -5.480  -0.708  19.199
   47   1HB   SER   8          1HB       SER   8  -7.059  -0.586  21.155
   48   2HB   SER   8          2HB       SER   8  -7.621   0.468  19.834
   49    HG   SER   8           HG       SER   8  -9.229  -0.850  19.468
   50    H    SER   9           H        SER   9  -7.688  -3.295  18.499
   51    HA   SER   9           HA       SER   9  -7.251  -5.079  20.586
   52   1HB   SER   9          1HB       SER   9  -7.617  -6.870  18.882
   53   2HB   SER   9          2HB       SER   9  -8.657  -5.488  18.485
   54    HG   SER   9           HG       SER   9  -6.908  -6.511  16.912
   55    OH   TYR  10           OH       TYR  10  -4.737  -8.704  14.406
   56    H    TYR  10           H        TYR  10  -4.981  -3.756  18.477
   57    HA   TYR  10           HA       TYR  10  -3.018  -5.867  18.947
   58   1HB   TYR  10          1HB       TYR  10  -3.207  -3.444  17.157
   59   2HB   TYR  10          2HB       TYR  10  -1.661  -4.281  17.377
   60    HD1  TYR  10           HD2      TYR  10  -1.692  -6.796  17.129
   61    HD2  TYR  10           HD1      TYR  10  -4.818  -4.364  15.673
   62    HE1  TYR  10           HE2      TYR  10  -2.558  -8.715  15.898
   63    HE2  TYR  10           HE1      TYR  10  -5.709  -6.234  14.401
   64    HH   TYR  10           HH       TYR  10  -4.015  -9.190  14.002
   65    H    ASP  11           H        ASP  11  -4.014  -4.007  20.980
   66    HA   ASP  11           HA       ASP  11  -1.892  -2.170  21.582
   67   1HB   ASP  11          1HB       ASP  11  -4.324  -2.119  22.456
   68   2HB   ASP  11          2HB       ASP  11  -3.854  -3.426  23.547
   69    H    GLY  12           H        GLY  12  -1.406  -5.232  21.222
   70   1HA   GLY  12          1HA       GLY  12   0.913  -5.414  22.773
   71   2HA   GLY  12          2HA       GLY  12  -0.356  -6.050  23.796
   72    OH   TYR  13           OH       TYR  13   0.639 -12.302  14.951
   73    H    TYR  13           H        TYR  13   0.409  -6.516  20.287
   74    HA   TYR  13           HA       TYR  13   0.726  -9.425  20.907
   75   1HB   TYR  13          1HB       TYR  13  -1.438  -9.506  19.976
   76   2HB   TYR  13          2HB       TYR  13  -1.174  -8.091  18.963
   77    HD1  TYR  13           HD1      TYR  13  -0.442 -11.715  19.296
   78    HD2  TYR  13           HD2      TYR  13  -0.028  -8.258  16.885
   79    HE1  TYR  13           HE1      TYR  13   0.184 -13.118  17.405
   80    HE2  TYR  13           HE2      TYR  13   0.378  -9.694  14.917
   81    HH   TYR  13           HH       TYR  13  -0.140 -12.378  14.393
   82    H    CYS  14           H        CYS  14   2.046  -6.710  19.684
   83    HA   CYS  14           HA       CYS  14   3.710  -8.200  17.707
   84   1HB   CYS  14          1HB       CYS  14   2.969  -5.295  18.093
   85   2HB   CYS  14          2HB       CYS  14   4.481  -5.670  17.320
   86    H    LEU  15           H        LEU  15   5.400  -9.043  18.755
   87    HA   LEU  15           HA       LEU  15   6.641  -7.638  21.014
   88   1HB   LEU  15          1HB       LEU  15   6.602 -10.336  19.811
   89   2HB   LEU  15          2HB       LEU  15   8.170  -9.854  20.428
   90    HG   LEU  15           HG       LEU  15   6.912 -11.039  22.118
   91   1HD1  LEU  15          3HD1      LEU  15   8.320  -8.793  22.506
   92   2HD1  LEU  15          1HD1      LEU  15   6.795  -8.288  23.220
   93   3HD1  LEU  15          2HD1      LEU  15   7.623  -9.719  23.825
   94   1HD2  LEU  15          3HD2      LEU  15   4.750  -9.240  21.274
   95   2HD2  LEU  15          1HD2      LEU  15   4.680 -10.851  21.963
   96   3HD2  LEU  15          2HD2      LEU  15   4.871  -9.459  23.018
   97    H    ASN  16           H        ASN  16   8.925  -7.606  21.210
   98    HA   ASN  16           HA       ASN  16  10.711  -6.160  20.394
   99   1HB   ASN  16          1HB       ASN  16  11.263  -8.805  19.109
  100   2HB   ASN  16          2HB       ASN  16  12.339  -7.800  20.082
  101   1HD2  ASN  16          2HD2      ASN  16  10.718 -10.779  21.927
  102   2HD2  ASN  16          1HD2      ASN  16  11.297 -10.682  20.327
  103    H    GLY  17           H        GLY  17  10.461  -4.651  18.881
  104   1HA   GLY  17          1HA       GLY  17  10.309  -3.664  16.748
  105   2HA   GLY  17          2HA       GLY  17  11.439  -4.933  16.285
  106    H    GLY  18           H        GLY  18   8.056  -5.158  17.338
  107   1HA   GLY  18          1HA       GLY  18   7.500  -6.768  14.906
  108   2HA   GLY  18          2HA       GLY  18   6.488  -6.706  16.345
  109    H    VAL  19           H        VAL  19   7.019  -5.432  13.234
  110    HA   VAL  19           HA       VAL  19   5.490  -3.007  13.632
  111    HB   VAL  19           HB       VAL  19   5.854  -4.285  10.932
  112   1HG1  VAL  19          1HG1      VAL  19   4.861  -1.913  11.600
  113   2HG1  VAL  19          2HG1      VAL  19   6.565  -1.463  11.652
  114   3HG1  VAL  19          3HG1      VAL  19   5.861  -2.091  10.164
  115   1HG2  VAL  19          2HG2      VAL  19   8.060  -3.144  12.673
  116   2HG2  VAL  19          3HG2      VAL  19   8.011  -4.735  11.918
  117   3HG2  VAL  19          1HG2      VAL  19   8.206  -3.294  10.925
  118    H    CYS  20           H        CYS  20   3.365  -3.103  13.991
  119    HA   CYS  20           HA       CYS  20   1.810  -5.428  13.193
  120   1HB   CYS  20          1HB       CYS  20   0.209  -4.602  14.609
  121   2HB   CYS  20          2HB       CYS  20   1.572  -3.716  15.231
  122    H    MET  21           H        MET  21   1.396  -5.700  11.119
  123    HA   MET  21           HA       MET  21   0.875  -3.404   9.353
  124   1HB   MET  21          1HB       MET  21   1.727  -6.174   9.081
  125   2HB   MET  21          2HB       MET  21   0.375  -5.862   8.001
  126   1HG   MET  21          1HG       MET  21   2.807  -4.086   8.214
  127   2HG   MET  21          2HG       MET  21   2.680  -5.393   7.069
  128   1HE   MET  21          3HE       MET  21   3.582  -2.611   6.340
  129   2HE   MET  21          1HE       MET  21   2.371  -1.429   5.840
  130   3HE   MET  21          2HE       MET  21   2.582  -1.803   7.551
  131    H    HIS  22           H        HIS  22  -0.945  -3.355   7.912
  132    HA   HIS  22           HA       HIS  22  -3.377  -4.858   8.658
  133   1HB   HIS  22          1HB       HIS  22  -3.536  -3.025  10.248
  134   2HB   HIS  22          2HB       HIS  22  -3.126  -1.840   9.001
  135    HD1  HIS  22           HD1      HIS  22  -5.567  -0.893   9.526
  136    HD2  HIS  22           HD2      HIS  22  -5.586  -4.584   7.812
  137    HE1  HIS  22           HE1      HIS  22  -7.880  -1.313   8.871
  138    H    ILE  23           H        ILE  23  -3.605  -5.543   6.535
  139    HA   ILE  23           HA       ILE  23  -3.470  -3.600   4.372
  140    HB   ILE  23           HB       ILE  23  -4.532  -6.421   4.130
  141   1HG1  ILE  23          1HG1      ILE  23  -1.631  -5.563   4.374
  142   2HG1  ILE  23          2HG1      ILE  23  -2.494  -6.659   5.445
  143   1HG2  ILE  23          1HG2      ILE  23  -4.173  -4.439   2.287
  144   2HG2  ILE  23          2HG2      ILE  23  -2.577  -5.184   2.225
  145   3HG2  ILE  23          3HG2      ILE  23  -4.012  -6.144   1.876
  146   1HD1  ILE  23          3HD1      ILE  23  -2.934  -7.895   3.064
  147   2HD1  ILE  23          1HD1      ILE  23  -1.370  -7.151   2.735
  148   3HD1  ILE  23          2HD1      ILE  23  -1.551  -8.260   4.091
  149    H    GLU  24           H        GLU  24  -5.150  -2.327   3.964
  150    HA   GLU  24           HA       GLU  24  -7.724  -2.599   5.097
  151   1HB   GLU  24          1HB       GLU  24  -6.400  -0.710   3.532
  152   2HB   GLU  24          2HB       GLU  24  -7.687  -1.256   2.462
  153   1HG   GLU  24          1HG       GLU  24  -8.106  -0.334   5.331
  154   2HG   GLU  24          2HG       GLU  24  -8.394   0.661   3.906
  155    H    SER  25           H        SER  25  -6.640  -3.490   1.813
  156    HA   SER  25           HA       SER  25  -9.032  -4.320   0.713
  157   1HB   SER  25          1HB       SER  25  -6.854  -6.334   0.381
  158   2HB   SER  25          2HB       SER  25  -7.651  -5.337  -0.852
  159    HG   SER  25           HG       SER  25  -6.089  -3.954  -0.652
  160    H    LEU  26           H        LEU  26  -6.890  -6.626   2.394
  161    HA   LEU  26           HA       LEU  26  -9.014  -8.447   2.803
  162   1HB   LEU  26          1HB       LEU  26  -6.171  -8.412   2.993
  163   2HB   LEU  26          2HB       LEU  26  -6.749  -8.827   4.599
  164    HG   LEU  26           HG       LEU  26  -8.296 -10.508   3.346
  165   1HD1  LEU  26          2HD1      LEU  26  -7.592  -9.458   1.096
  166   2HD1  LEU  26          3HD1      LEU  26  -6.075 -10.324   1.309
  167   3HD1  LEU  26          1HD1      LEU  26  -7.586 -11.219   1.187
  168   1HD2  LEU  26          1HD2      LEU  26  -5.325 -10.756   3.768
  169   2HD2  LEU  26          2HD2      LEU  26  -6.627 -11.421   4.746
  170   3HD2  LEU  26          3HD2      LEU  26  -6.263 -12.123   3.174
  171    H    ASP  27           H        ASP  27  -7.940  -5.678   4.440
  172    HA   ASP  27           HA       ASP  27  -8.481  -4.728   6.528
  173   1HB   ASP  27          1HB       ASP  27 -10.821  -5.770   5.350
  174   2HB   ASP  27          2HB       ASP  27 -10.855  -6.410   6.992
  175    H    SER  28           H        SER  28  -7.409  -7.720   6.205
  176    HA   SER  28           HA       SER  28  -8.011  -8.857   8.787
  177   1HB   SER  28          1HB       SER  28  -7.184 -10.035   6.547
  178   2HB   SER  28          2HB       SER  28  -5.570  -9.620   7.155
  179    HG   SER  28           HG       SER  28  -7.594 -11.176   8.370
  180    OH   TYR  29           OH       TYR  29  -8.921  -4.177  10.809
  181    H    TYR  29           H        TYR  29  -5.368  -9.712   9.500
  182    HA   TYR  29           HA       TYR  29  -3.873  -7.222   9.973
  183   1HB   TYR  29          1HB       TYR  29  -5.192  -8.841  12.184
  184   2HB   TYR  29          2HB       TYR  29  -4.027  -7.544  12.476
  185    HD1  TYR  29           HD2      TYR  29  -4.568  -5.272  11.303
  186    HD2  TYR  29           HD1      TYR  29  -7.466  -8.286  12.009
  187    HE1  TYR  29           HE2      TYR  29  -6.326  -3.713  10.728
  188    HE2  TYR  29           HE1      TYR  29  -9.253  -6.700  11.478
  189    HH   TYR  29           HH       TYR  29  -9.764  -4.622  10.928
  190    H    THR  30           H        THR  30  -1.766  -7.516  10.669
  191    HA   THR  30           HA       THR  30  -0.746 -10.069  11.503
  192    HB   THR  30           HB       THR  30  -1.061 -10.648   9.086
  193    HG1  THR  30           HG1      THR  30   1.530  -9.977  10.024
  194   1HG2  THR  30          2HG2      THR  30  -0.554  -7.940   8.598
  195   2HG2  THR  30          3HG2      THR  30   1.013  -8.660   8.240
  196   3HG2  THR  30          1HG2      THR  30  -0.418  -9.189   7.362
  197    H    CYS  31           H        CYS  31   1.357  -9.930  12.156
  198    HA   CYS  31           HA       CYS  31   2.595  -7.221  11.975
  199   1HB   CYS  31          1HB       CYS  31   1.766  -8.087  14.215
  200   2HB   CYS  31          2HB       CYS  31   2.999  -9.313  14.135
  201    H    ASN  32           H        ASN  32   4.753  -7.039  11.524
  202    HA   ASN  32           HA       ASN  32   6.087  -9.563  10.609
  203   1HB   ASN  32          1HB       ASN  32   5.434  -7.618   8.955
  204   2HB   ASN  32          2HB       ASN  32   6.809  -6.776   9.664
  205   1HD2  ASN  32          2HD2      ASN  32   7.532 -10.236   7.553
  206   2HD2  ASN  32          1HD2      ASN  32   6.049 -10.047   8.352
  207    H    CYS  33           H        CYS  33   7.784 -10.165  11.791
  208    HA   CYS  33           HA       CYS  33   8.982  -8.348  13.713
  209   1HB   CYS  33          1HB       CYS  33  10.226 -10.950  12.799
  210   2HB   CYS  33          2HB       CYS  33  10.288 -10.222  14.391
  211    H    VAL  34           H        VAL  34  11.790  -9.513  13.067
  212    HA   VAL  34           HA       VAL  34  12.401  -8.352  10.493
  213    HB   VAL  34           HB       VAL  34  13.914  -6.652  12.276
  214   1HG1  VAL  34          1HG1      VAL  34  13.484  -6.317   9.867
  215   2HG1  VAL  34          2HG1      VAL  34  11.781  -6.042  10.221
  216   3HG1  VAL  34          3HG1      VAL  34  12.997  -4.917  10.817
  217   1HG2  VAL  34          2HG2      VAL  34  11.698  -6.974  13.682
  218   2HG2  VAL  34          3HG2      VAL  34  12.323  -5.362  13.400
  219   3HG2  VAL  34          1HG2      VAL  34  10.991  -5.969  12.429
  220    H    ILE  35           H        ILE  35  14.914  -7.479  10.841
  221    HA   ILE  35           HA       ILE  35  16.440  -9.872  10.784
  222    HB   ILE  35           HB       ILE  35  16.916  -7.908   9.408
  223   1HG1  ILE  35          1HG1      ILE  35  19.240  -7.591  11.144
  224   2HG1  ILE  35          2HG1      ILE  35  18.835  -9.267  10.816
  225   1HG2  ILE  35          1HG2      ILE  35  17.194  -6.521  12.128
  226   2HG2  ILE  35          2HG2      ILE  35  17.805  -5.802  10.643
  227   3HG2  ILE  35          3HG2      ILE  35  16.083  -6.105  10.830
  228   1HD1  ILE  35          1HD1      ILE  35  19.120  -7.134   8.675
  229   2HD1  ILE  35          2HD1      ILE  35  20.391  -8.274   9.106
  230   3HD1  ILE  35          3HD1      ILE  35  18.882  -8.859   8.414
  231    H    GLY  36           H        GLY  36  15.437 -10.070  13.207
  232   1HA   GLY  36          1HA       GLY  36  17.224 -10.867  15.025
  233   2HA   GLY  36          2HA       GLY  36  17.371  -9.134  15.286
  234    OH   TYR  37           OH       TYR  37  14.720  -4.636  17.822
  235    H    TYR  37           H        TYR  37  14.530 -10.837  14.271
  236    HA   TYR  37           HA       TYR  37  13.300 -10.847  16.912
  237   1HB   TYR  37          1HB       TYR  37  12.274  -9.161  14.648
  238   2HB   TYR  37          2HB       TYR  37  11.476  -9.372  16.201
  239    HD1  TYR  37           HD2      TYR  37  13.242  -8.840  18.318
  240    HD2  TYR  37           HD1      TYR  37  13.775  -7.365  14.379
  241    HE1  TYR  37           HE2      TYR  37  14.091  -6.788  19.162
  242    HE2  TYR  37           HE1      TYR  37  14.436  -5.183  15.239
  243    HH   TYR  37           HH       TYR  37  15.170  -4.153  17.131
  244    H    SER  38           H        SER  38  12.476 -12.797  17.023
  245    HA   SER  38           HA       SER  38  10.583 -13.673  14.938
  246   1HB   SER  38          1HB       SER  38  11.761 -15.857  14.607
  247   2HB   SER  38          2HB       SER  38  12.860 -14.527  14.197
  248    HG   SER  38           HG       SER  38  13.993 -15.687  15.649
  249    H    GLY  39           H        GLY  39  10.414 -16.370  15.745
  250   1HA   GLY  39          1HA       GLY  39   9.887 -17.739  17.691
  251   2HA   GLY  39          2HA       GLY  39   9.773 -16.269  18.659
  252    H    ASP  40           H        ASP  40   7.619 -16.970  19.388
  253    HA   ASP  40           HA       ASP  40   5.453 -17.665  17.729
  254   1HB   ASP  40          1HB       ASP  40   5.441 -15.797  20.161
  255   2HB   ASP  40          2HB       ASP  40   4.009 -16.581  19.494
  256    NH1  ARG  41           NH1      ARG  41   0.649 -11.844  22.634
  257    NH2  ARG  41           NH2      ARG  41   2.157 -10.135  22.773
  258    H    ARG  41           H        ARG  41   4.916 -14.490  19.064
  259    HA   ARG  41           HA       ARG  41   4.188 -13.552  16.408
  260   1HB   ARG  41          1HB       ARG  41   4.830 -11.459  18.456
  261   2HB   ARG  41          2HB       ARG  41   3.364 -11.652  17.497
  262   1HG   ARG  41          1HG       ARG  41   2.544 -13.393  19.011
  263   2HG   ARG  41          2HG       ARG  41   4.033 -13.299  19.962
  264   1HD   ARG  41          1HD       ARG  41   3.375 -10.706  20.055
  265   2HD   ARG  41          2HD       ARG  41   1.778 -11.371  19.767
  266    HE   ARG  41           HE       ARG  41   3.142 -12.708  21.927
  267   1HH1  ARG  41          1HH1      ARG  41   0.405 -12.744  22.273
  268   2HH1  ARG  41          2HH1      ARG  41   0.009 -11.351  23.223
  269   1HH2  ARG  41          1HH2      ARG  41   3.046  -9.753  22.516
  270   2HH2  ARG  41          2HH2      ARG  41   1.543  -9.615  23.367
  271    H    CYS  42           H        CYS  42   6.601 -12.541  18.758
  272    HA   CYS  42           HA       CYS  42   8.867 -12.702  17.052
  273   1HB   CYS  42          1HB       CYS  42   8.021  -9.880  17.709
  274   2HB   CYS  42          2HB       CYS  42   9.395 -10.367  16.737
  275    H    GLN  43           H        GLN  43   7.902 -13.297  19.721
  276    HA   GLN  43           HA       GLN  43   9.110 -11.551  21.658
  277   1HB   GLN  43          1HB       GLN  43   8.705 -13.371  23.239
  278   2HB   GLN  43          2HB       GLN  43   7.331 -13.273  22.153
  279   1HG   GLN  43          1HG       GLN  43   8.190 -15.153  20.824
  280   2HG   GLN  43          2HG       GLN  43   9.623 -15.254  21.843
  281   1HE2  GLN  43          2HE2      GLN  43   6.038 -16.485  23.420
  282   2HE2  GLN  43          1HE2      GLN  43   6.034 -15.351  22.157
  283    H    THR  44           H        THR  44  11.049 -12.501  19.491
  284    HA   THR  44           HA       THR  44  13.082 -13.352  21.435
  285    HB   THR  44           HB       THR  44  13.422 -14.669  18.808
  286    HG1  THR  44           HG1      THR  44  11.551 -15.744  18.885
  287   1HG2  THR  44          3HG2      THR  44  12.972 -15.697  21.656
  288   2HG2  THR  44          1HG2      THR  44  13.584 -16.657  20.315
  289   3HG2  THR  44          2HG2      THR  44  14.561 -15.356  20.985
  290    NH1  ARG  45           NH2      ARG  45  14.113  -7.588  23.771
  291    NH2  ARG  45           NH1      ARG  45  15.304  -5.752  24.435
  292    H    ARG  45           H        ARG  45  14.196 -11.502  21.460
  293    HA   ARG  45           HA       ARG  45  15.093 -10.154  19.045
  294   1HB   ARG  45          1HB       ARG  45  14.475  -9.250  21.403
  295   2HB   ARG  45          2HB       ARG  45  16.046  -9.834  21.923
  296   1HG   ARG  45          1HG       ARG  45  17.189  -8.237  20.723
  297   2HG   ARG  45          2HG       ARG  45  15.958  -8.121  19.483
  298   1HD   ARG  45          1HD       ARG  45  15.823  -6.087  20.769
  299   2HD   ARG  45          2HD       ARG  45  14.438  -7.066  21.246
  300    HE   ARG  45           HE       ARG  45  16.932  -7.135  22.886
  301   1HH1  ARG  45          1HH2      ARG  45  14.009  -8.361  23.145
  302   2HH1  ARG  45          2HH2      ARG  45  13.445  -7.442  24.499
  303   1HH2  ARG  45          1HH1      ARG  45  16.093  -5.152  24.307
  304   2HH2  ARG  45          2HH1      ARG  45  14.653  -5.574  25.172
  305    H    ASP  46           H        ASP  46  16.594 -11.562  17.946
  306    HA   ASP  46           HA       ASP  46  18.690 -12.896  19.603
  307   1HB   ASP  46          1HB       ASP  46  17.861 -13.287  16.702
  308   2HB   ASP  46          2HB       ASP  46  19.123 -14.213  17.512
  309    H    LEU  47           H        LEU  47  20.850 -13.089  18.811
  310    HA   LEU  47           HA       LEU  47  22.198 -10.645  18.423
  311   1HB   LEU  47          1HB       LEU  47  22.935 -13.541  18.050
  312   2HB   LEU  47          2HB       LEU  47  24.095 -12.277  17.656
  313    HG   LEU  47           HG       LEU  47  22.676 -12.113  20.289
  314   1HD1  LEU  47          1HD1      LEU  47  24.728 -14.165  19.497
  315   2HD1  LEU  47          2HD1      LEU  47  24.760 -13.499  21.130
  316   3HD1  LEU  47          3HD1      LEU  47  23.327 -14.348  20.547
  317   1HD2  LEU  47          1HD2      LEU  47  24.364 -10.421  19.286
  318   2HD2  LEU  47          2HD2      LEU  47  24.656 -10.952  20.940
  319   3HD2  LEU  47          3HD2      LEU  47  25.590 -11.641  19.617
  320    NH1  ARG  48           NH1      ARG  48  18.723 -14.857  13.237
  321    NH2  ARG  48           NH2      ARG  48  17.024 -14.797  14.765
  322    H    ARG  48           H        ARG  48  21.664  -9.402  16.689
  323    HA   ARG  48           HA       ARG  48  22.935  -9.676  14.316
  324   1HB   ARG  48          1HB       ARG  48  20.937 -10.196  12.802
  325   2HB   ARG  48          2HB       ARG  48  21.711 -11.526  13.611
  326   1HG   ARG  48          1HG       ARG  48  19.659 -10.476  15.367
  327   2HG   ARG  48          2HG       ARG  48  18.987 -10.676  13.749
  328   1HD   ARG  48          1HD       ARG  48  20.310 -13.074  14.005
  329   2HD   ARG  48          2HD       ARG  48  19.865 -12.755  15.674
  330    HE   ARG  48           HE       ARG  48  17.522 -12.303  14.283
  331   1HH1  ARG  48          1HH1      ARG  48  19.458 -14.379  12.755
  332   2HH1  ARG  48          2HH1      ARG  48  18.548 -15.823  13.050
  333   1HH2  ARG  48          1HH2      ARG  48  16.485 -14.274  15.426
  334   2HH2  ARG  48          2HH2      ARG  48  16.821 -15.763  14.607
  335    CH2  TRP  49           CH2      TRP  49  16.729  -2.353  12.366
  336    H    TRP  49           H        TRP  49  19.570  -8.876  14.654
  337    HA   TRP  49           HA       TRP  49  19.441  -6.630  13.231
  338   1HB   TRP  49          1HB       TRP  49  17.385  -7.158  14.375
  339   2HB   TRP  49          2HB       TRP  49  18.201  -7.115  15.932
  340    HD1  TRP  49           HD1      TRP  49  16.652  -5.533  16.954
  341    HE1  TRP  49           HE1      TRP  49  15.492  -3.457  16.176
  342    HE3  TRP  49           HE3      TRP  49  19.087  -4.707  12.657
  343    HZ2  TRP  49           HZ2      TRP  49  15.216  -2.004  13.822
  344    HZ3  TRP  49           HZ3      TRP  49  18.251  -3.060  11.054
  345    HH2  TRP  49           HH2      TRP  49  16.392  -1.581  11.688
  346    CH2  TRP  50           CH2      TRP  50  20.589  -9.425  19.881
  347    H    TRP  50           H        TRP  50  19.938  -6.351  16.620
  348    HA   TRP  50           HA       TRP  50  21.190  -3.726  16.240
  349   1HB   TRP  50          1HB       TRP  50  21.785  -4.498  18.892
  350   2HB   TRP  50          2HB       TRP  50  20.414  -3.522  18.402
  351    HD1  TRP  50           HD1      TRP  50  18.013  -4.688  18.422
  352    HE1  TRP  50           HE1      TRP  50  17.325  -7.103  18.595
  353    HE3  TRP  50           HE3      TRP  50  22.407  -6.623  19.538
  354    HZ2  TRP  50           HZ2      TRP  50  18.556  -9.635  19.293
  355    HZ3  TRP  50           HZ3      TRP  50  22.648  -8.962  20.216
  356    HH2  TRP  50           HH2      TRP  50  20.688 -10.450  20.211
  357    H    GLU  51           H        GLU  51  22.982  -4.095  15.062
  358    HA   GLU  51           HA       GLU  51  24.906  -5.985  15.139
  359   1HB   GLU  51          1HB       GLU  51  25.137  -2.985  14.834
  360   2HB   GLU  51          2HB       GLU  51  26.557  -4.013  14.673
  361   1HG   GLU  51          1HG       GLU  51  25.494  -5.279  12.876
  362   2HG   GLU  51          2HG       GLU  51  23.986  -4.396  13.101
  363    H    LEU  52           H        LEU  52  26.235  -6.835  16.555
  364    HA   LEU  52           HA       LEU  52  27.442  -7.201  18.517
  365   1HB   LEU  52          1HB       LEU  52  27.939  -4.203  18.373
  366   2HB   LEU  52          2HB       LEU  52  28.973  -5.412  19.125
  367    HG   LEU  52           HG       LEU  52  28.331  -5.213  16.165
  368   1HD1  LEU  52          2HD1      LEU  52  30.089  -3.689  17.564
  369   2HD1  LEU  52          3HD1      LEU  52  31.106  -5.088  17.236
  370   3HD1  LEU  52          1HD1      LEU  52  30.379  -4.196  15.902
  371   1HD2  LEU  52          2HD2      LEU  52  29.724  -7.274  17.859
  372   2HD2  LEU  52          3HD2      LEU  52  28.615  -7.515  16.510
  373   3HD2  LEU  52          1HD2      LEU  52  30.275  -7.003  16.207
  374    NH1  ARG  53           NH2      ARG  53  32.529  -4.790  23.402
  375    NH2  ARG  53           NH1      ARG  53  32.582  -6.536  24.875
  376    H    ARG  53           H        ARG  53  27.621  -6.858  20.759
  377    HA   ARG  53           HA       ARG  53  25.335  -6.688  22.195
  378   1HB   ARG  53          1HB       ARG  53  27.085  -5.574  24.000
  379   2HB   ARG  53          2HB       ARG  53  27.065  -7.288  23.607
  380   1HG   ARG  53          1HG       ARG  53  28.852  -7.055  22.035
  381   2HG   ARG  53          2HG       ARG  53  28.705  -5.300  22.015
  382   1HD   ARG  53          1HD       ARG  53  29.643  -5.083  24.185
  383   2HD   ARG  53          2HD       ARG  53  29.361  -6.780  24.567
  384    HE   ARG  53           HE       ARG  53  31.102  -7.036  22.518
  385   1HH1  ARG  53          1HH2      ARG  53  32.099  -4.344  22.617
  386   2HH1  ARG  53                 ARG  53  33.328  -4.375  23.836
  387   1HH2  ARG  53          1HH1      ARG  53  32.191  -7.396  25.197
  388   2HH2  ARG  53          2HH1      ARG  53  33.387  -6.152  25.328
   
  Start of MODEL           4
 Raw file had 388 H/Q atoms
  Start of MODEL    4
    1   1H    ASN   1          1H        ASN   1  -3.215   4.777   3.699
    2   2H    ASN   1          2H        ASN   1  -3.287   5.339   2.098
    3   3H    ASN   1          3H        ASN   1  -4.679   5.365   3.072
    4    HA   ASN   1           HA       ASN   1  -5.236   3.346   2.457
    5   1HB   ASN   1          1HB       ASN   1  -2.907   3.990   0.707
    6   2HB   ASN   1          2HB       ASN   1  -3.295   2.274   0.817
    7   1HD2  ASN   1          2HD2      ASN   1  -5.588   4.629  -1.460
    8   2HD2  ASN   1          1HD2      ASN   1  -4.078   5.103  -0.848
    9    H    SER   2           H        SER   2  -4.702   1.011   2.599
   10    HA   SER   2           HA       SER   2  -3.909  -0.769   3.900
   11   1HB   SER   2          1HB       SER   2  -1.798   0.118   2.502
   12   2HB   SER   2          2HB       SER   2  -1.227   0.612   4.109
   13    HG   SER   2           HG       SER   2  -0.864  -1.415   4.498
   14    OH   TYR   3           OH       TYR   3  -8.534   4.219  11.291
   15    H    TYR   3           H        TYR   3  -4.699   1.931   5.172
   16    HA   TYR   3           HA       TYR   3  -4.618   2.968   7.259
   17   1HB   TYR   3          1HB       TYR   3  -5.721   0.463   7.346
   18   2HB   TYR   3          2HB       TYR   3  -4.549   0.385   8.659
   19    HD1  TYR   3           HD1      TYR   3  -4.626   2.080  10.486
   20    HD2  TYR   3           HD2      TYR   3  -7.627   1.927   7.485
   21    HE1  TYR   3           HE1      TYR   3  -6.101   3.436  11.904
   22    HE2  TYR   3           HE2      TYR   3  -9.115   3.279   8.904
   23    HH   TYR   3           HH       TYR   3  -8.468   5.130  10.993
   24    HA   PRO   4           HA       PRO   4  -0.209   2.562   8.314
   25   1HB   PRO   4          1HB       PRO   4  -0.342   4.941   9.924
   26   2HB   PRO   4          2HB       PRO   4   0.365   4.785   8.317
   27   1HG   PRO   4          1HG       PRO   4  -2.088   6.132   9.048
   28   2HG   PRO   4          2HG       PRO   4  -1.362   6.001   7.446
   29   1HD   PRO   4          2HD       PRO   4  -3.690   4.614   8.475
   30   2HD   PRO   4          1HD       PRO   4  -2.999   4.527   6.839
   31    H    GLY   5           H        GLY   5  -0.230   0.906   9.736
   32   1HA   GLY   5          1HA       GLY   5   0.273   0.357  12.088
   33   2HA   GLY   5          2HA       GLY   5  -0.933   1.543  12.569
   34    H    CYS   6           H        CYS   6  -2.004  -0.068  13.816
   35    HA   CYS   6           HA       CYS   6  -3.799  -1.760  12.214
   36   1HB   CYS   6          1HB       CYS   6  -3.404  -3.576  14.022
   37   2HB   CYS   6          2HB       CYS   6  -2.114  -3.340  12.865
   38    HA   PRO   7           HA       PRO   7  -7.027  -0.271  14.840
   39   1HB   PRO   7          1HB       PRO   7  -7.519  -3.120  15.663
   40   2HB   PRO   7          2HB       PRO   7  -8.649  -1.963  14.942
   41   1HG   PRO   7          1HG       PRO   7  -7.334  -4.073  13.589
   42   2HG   PRO   7          2HG       PRO   7  -8.158  -2.717  12.813
   43   1HD   PRO   7          2HD       PRO   7  -5.336  -3.267  12.866
   44   2HD   PRO   7          1HD       PRO   7  -6.142  -1.870  12.125
   45    H    SER   8           H        SER   8  -6.351   0.725  16.652
   46    HA   SER   8           HA       SER   8  -4.393   0.032  18.435
   47   1HB   SER   8          1HB       SER   8  -7.043   1.258  19.318
   48   2HB   SER   8          2HB       SER   8  -5.445   1.497  20.062
   49    HG   SER   8           HG       SER   8  -4.905   2.050  17.699
   50    H    SER   9           H        SER   9  -7.514  -1.500  18.239
   51    HA   SER   9           HA       SER   9  -7.778  -2.589  20.806
   52   1HB   SER   9          1HB       SER   9  -9.227  -3.021  18.648
   53   2HB   SER   9          2HB       SER   9  -8.083  -4.338  18.323
   54    HG   SER   9           HG       SER   9 -10.082  -4.288  20.077
   55    OH   TYR  10           OH       TYR  10  -5.603  -8.403  14.657
   56    H    TYR  10           H        TYR  10  -5.329  -2.974  18.535
   57    HA   TYR  10           HA       TYR  10  -4.254  -5.471  19.528
   58   1HB   TYR  10          1HB       TYR  10  -3.506  -3.396  17.464
   59   2HB   TYR  10          2HB       TYR  10  -2.271  -4.530  18.009
   60    HD1  TYR  10           HD2      TYR  10  -3.037  -7.017  18.103
   61    HD2  TYR  10           HD1      TYR  10  -4.937  -4.064  15.739
   62    HE1  TYR  10           HE2      TYR  10  -3.930  -8.778  16.663
   63    HE2  TYR  10           HE1      TYR  10  -5.917  -5.788  14.336
   64    HH   TYR  10           HH       TYR  10  -6.314  -8.791  15.171
   65    H    ASP  11           H        ASP  11  -2.504  -2.499  18.975
   66    HA   ASP  11           HA       ASP  11  -0.593  -1.745  20.143
   67   1HB   ASP  11          1HB       ASP  11  -2.963  -0.770  20.820
   68   2HB   ASP  11          2HB       ASP  11  -2.585  -1.516  22.376
   69    H    GLY  12           H        GLY  12  -1.006  -4.665  20.502
   70   1HA   GLY  12          1HA       GLY  12   0.707  -4.908  22.883
   71   2HA   GLY  12          2HA       GLY  12  -0.838  -5.736  22.985
   72    OH   TYR  13           OH       TYR  13   0.475 -11.352  14.191
   73    H    TYR  13           H        TYR  13  -0.929  -6.624  20.193
   74    HA   TYR  13           HA       TYR  13   1.026  -8.813  20.511
   75   1HB   TYR  13          1HB       TYR  13  -0.892  -9.853  19.926
   76   2HB   TYR  13          2HB       TYR  13  -1.565  -8.438  19.137
   77    HD1  TYR  13           HD1      TYR  13   1.225 -10.919  18.632
   78    HD2  TYR  13           HD2      TYR  13  -1.695  -8.416  16.849
   79    HE1  TYR  13           HE1      TYR  13   1.645 -11.974  16.473
   80    HE2  TYR  13           HE2      TYR  13  -1.323  -9.481  14.693
   81    HH   TYR  13           HH       TYR  13   0.334 -12.298  14.267
   82    H    CYS  14           H        CYS  14   2.805  -7.942  20.039
   83    HA   CYS  14           HA       CYS  14   3.874  -8.105  17.458
   84   1HB   CYS  14          1HB       CYS  14   2.884  -5.392  18.258
   85   2HB   CYS  14          2HB       CYS  14   4.450  -5.463  17.491
   86    H    LEU  15           H        LEU  15   5.446  -9.125  18.451
   87    HA   LEU  15           HA       LEU  15   6.864  -7.976  20.742
   88   1HB   LEU  15          1HB       LEU  15   6.640 -10.547  19.331
   89   2HB   LEU  15          2HB       LEU  15   8.193 -10.226  20.081
   90    HG   LEU  15           HG       LEU  15   7.170  -9.818  22.214
   91   1HD1  LEU  15          1HD1      LEU  15   4.656  -9.747  20.611
   92   2HD1  LEU  15          2HD1      LEU  15   4.523 -10.379  22.237
   93   3HD1  LEU  15          3HD1      LEU  15   5.137  -8.759  21.976
   94   1HD2  LEU  15          3HD2      LEU  15   6.864 -12.298  20.745
   95   2HD2  LEU  15          1HD2      LEU  15   7.394 -12.043  22.404
   96   3HD2  LEU  15          2HD2      LEU  15   5.679 -12.198  22.036
   97    H    ASN  16           H        ASN  16   8.895  -7.657  20.932
   98    HA   ASN  16           HA       ASN  16  10.781  -6.362  20.189
   99   1HB   ASN  16          1HB       ASN  16  11.259  -8.914  18.705
  100   2HB   ASN  16          2HB       ASN  16  12.310  -8.033  19.810
  101   1HD2  ASN  16          2HD2      ASN  16  10.586 -11.050  21.448
  102   2HD2  ASN  16          1HD2      ASN  16  11.325 -10.902  19.920
  103    H    GLY  17           H        GLY  17  10.447  -4.731  18.795
  104   1HA   GLY  17          1HA       GLY  17  10.193  -3.610  16.740
  105   2HA   GLY  17          2HA       GLY  17  11.420  -4.752  16.205
  106    H    GLY  18           H        GLY  18   8.092  -5.444  17.214
  107   1HA   GLY  18          1HA       GLY  18   7.711  -6.899  14.678
  108   2HA   GLY  18          2HA       GLY  18   6.620  -6.938  16.059
  109    H    VAL  19           H        VAL  19   7.250  -5.550  13.020
  110    HA   VAL  19           HA       VAL  19   5.728  -3.146  13.372
  111    HB   VAL  19           HB       VAL  19   6.076  -4.590  10.735
  112   1HG1  VAL  19          1HG1      VAL  19   4.833  -2.328  11.112
  113   2HG1  VAL  19          2HG1      VAL  19   6.446  -1.655  11.326
  114   3HG1  VAL  19          3HG1      VAL  19   6.008  -2.423   9.803
  115   1HG2  VAL  19          2HG2      VAL  19   8.164  -3.192  12.419
  116   2HG2  VAL  19          3HG2      VAL  19   8.270  -4.774  11.654
  117   3HG2  VAL  19          1HG2      VAL  19   8.327  -3.316  10.670
  118    H    CYS  20           H        CYS  20   3.642  -2.994  13.586
  119    HA   CYS  20           HA       CYS  20   1.945  -5.316  12.963
  120   1HB   CYS  20          1HB       CYS  20   0.591  -4.514  14.609
  121   2HB   CYS  20          2HB       CYS  20   1.989  -3.572  15.050
  122    H    MET  21           H        MET  21   1.238  -5.469  10.935
  123    HA   MET  21           HA       MET  21   0.498  -2.944   9.530
  124   1HB   MET  21          1HB       MET  21   0.624  -4.427   7.448
  125   2HB   MET  21          2HB       MET  21   2.153  -4.178   8.281
  126   1HG   MET  21          1HG       MET  21   1.917  -6.299   9.428
  127   2HG   MET  21          2HG       MET  21   0.333  -6.530   8.730
  128   1HE   MET  21          3HE       MET  21  -0.114  -6.452   6.387
  129   2HE   MET  21          1HE       MET  21   1.166  -5.694   5.440
  130   3HE   MET  21          2HE       MET  21   0.776  -7.397   5.191
  131    H    HIS  22           H        HIS  22  -1.293  -3.111   8.018
  132    HA   HIS  22           HA       HIS  22  -3.485  -4.960   8.864
  133   1HB   HIS  22          1HB       HIS  22  -3.807  -2.968  10.196
  134   2HB   HIS  22          2HB       HIS  22  -3.497  -1.921   8.819
  135    HD1  HIS  22           HD1      HIS  22  -5.956  -1.112   9.537
  136    HD2  HIS  22           HD2      HIS  22  -5.858  -4.823   7.868
  137    HE1  HIS  22           HE1      HIS  22  -8.271  -1.650   9.016
  138    H    ILE  23           H        ILE  23  -3.972  -5.922   6.917
  139    HA   ILE  23           HA       ILE  23  -3.763  -4.418   4.443
  140    HB   ILE  23           HB       ILE  23  -5.150  -7.085   4.760
  141   1HG1  ILE  23          1HG1      ILE  23  -2.325  -7.262   3.990
  142   2HG1  ILE  23          2HG1      ILE  23  -2.525  -6.702   5.639
  143   1HG2  ILE  23          3HG2      ILE  23  -5.220  -5.918   2.563
  144   2HG2  ILE  23          1HG2      ILE  23  -3.463  -5.833   2.551
  145   3HG2  ILE  23          2HG2      ILE  23  -4.269  -7.396   2.444
  146   1HD1  ILE  23          3HD1      ILE  23  -3.917  -9.145   4.510
  147   2HD1  ILE  23          1HD1      ILE  23  -2.415  -9.206   5.424
  148   3HD1  ILE  23          2HD1      ILE  23  -3.890  -8.631   6.192
  149    H    GLU  24           H        GLU  24  -5.248  -2.884   4.245
  150    HA   GLU  24           HA       GLU  24  -7.829  -2.792   5.345
  151   1HB   GLU  24          1HB       GLU  24  -6.291  -1.258   3.483
  152   2HB   GLU  24          2HB       GLU  24  -7.860  -1.538   2.735
  153   1HG   GLU  24          1HG       GLU  24  -8.972  -0.754   4.831
  154   2HG   GLU  24          2HG       GLU  24  -7.388  -0.403   5.517
  155    H    SER  25           H        SER  25  -6.920  -3.937   2.096
  156    HA   SER  25           HA       SER  25  -9.411  -4.518   1.061
  157   1HB   SER  25          1HB       SER  25  -7.099  -6.509   0.932
  158   2HB   SER  25          2HB       SER  25  -8.312  -6.175  -0.320
  159    HG   SER  25           HG       SER  25  -7.307  -4.385  -0.833
  160    H    LEU  26           H        LEU  26  -7.533  -7.074   2.670
  161    HA   LEU  26           HA       LEU  26  -9.903  -8.568   3.207
  162   1HB   LEU  26          1HB       LEU  26  -6.971  -8.859   3.688
  163   2HB   LEU  26          2HB       LEU  26  -8.023  -9.776   4.758
  164    HG   LEU  26           HG       LEU  26  -9.170 -10.742   2.767
  165   1HD1  LEU  26          3HD1      LEU  26  -7.052  -9.141   1.293
  166   2HD1  LEU  26          1HD1      LEU  26  -8.018 -10.410   0.545
  167   3HD1  LEU  26          2HD1      LEU  26  -8.799  -8.956   1.159
  168   1HD2  LEU  26          1HD2      LEU  26  -6.566 -11.300   3.738
  169   2HD2  LEU  26          2HD2      LEU  26  -7.646 -12.408   2.894
  170   3HD2  LEU  26          3HD2      LEU  26  -6.477 -11.452   1.986
  171    H    ASP  27           H        ASP  27  -8.789  -5.864   4.664
  172    HA   ASP  27           HA       ASP  27  -9.023  -4.941   6.821
  173   1HB   ASP  27          1HB       ASP  27 -11.438  -6.657   6.285
  174   2HB   ASP  27          2HB       ASP  27 -11.239  -6.031   7.919
  175    H    SER  28           H        SER  28  -7.794  -7.820   6.455
  176    HA   SER  28           HA       SER  28  -8.185  -9.002   9.058
  177   1HB   SER  28          1HB       SER  28  -6.162  -9.521   6.828
  178   2HB   SER  28          2HB       SER  28  -6.290 -10.525   8.286
  179    HG   SER  28           HG       SER  28  -7.992 -11.400   7.445
  180    OH   TYR  29           OH       TYR  29  -9.068  -4.177  10.873
  181    H    TYR  29           H        TYR  29  -5.556  -9.750   9.745
  182    HA   TYR  29           HA       TYR  29  -4.019  -7.267  10.114
  183   1HB   TYR  29          1HB       TYR  29  -5.316  -8.767  12.426
  184   2HB   TYR  29          2HB       TYR  29  -4.155  -7.450  12.621
  185    HD1  TYR  29           HD2      TYR  29  -4.713  -5.230  11.450
  186    HD2  TYR  29           HD1      TYR  29  -7.607  -8.260  12.153
  187    HE1  TYR  29           HE2      TYR  29  -6.488  -3.700  10.828
  188    HE2  TYR  29           HE1      TYR  29  -9.396  -6.691  11.581
  189    HH   TYR  29           HH       TYR  29  -8.672  -3.447  10.390
  190    H    THR  30           H        THR  30  -1.916  -7.585  10.819
  191    HA   THR  30           HA       THR  30  -1.000 -10.105  11.845
  192    HB   THR  30           HB       THR  30  -1.405 -10.862   9.489
  193    HG1  THR  30           HG1      THR  30   0.446 -11.845   9.668
  194   1HG2  THR  30          2HG2      THR  30  -0.964  -8.455   8.527
  195   2HG2  THR  30          3HG2      THR  30   0.744  -8.837   8.717
  196   3HG2  THR  30          1HG2      THR  30  -0.256  -9.797   7.633
  197    H    CYS  31           H        CYS  31   1.089 -10.016  12.508
  198    HA   CYS  31           HA       CYS  31   2.461  -7.387  12.145
  199   1HB   CYS  31          1HB       CYS  31   1.615  -8.097  14.468
  200   2HB   CYS  31          2HB       CYS  31   2.812  -9.362  14.420
  201    H    ASN  32           H        ASN  32   4.543  -7.316  11.554
  202    HA   ASN  32           HA       ASN  32   5.850  -9.936  10.918
  203   1HB   ASN  32          1HB       ASN  32   5.180  -8.164   9.062
  204   2HB   ASN  32          2HB       ASN  32   6.602  -7.294   9.633
  205   1HD2  ASN  32          2HD2      ASN  32   7.315 -11.077   8.169
  206   2HD2  ASN  32          1HD2      ASN  32   5.969 -10.818   9.170
  207    H    CYS  33           H        CYS  33   7.982 -10.233  11.434
  208    HA   CYS  33           HA       CYS  33   9.006  -8.439  13.537
  209   1HB   CYS  33          1HB       CYS  33  10.483 -10.840  12.548
  210   2HB   CYS  33          2HB       CYS  33  10.325 -10.264  14.195
  211    H    VAL  34           H        VAL  34  11.812  -9.281  12.958
  212    HA   VAL  34           HA       VAL  34  12.457  -8.114  10.380
  213    HB   VAL  34           HB       VAL  34  13.862  -6.441  12.324
  214   1HG1  VAL  34          2HG1      VAL  34  12.009  -5.851  10.003
  215   2HG1  VAL  34          3HG1      VAL  34  13.058  -4.676  10.789
  216   3HG1  VAL  34          1HG1      VAL  34  13.760  -6.034   9.916
  217   1HG2  VAL  34          2HG2      VAL  34  11.435  -6.736  13.419
  218   2HG2  VAL  34          3HG2      VAL  34  12.191  -5.164  13.310
  219   3HG2  VAL  34          1HG2      VAL  34  10.976  -5.640  12.124
  220    H    ILE  35           H        ILE  35  14.979  -7.259  10.829
  221    HA   ILE  35           HA       ILE  35  16.468  -9.689  10.870
  222    HB   ILE  35           HB       ILE  35  17.078  -7.827   9.474
  223   1HG1  ILE  35          1HG1      ILE  35  19.245  -7.388  11.425
  224   2HG1  ILE  35          2HG1      ILE  35  18.904  -9.072  11.065
  225   1HG2  ILE  35          1HG2      ILE  35  16.812  -6.337  12.093
  226   2HG2  ILE  35          2HG2      ILE  35  17.872  -5.658  10.860
  227   3HG2  ILE  35          3HG2      ILE  35  16.166  -5.910  10.519
  228   1HD1  ILE  35          1HD1      ILE  35  19.334  -6.942   8.950
  229   2HD1  ILE  35          2HD1      ILE  35  20.581  -8.060   9.488
  230   3HD1  ILE  35          3HD1      ILE  35  19.144  -8.669   8.673
  231    H    GLY  36           H        GLY  36  15.443  -9.961  13.248
  232   1HA   GLY  36          1HA       GLY  36  17.304 -10.568  15.087
  233   2HA   GLY  36          2HA       GLY  36  17.206  -8.862  15.358
  234    OH   TYR  37           OH       TYR  37  14.670  -4.681  18.063
  235    H    TYR  37           H        TYR  37  14.533 -10.392  14.165
  236    HA   TYR  37           HA       TYR  37  13.251 -10.872  16.743
  237   1HB   TYR  37          1HB       TYR  37  12.182  -9.029  14.598
  238   2HB   TYR  37          2HB       TYR  37  11.430  -9.345  16.156
  239    HD1  TYR  37           HD2      TYR  37  13.408  -8.998  18.183
  240    HD2  TYR  37           HD1      TYR  37  13.390  -7.031  14.441
  241    HE1  TYR  37           HE2      TYR  37  14.319  -7.037  19.204
  242    HE2  TYR  37           HE1      TYR  37  14.099  -4.930  15.457
  243    HH   TYR  37           HH       TYR  37  14.663  -4.842  19.009
  244    H    SER  38           H        SER  38  12.472 -12.889  16.511
  245    HA   SER  38           HA       SER  38  10.694 -13.506  14.317
  246   1HB   SER  38          1HB       SER  38  12.536 -15.490  13.689
  247   2HB   SER  38          2HB       SER  38  12.463 -13.937  12.845
  248    HG   SER  38           HG       SER  38  14.281 -13.454  13.748
  249    H    GLY  39           H        GLY  39  11.065 -16.321  14.249
  250   1HA   GLY  39          1HA       GLY  39  10.971 -18.260  15.692
  251   2HA   GLY  39          2HA       GLY  39  10.812 -17.180  17.079
  252    H    ASP  40           H        ASP  40   8.893 -18.127  17.873
  253    HA   ASP  40           HA       ASP  40   6.620 -18.921  16.484
  254   1HB   ASP  40          1HB       ASP  40   6.931 -18.952  19.001
  255   2HB   ASP  40          2HB       ASP  40   6.653 -17.213  19.031
  256    NH1  ARG  41           NH2      ARG  41   3.212 -14.341  20.709
  257    NH2  ARG  41           NH1      ARG  41   2.773 -12.348  21.736
  258    H    ARG  41           H        ARG  41   6.205 -15.855  18.146
  259    HA   ARG  41           HA       ARG  41   4.865 -14.790  15.762
  260   1HB   ARG  41          1HB       ARG  41   3.614 -14.308  17.760
  261   2HB   ARG  41          2HB       ARG  41   5.063 -14.144  18.738
  262   1HG   ARG  41          1HG       ARG  41   5.492 -11.969  17.437
  263   2HG   ARG  41          2HG       ARG  41   3.856 -12.123  16.853
  264   1HD   ARG  41          1HD       ARG  41   4.819 -11.800  19.688
  265   2HD   ARG  41          2HD       ARG  41   3.757 -10.732  18.772
  266    HE   ARG  41           HE       ARG  41   2.019 -12.466  19.015
  267   1HH1  ARG  41          1HH2      ARG  41   3.345 -14.857  19.863
  268   2HH1  ARG  41          2HH2      ARG  41   3.280 -14.801  21.593
  269   1HH2  ARG  41          1HH1      ARG  41   2.577 -11.369  21.659
  270   2HH2  ARG  41          2HH1      ARG  41   2.832 -12.777  22.636
  271    H    CYS  42           H        CYS  42   7.110 -13.575  18.164
  272    HA   CYS  42           HA       CYS  42   9.335 -13.048  16.487
  273   1HB   CYS  42          1HB       CYS  42   7.869 -10.538  17.325
  274   2HB   CYS  42          2HB       CYS  42   9.332 -10.639  16.371
  275    H    GLN  43           H        GLN  43   8.468 -14.012  19.094
  276    HA   GLN  43           HA       GLN  43   9.307 -12.131  21.104
  277   1HB   GLN  43          1HB       GLN  43   9.322 -14.136  22.592
  278   2HB   GLN  43          2HB       GLN  43   7.877 -14.151  21.594
  279   1HG   GLN  43          1HG       GLN  43   9.089 -15.654  19.969
  280   2HG   GLN  43          2HG       GLN  43  10.401 -15.765  21.138
  281   1HE2  GLN  43          2HE2      GLN  43   7.531 -18.369  21.566
  282   2HE2  GLN  43          1HE2      GLN  43   8.076 -17.669  20.118
  283    H    THR  44           H        THR  44  11.002 -14.032  18.851
  284    HA   THR  44           HA       THR  44  13.346 -14.480  20.459
  285    HB   THR  44           HB       THR  44  13.279 -14.577  17.415
  286    HG1  THR  44           HG1      THR  44  11.603 -15.689  19.085
  287   1HG2  THR  44          2HG2      THR  44  15.407 -15.130  18.816
  288   2HG2  THR  44          3HG2      THR  44  14.484 -16.454  19.518
  289   3HG2  THR  44          1HG2      THR  44  14.834 -16.442  17.793
  290    NH1  ARG  45           NH1      ARG  45  12.468  -6.395  23.128
  291    NH2  ARG  45           NH2      ARG  45  12.564  -7.889  24.854
  292    H    ARG  45           H        ARG  45  13.903 -12.431  21.209
  293    HA   ARG  45           HA       ARG  45  14.937 -10.444  19.241
  294   1HB   ARG  45          1HB       ARG  45  13.465  -9.629  21.049
  295   2HB   ARG  45          2HB       ARG  45  14.435 -10.450  22.269
  296   1HG   ARG  45          1HG       ARG  45  16.209  -8.982  22.034
  297   2HG   ARG  45          2HG       ARG  45  15.757  -8.548  20.394
  298   1HD   ARG  45          1HD       ARG  45  15.241  -6.665  21.882
  299   2HD   ARG  45          2HD       ARG  45  13.737  -7.379  21.329
  300    HE   ARG  45           HE       ARG  45  14.807  -8.315  23.927
  301   1HH1  ARG  45          1HH1      ARG  45  12.883  -6.003  22.308
  302   2HH1  ARG  45          2HH1      ARG  45  11.586  -6.049  23.453
  303   1HH2  ARG  45          1HH2      ARG  45  13.053  -8.620  25.329
  304   2HH2  ARG  45          2HH2      ARG  45  11.686  -7.561  25.208
  305    H    ASP  46           H        ASP  46  16.741 -11.923  18.715
  306    HA   ASP  46           HA       ASP  46  18.650 -12.454  20.947
  307   1HB   ASP  46          1HB       ASP  46  17.826 -14.210  19.211
  308   2HB   ASP  46          2HB       ASP  46  18.971 -13.456  18.113
  309    H    LEU  47           H        LEU  47  21.018 -12.581  20.155
  310    HA   LEU  47           HA       LEU  47  21.986  -9.916  19.845
  311   1HB   LEU  47          1HB       LEU  47  23.551 -12.403  19.033
  312   2HB   LEU  47          2HB       LEU  47  24.166 -10.938  19.784
  313    HG   LEU  47           HG       LEU  47  22.491 -13.113  21.062
  314   1HD1  LEU  47          2HD1      LEU  47  25.207 -11.897  21.690
  315   2HD1  LEU  47          3HD1      LEU  47  24.429 -13.171  22.622
  316   3HD1  LEU  47          1HD1      LEU  47  24.935 -13.477  20.964
  317   1HD2  LEU  47          3HD2      LEU  47  23.057 -10.281  21.930
  318   2HD2  LEU  47          1HD2      LEU  47  21.533 -11.162  21.959
  319   3HD2  LEU  47          2HD2      LEU  47  22.794 -11.553  23.122
  320    NH1  ARG  48           NH1      ARG  48  20.159 -13.907  13.346
  321    NH2  ARG  48           NH2      ARG  48  19.120 -15.707  14.295
  322    H    ARG  48           H        ARG  48  20.537  -9.444  17.853
  323    HA   ARG  48           HA       ARG  48  22.189  -9.798  15.519
  324   1HB   ARG  48          1HB       ARG  48  19.514 -10.117  14.593
  325   2HB   ARG  48          2HB       ARG  48  20.804 -11.287  14.543
  326   1HG   ARG  48          1HG       ARG  48  20.220 -11.949  16.921
  327   2HG   ARG  48          2HG       ARG  48  18.830 -10.875  16.838
  328   1HD   ARG  48          1HD       ARG  48  17.803 -12.807  16.075
  329   2HD   ARG  48          2HD       ARG  48  18.504 -12.322  14.532
  330    HE   ARG  48           HE       ARG  48  20.006 -14.178  16.298
  331   1HH1  ARG  48          1HH1      ARG  48  20.506 -12.973  13.438
  332   2HH1  ARG  48          2HH1      ARG  48  20.223 -14.381  12.468
  333   1HH2  ARG  48          1HH2      ARG  48  18.688 -16.121  15.097
  334   2HH2  ARG  48          2HH2      ARG  48  19.171 -16.214  13.436
  335    CH2  TRP  49           CH2      TRP  49  16.254  -2.403  12.190
  336    H    TRP  49           H        TRP  49  18.985  -8.636  15.249
  337    HA   TRP  49           HA       TRP  49  19.389  -6.401  13.843
  338   1HB   TRP  49          1HB       TRP  49  17.081  -6.800  14.432
  339   2HB   TRP  49          2HB       TRP  49  17.468  -6.786  16.137
  340    HD1  TRP  49           HD1      TRP  49  16.732  -4.432  17.284
  341    HE1  TRP  49           HE1      TRP  49  15.147  -2.908  16.173
  342    HE3  TRP  49           HE3      TRP  49  18.613  -4.679  12.869
  343    HZ2  TRP  49           HZ2      TRP  49  14.733  -1.874  13.577
  344    HZ3  TRP  49           HZ3      TRP  49  17.786  -3.294  10.995
  345    HH2  TRP  49           HH2      TRP  49  15.924  -1.729  11.413
  346    CH2  TRP  50           CH2      TRP  50  20.150  -8.526  21.944
  347    H    TRP  50           H        TRP  50  18.552  -5.784  17.020
  348    HA   TRP  50           HA       TRP  50  19.794  -3.312  17.161
  349   1HB   TRP  50          1HB       TRP  50  19.667  -3.877  19.796
  350   2HB   TRP  50          2HB       TRP  50  18.185  -3.676  18.881
  351    HD1  TRP  50           HD1      TRP  50  16.812  -6.050  18.216
  352    HE1  TRP  50           HE1      TRP  50  17.068  -8.339  19.131
  353    HE3  TRP  50           HE3      TRP  50  20.846  -5.341  21.095
  354    HZ2  TRP  50           HZ2      TRP  50  18.632  -9.737  21.032
  355    HZ3  TRP  50           HZ3      TRP  50  21.595  -7.110  22.625
  356    HH2  TRP  50           HH2      TRP  50  20.457  -9.286  22.640
  357    H    GLU  51           H        GLU  51  20.866  -6.110  19.068
  358    HA   GLU  51           HA       GLU  51  22.998  -6.741  19.782
  359   1HB   GLU  51          1HB       GLU  51  23.111  -6.172  16.994
  360   2HB   GLU  51          2HB       GLU  51  24.541  -5.419  17.698
  361   1HG   GLU  51          1HG       GLU  51  25.101  -7.559  18.826
  362   2HG   GLU  51          2HG       GLU  51  23.683  -8.308  18.097
  363    H    LEU  52           H        LEU  52  21.963  -3.680  19.797
  364    HA   LEU  52           HA       LEU  52  22.728  -1.691  20.758
  365   1HB   LEU  52          1HB       LEU  52  23.289  -3.786  22.470
  366   2HB   LEU  52          2HB       LEU  52  24.889  -3.083  22.266
  367    HG   LEU  52           HG       LEU  52  23.663  -0.800  22.687
  368   1HD1  LEU  52          1HD1      LEU  52  21.444  -2.344  22.666
  369   2HD1  LEU  52          2HD1      LEU  52  21.823  -2.421  24.383
  370   3HD1  LEU  52          3HD1      LEU  52  21.551  -0.863  23.613
  371   1HD2  LEU  52          3HD2      LEU  52  24.218  -2.906  24.797
  372   2HD2  LEU  52          1HD2      LEU  52  25.292  -1.618  24.258
  373   3HD2  LEU  52          2HD2      LEU  52  23.854  -1.230  25.198
  374    NH1  ARG  53           NH2      ARG  53  27.062   5.287  23.023
  375    NH2  ARG  53           NH1      ARG  53  25.817   4.545  24.787
  376    H    ARG  53           H        ARG  53  24.758  -0.354  21.188
  377    HA   ARG  53           HA       ARG  53  26.165   0.152  18.927
  378   1HB   ARG  53          1HB       ARG  53  27.619   0.241  21.581
  379   2HB   ARG  53          2HB       ARG  53  27.685   1.402  20.262
  380   1HG   ARG  53          1HG       ARG  53  25.039   1.528  20.834
  381   2HG   ARG  53          2HG       ARG  53  25.664   1.114  22.428
  382   1HD   ARG  53          1HD       ARG  53  27.424   3.010  21.920
  383   2HD   ARG  53          2HD       ARG  53  26.222   3.548  20.748
  384    HE   ARG  53           HE       ARG  53  24.648   3.372  22.894
  385   1HH1  ARG  53          1HH2      ARG  53  27.305   5.214  22.055
  386   2HH1  ARG  53                 ARG  53  27.509   5.971  23.600
  387   1HH2  ARG  53          1HH1      ARG  53  25.127   3.914  25.143
  388   2HH2  ARG  53          2HH1      ARG  53  26.241   5.216  25.394
   
  Start of MODEL           5
 Raw file had 388 H/Q atoms
  Start of MODEL    5
    1   1H    ASN   1          1H        ASN   1  -7.110   1.853  -0.379
    2   2H    ASN   1          2H        ASN   1  -8.726   1.337  -0.481
    3   3H    ASN   1          3H        ASN   1  -8.226   2.303   0.820
    4    HA   ASN   1           HA       ASN   1  -8.236   0.280   1.821
    5   1HB   ASN   1          1HB       ASN   1  -7.051  -0.921  -0.727
    6   2HB   ASN   1          2HB       ASN   1  -7.646  -1.814   0.670
    7   1HD2  ASN   1          2HD2      ASN   1 -10.356  -0.111  -1.912
    8   2HD2  ASN   1          1HD2      ASN   1  -8.767   0.485  -1.857
    9    H    SER   2           H        SER   2  -6.702   0.379   3.294
   10    HA   SER   2           HA       SER   2  -4.115  -0.500   3.075
   11   1HB   SER   2          1HB       SER   2  -3.089   2.037   3.173
   12   2HB   SER   2          2HB       SER   2  -3.302   1.182   1.632
   13    HG   SER   2           HG       SER   2  -4.448   3.053   1.426
   14    OH   TYR   3           OH       TYR   3  -9.161   6.542   8.307
   15    H    TYR   3           H        TYR   3  -4.683   2.715   4.347
   16    HA   TYR   3           HA       TYR   3  -4.620   3.513   6.535
   17   1HB   TYR   3          1HB       TYR   3  -6.526   1.339   6.392
   18   2HB   TYR   3          2HB       TYR   3  -5.803   1.412   8.001
   19    HD1  TYR   3           HD1      TYR   3  -5.892   3.569   9.296
   20    HD2  TYR   3           HD2      TYR   3  -7.985   3.091   5.622
   21    HE1  TYR   3           HE1      TYR   3  -7.266   5.532   9.821
   22    HE2  TYR   3           HE2      TYR   3  -9.352   5.058   6.146
   23    HH   TYR   3           HH       TYR   3  -9.838   6.284   8.938
   24    HA   PRO   4           HA       PRO   4  -0.995   1.089   7.904
   25   1HB   PRO   4          1HB       PRO   4  -0.021   3.280   9.470
   26   2HB   PRO   4          2HB       PRO   4   0.548   2.800   7.870
   27   1HG   PRO   4          1HG       PRO   4  -1.038   5.131   8.592
   28   2HG   PRO   4          2HG       PRO   4  -0.358   4.720   7.018
   29   1HD   PRO   4          2HD       PRO   4  -3.110   4.551   7.861
   30   2HD   PRO   4          1HD       PRO   4  -2.431   4.142   6.272
   31    H    GLY   5           H        GLY   5   0.061   1.040  10.279
   32   1HA   GLY   5          1HA       GLY   5  -0.253   0.602  12.571
   33   2HA   GLY   5          2HA       GLY   5  -1.707   1.588  12.497
   34    H    CYS   6           H        CYS   6  -2.677   0.011  13.904
   35    HA   CYS   6           HA       CYS   6  -4.122  -2.006  12.443
   36   1HB   CYS   6          1HB       CYS   6  -2.261  -2.879  14.704
   37   2HB   CYS   6          2HB       CYS   6  -3.255  -3.944  13.750
   38    HA   PRO   7           HA       PRO   7  -7.316  -1.065  15.344
   39   1HB   PRO   7          1HB       PRO   7  -7.434  -3.957  16.097
   40   2HB   PRO   7          2HB       PRO   7  -8.713  -2.925  15.450
   41   1HG   PRO   7          1HG       PRO   7  -7.240  -4.853  13.967
   42   2HG   PRO   7          2HG       PRO   7  -8.253  -3.575  13.284
   43   1HD   PRO   7          2HD       PRO   7  -5.381  -3.774  13.211
   44   2HD   PRO   7          1HD       PRO   7  -6.393  -2.503  12.494
   45    H    SER   8           H        SER   8  -7.657  -0.860  17.627
   46    HA   SER   8           HA       SER   8  -5.342  -0.609  19.199
   47   1HB   SER   8          1HB       SER   8  -8.174  -1.243  20.182
   48   2HB   SER   8          2HB       SER   8  -6.875  -0.513  21.155
   49    HG   SER   8           HG       SER   8  -8.448   0.911  19.909
   50    H    SER   9           H        SER   9  -7.318  -3.424  18.606
   51    HA   SER   9           HA       SER   9  -6.619  -5.091  20.735
   52   1HB   SER   9          1HB       SER   9  -6.586  -5.978  17.801
   53   2HB   SER   9          2HB       SER   9  -7.066  -6.943  19.213
   54    HG   SER   9           HG       SER   9  -8.678  -5.291  19.594
   55    OH   TYR  10           OH       TYR  10  -4.489  -8.693  14.619
   56    H    TYR  10           H        TYR  10  -4.623  -3.676  18.398
   57    HA   TYR  10           HA       TYR  10  -2.412  -5.533  18.892
   58   1HB   TYR  10          1HB       TYR  10  -2.868  -3.237  16.966
   59   2HB   TYR  10          2HB       TYR  10  -1.309  -4.051  17.105
   60    HD1  TYR  10           HD2      TYR  10  -1.198  -6.469  16.727
   61    HD2  TYR  10           HD1      TYR  10  -4.711  -4.340  15.824
   62    HE1  TYR  10           HE2      TYR  10  -2.089  -8.484  15.706
   63    HE2  TYR  10           HE1      TYR  10  -5.622  -6.309  14.718
   64    HH   TYR  10           HH       TYR  10  -5.415  -8.724  14.872
   65    H    ASP  11           H        ASP  11  -3.470  -3.708  20.873
   66    HA   ASP  11           HA       ASP  11  -1.642  -1.522  21.205
   67   1HB   ASP  11          1HB       ASP  11  -3.871  -1.581  22.312
   68   2HB   ASP  11          2HB       ASP  11  -3.388  -3.014  23.220
   69    H    GLY  12           H        GLY  12  -0.770  -4.524  20.999
   70   1HA   GLY  12          1HA       GLY  12   1.737  -4.338  22.145
   71   2HA   GLY  12          2HA       GLY  12   0.730  -4.892  23.472
   72    OH   TYR  13           OH       TYR  13   0.974 -11.108  14.338
   73    H    TYR  13           H        TYR  13   0.336  -5.859  20.061
   74    HA   TYR  13           HA       TYR  13   0.688  -8.670  20.965
   75   1HB   TYR  13          1HB       TYR  13  -1.132  -8.805  19.555
   76   2HB   TYR  13          2HB       TYR  13  -0.743  -7.300  18.761
   77    HD1  TYR  13           HD2      TYR  13   0.790  -7.305  16.763
   78    HD2  TYR  13           HD1      TYR  13  -0.219 -10.968  18.681
   79    HE1  TYR  13           HE2      TYR  13   1.102  -8.517  14.654
   80    HE2  TYR  13           HE1      TYR  13   0.223 -12.166  16.609
   81    HH   TYR  13           HH       TYR  13   1.886 -11.403  14.371
   82    H    CYS  14           H        CYS  14   1.910  -6.659  18.237
   83    HA   CYS  14           HA       CYS  14   3.902  -8.621  17.636
   84   1HB   CYS  14          1HB       CYS  14   3.107  -6.106  16.596
   85   2HB   CYS  14          2HB       CYS  14   4.778  -5.897  17.057
   86    H    LEU  15           H        LEU  15   5.763  -9.047  18.433
   87    HA   LEU  15           HA       LEU  15   6.694  -7.584  20.834
   88   1HB   LEU  15          1HB       LEU  15   7.152 -10.255  19.549
   89   2HB   LEU  15          2HB       LEU  15   8.372  -9.635  20.629
   90    HG   LEU  15           HG       LEU  15   6.700 -11.211  21.631
   91   1HD1  LEU  15          1HD1      LEU  15   7.313  -8.496  22.741
   92   2HD1  LEU  15          2HD1      LEU  15   6.266  -9.584  23.642
   93   3HD1  LEU  15          3HD1      LEU  15   7.907 -10.074  23.225
   94   1HD2  LEU  15          3HD2      LEU  15   4.741 -10.344  20.428
   95   2HD2  LEU  15          1HD2      LEU  15   4.483 -10.348  22.175
   96   3HD2  LEU  15          2HD2      LEU  15   4.837  -8.837  21.347
   97    H    ASN  16           H        ASN  16   9.013  -7.594  21.152
   98    HA   ASN  16           HA       ASN  16  10.916  -6.266  20.496
   99   1HB   ASN  16          1HB       ASN  16  11.119  -8.725  18.795
  100   2HB   ASN  16          2HB       ASN  16  12.333  -7.970  19.816
  101   1HD2  ASN  16          2HD2      ASN  16  10.527 -10.920  21.523
  102   2HD2  ASN  16          1HD2      ASN  16  11.129 -10.776  19.938
  103    H    GLY  17           H        GLY  17  10.491  -4.463  19.289
  104   1HA   GLY  17          1HA       GLY  17  10.174  -3.140  17.362
  105   2HA   GLY  17          2HA       GLY  17  11.493  -4.133  16.755
  106    H    GLY  18           H        GLY  18   8.467  -5.655  17.538
  107   1HA   GLY  18          1HA       GLY  18   8.195  -6.641  14.840
  108   2HA   GLY  18          2HA       GLY  18   7.017  -6.850  16.131
  109    H    VAL  19           H        VAL  19   7.661  -5.272  13.216
  110    HA   VAL  19           HA       VAL  19   5.980  -2.968  13.766
  111    HB   VAL  19           HB       VAL  19   6.784  -3.918  11.004
  112   1HG1  VAL  19          1HG1      VAL  19   5.339  -1.894  11.293
  113   2HG1  VAL  19          2HG1      VAL  19   6.616  -1.161  12.258
  114   3HG1  VAL  19          3HG1      VAL  19   6.892  -1.517  10.555
  115   1HG2  VAL  19          2HG2      VAL  19   8.525  -2.955  13.235
  116   2HG2  VAL  19          3HG2      VAL  19   8.908  -4.068  11.925
  117   3HG2  VAL  19          1HG2      VAL  19   8.858  -2.334  11.623
  118    H    CYS  20           H        CYS  20   3.841  -2.866  13.529
  119    HA   CYS  20           HA       CYS  20   2.462  -5.268  12.455
  120   1HB   CYS  20          1HB       CYS  20   0.825  -4.784  13.971
  121   2HB   CYS  20          2HB       CYS  20   2.007  -3.720  14.688
  122    H    MET  21           H        MET  21   1.545  -5.284  10.517
  123    HA   MET  21           HA       MET  21   0.968  -2.655   9.219
  124   1HB   MET  21          1HB       MET  21   1.334  -3.777   7.054
  125   2HB   MET  21          2HB       MET  21   2.748  -3.994   8.073
  126   1HG   MET  21          1HG       MET  21   1.884  -6.220   8.743
  127   2HG   MET  21          2HG       MET  21   0.522  -5.993   7.674
  128   1HE   MET  21          3HE       MET  21   0.693  -5.359   5.387
  129   2HE   MET  21          1HE       MET  21   2.264  -4.676   4.977
  130   3HE   MET  21          2HE       MET  21   1.730  -6.174   4.215
  131    H    HIS  22           H        HIS  22  -0.863  -2.581   7.801
  132    HA   HIS  22           HA       HIS  22  -2.964  -4.634   8.366
  133   1HB   HIS  22          1HB       HIS  22  -3.319  -2.853   9.961
  134   2HB   HIS  22          2HB       HIS  22  -3.101  -1.621   8.726
  135    HD1  HIS  22           HD1      HIS  22  -5.563  -0.960   9.456
  136    HD2  HIS  22           HD2      HIS  22  -5.368  -4.613   7.684
  137    HE1  HIS  22           HE1      HIS  22  -7.871  -1.636   9.067
  138    H    ILE  23           H        ILE  23  -3.931  -5.234   6.524
  139    HA   ILE  23           HA       ILE  23  -3.997  -3.361   4.238
  140    HB   ILE  23           HB       ILE  23  -4.706  -6.190   3.738
  141   1HG1  ILE  23          1HG1      ILE  23  -1.904  -5.480   4.659
  142   2HG1  ILE  23          2HG1      ILE  23  -3.019  -6.573   5.476
  143   1HG2  ILE  23          3HG2      ILE  23  -4.109  -4.247   2.091
  144   2HG2  ILE  23          1HG2      ILE  23  -2.434  -4.575   2.531
  145   3HG2  ILE  23          2HG2      ILE  23  -3.405  -5.828   1.762
  146   1HD1  ILE  23          3HD1      ILE  23  -3.079  -7.871   3.231
  147   2HD1  ILE  23          1HD1      ILE  23  -1.629  -6.958   2.822
  148   3HD1  ILE  23          2HD1      ILE  23  -1.633  -8.024   4.223
  149    H    GLU  24           H        GLU  24  -5.895  -2.319   4.462
  150    HA   GLU  24           HA       GLU  24  -8.229  -3.129   5.729
  151   1HB   GLU  24          1HB       GLU  24  -7.489  -1.042   3.950
  152   2HB   GLU  24          2HB       GLU  24  -8.942  -1.759   3.266
  153   1HG   GLU  24          1HG       GLU  24  -9.987  -1.600   5.583
  154   2HG   GLU  24          2HG       GLU  24  -8.588  -0.646   6.068
  155    H    SER  25           H        SER  25  -7.134  -4.091   2.543
  156    HA   SER  25           HA       SER  25  -9.391  -5.071   1.330
  157   1HB   SER  25          1HB       SER  25  -6.546  -5.976   1.475
  158   2HB   SER  25          2HB       SER  25  -7.700  -7.204   0.914
  159    HG   SER  25           HG       SER  25  -7.875  -4.545   0.003
  160    H    LEU  26           H        LEU  26  -7.469  -7.402   3.181
  161    HA   LEU  26           HA       LEU  26  -9.874  -8.864   3.791
  162   1HB   LEU  26          1HB       LEU  26  -6.925  -9.294   4.336
  163   2HB   LEU  26          2HB       LEU  26  -8.140 -10.357   5.029
  164    HG   LEU  26           HG       LEU  26  -8.449  -9.839   2.128
  165   1HD1  LEU  26          3HD1      LEU  26  -6.058 -11.307   3.286
  166   2HD1  LEU  26          1HD1      LEU  26  -6.639 -11.576   1.646
  167   3HD1  LEU  26          2HD1      LEU  26  -6.044  -9.988   2.119
  168   1HD2  LEU  26          2HD2      LEU  26  -9.710 -11.489   3.681
  169   2HD2  LEU  26          3HD2      LEU  26  -9.156 -12.106   2.126
  170   3HD2  LEU  26          1HD2      LEU  26  -8.253 -12.474   3.594
  171    H    ASP  27           H        ASP  27  -8.644  -6.200   5.059
  172    HA   ASP  27           HA       ASP  27  -8.679  -5.176   7.174
  173   1HB   ASP  27          1HB       ASP  27 -10.913  -7.220   7.610
  174   2HB   ASP  27          2HB       ASP  27 -10.724  -5.685   8.455
  175    H    SER  28           H        SER  28  -7.411  -8.054   6.766
  176    HA   SER  28           HA       SER  28  -7.359  -9.074   9.464
  177   1HB   SER  28          1HB       SER  28  -5.840  -9.701   6.903
  178   2HB   SER  28          2HB       SER  28  -5.419 -10.494   8.434
  179    HG   SER  28           HG       SER  28  -7.489 -10.985   6.821
  180    OH   TYR  29           OH       TYR  29  -8.368  -4.305  11.046
  181    H    TYR  29           H        TYR  29  -4.739  -9.675   9.948
  182    HA   TYR  29           HA       TYR  29  -3.168  -7.178   9.816
  183   1HB   TYR  29          1HB       TYR  29  -4.061  -8.434  12.437
  184   2HB   TYR  29          2HB       TYR  29  -3.008  -7.027  12.289
  185    HD1  TYR  29           HD2      TYR  29  -3.907  -5.077  10.939
  186    HD2  TYR  29           HD1      TYR  29  -6.415  -8.094  12.527
  187    HE1  TYR  29           HE2      TYR  29  -5.863  -3.661  10.597
  188    HE2  TYR  29           HE1      TYR  29  -8.387  -6.726  12.068
  189    HH   TYR  29           HH       TYR  29  -9.142  -4.875  11.033
  190    H    THR  30           H        THR  30  -0.973  -7.450  10.520
  191    HA   THR  30           HA       THR  30  -0.160 -10.067  11.486
  192    HB   THR  30           HB       THR  30  -0.490 -10.770   9.150
  193    HG1  THR  30           HG1      THR  30   1.410 -11.488  10.070
  194   1HG2  THR  30          2HG2      THR  30   0.471  -8.056   8.651
  195   2HG2  THR  30          3HG2      THR  30   1.504  -9.207   7.814
  196   3HG2  THR  30          1HG2      THR  30  -0.226  -9.174   7.488
  197    H    CYS  31           H        CYS  31   1.864 -10.263  12.030
  198    HA   CYS  31           HA       CYS  31   3.300  -7.810  12.649
  199   1HB   CYS  31          1HB       CYS  31   3.379 -10.682  13.331
  200   2HB   CYS  31          2HB       CYS  31   4.954  -9.941  13.267
  201    H    ASN  32           H        ASN  32   5.394  -7.341  12.108
  202    HA   ASN  32           HA       ASN  32   6.608  -8.831   9.843
  203   1HB   ASN  32          1HB       ASN  32   5.558  -6.947   8.732
  204   2HB   ASN  32          2HB       ASN  32   6.025  -5.844  10.017
  205   1HD2  ASN  32          2HD2      ASN  32   8.960  -7.118   7.418
  206   2HD2  ASN  32          1HD2      ASN  32   7.661  -8.151   7.772
  207    H    CYS  33           H        CYS  33   7.826  -9.633  11.643
  208    HA   CYS  33           HA       CYS  33   9.355  -8.006  13.376
  209   1HB   CYS  33          1HB       CYS  33  10.350 -10.667  12.370
  210   2HB   CYS  33          2HB       CYS  33  10.461  -9.994  13.978
  211    H    VAL  34           H        VAL  34  12.010  -9.193  12.844
  212    HA   VAL  34           HA       VAL  34  12.843  -8.117  10.273
  213    HB   VAL  34           HB       VAL  34  14.364  -6.637  12.305
  214   1HG1  VAL  34          1HG1      VAL  34  14.465  -6.255   9.883
  215   2HG1  VAL  34          2HG1      VAL  34  12.770  -5.798   9.875
  216   3HG1  VAL  34          3HG1      VAL  34  13.944  -4.798  10.725
  217   1HG2  VAL  34          2HG2      VAL  34  11.893  -6.595  13.273
  218   2HG2  VAL  34          3HG2      VAL  34  12.801  -5.106  13.128
  219   3HG2  VAL  34          1HG2      VAL  34  11.592  -5.524  11.916
  220    H    ILE  35           H        ILE  35  15.415  -7.512  10.822
  221    HA   ILE  35           HA       ILE  35  16.666 -10.078  10.894
  222    HB   ILE  35           HB       ILE  35  17.509  -8.315   9.494
  223   1HG1  ILE  35          1HG1      ILE  35  19.589  -7.976  11.568
  224   2HG1  ILE  35          2HG1      ILE  35  19.164  -9.638  11.189
  225   1HG2  ILE  35          1HG2      ILE  35  17.161  -6.740  12.047
  226   2HG2  ILE  35          2HG2      ILE  35  18.389  -6.173  10.916
  227   3HG2  ILE  35          3HG2      ILE  35  16.716  -6.290  10.411
  228   1HD1  ILE  35          1HD1      ILE  35  19.843  -7.551   9.094
  229   2HD1  ILE  35          2HD1      ILE  35  21.000  -8.717   9.731
  230   3HD1  ILE  35          3HD1      ILE  35  19.598  -9.276   8.827
  231    H    GLY  36           H        GLY  36  15.531 -10.216  13.225
  232   1HA   GLY  36          1HA       GLY  36  17.256 -10.962  15.151
  233   2HA   GLY  36          2HA       GLY  36  17.277  -9.234  15.407
  234    OH   TYR  37           OH       TYR  37  15.018  -4.892  18.068
  235    H    TYR  37           H        TYR  37  14.521 -10.581  14.109
  236    HA   TYR  37           HA       TYR  37  13.119 -10.924  16.645
  237   1HB   TYR  37          1HB       TYR  37  12.331  -8.979  14.480
  238   2HB   TYR  37          2HB       TYR  37  11.446  -9.246  15.967
  239    HD1  TYR  37           HD2      TYR  37  13.258  -9.035  18.157
  240    HD2  TYR  37           HD1      TYR  37  13.699  -7.123  14.405
  241    HE1  TYR  37           HE2      TYR  37  14.350  -7.177  19.207
  242    HE2  TYR  37           HE1      TYR  37  14.499  -5.096  15.456
  243    HH   TYR  37           HH       TYR  37  14.622  -4.108  17.675
  244    H    SER  38           H        SER  38  12.027 -12.809  16.423
  245    HA   SER  38           HA       SER  38  10.388 -13.247  14.043
  246   1HB   SER  38          1HB       SER  38  11.972 -15.623  14.075
  247   2HB   SER  38          2HB       SER  38  12.022 -14.345  12.845
  248    HG   SER  38           HG       SER  38  14.012 -14.820  14.179
  249    H    GLY  39           H        GLY  39   9.989 -15.955  14.143
  250   1HA   GLY  39          1HA       GLY  39   9.255 -17.755  15.577
  251   2HA   GLY  39          2HA       GLY  39   9.344 -16.662  16.956
  252    H    ASP  40           H        ASP  40   7.159 -17.147  17.610
  253    HA   ASP  40           HA       ASP  40   4.855 -17.162  16.004
  254   1HB   ASP  40          1HB       ASP  40   4.902 -17.577  18.501
  255   2HB   ASP  40          2HB       ASP  40   5.160 -15.850  18.758
  256    NH1  ARG  41           NH2      ARG  41   2.409 -13.565  22.259
  257    NH2  ARG  41           NH1      ARG  41   1.468 -11.516  22.639
  258    H    ARG  41           H        ARG  41   4.576 -14.397  18.021
  259    HA   ARG  41           HA       ARG  41   3.968 -12.775  15.713
  260   1HB   ARG  41          1HB       ARG  41   4.763 -11.444  18.319
  261   2HB   ARG  41          2HB       ARG  41   3.384 -11.105  17.278
  262   1HG   ARG  41          1HG       ARG  41   2.402 -13.334  18.038
  263   2HG   ARG  41          2HG       ARG  41   3.694 -13.394  19.240
  264   1HD   ARG  41          1HD       ARG  41   2.141 -10.891  19.173
  265   2HD   ARG  41          2HD       ARG  41   1.254 -12.318  19.679
  266    HE   ARG  41           HE       ARG  41   3.736 -11.432  21.025
  267   1HH1  ARG  41          1HH2      ARG  41   3.017 -14.137  21.709
  268   2HH1  ARG  41          2HH2      ARG  41   1.936 -13.952  23.049
  269   1HH2  ARG  41          1HH1      ARG  41   1.376 -10.557  22.373
  270   2HH2  ARG  41          2HH1      ARG  41   0.969 -11.865  23.431
  271    H    CYS  42           H        CYS  42   6.457 -12.381  18.182
  272    HA   CYS  42           HA       CYS  42   8.725 -12.447  16.482
  273   1HB   CYS  42          1HB       CYS  42   7.918  -9.661  17.362
  274   2HB   CYS  42          2HB       CYS  42   9.372 -10.084  16.498
  275    H    GLN  43           H        GLN  43   7.704 -13.208  19.109
  276    HA   GLN  43           HA       GLN  43   8.959 -11.706  21.193
  277   1HB   GLN  43          1HB       GLN  43   8.936 -14.381  22.053
  278   2HB   GLN  43          2HB       GLN  43   7.675 -13.193  22.327
  279   1HG   GLN  43          1HG       GLN  43   6.784 -15.267  21.279
  280   2HG   GLN  43          2HG       GLN  43   6.550 -13.866  20.241
  281   1HE2  GLN  43          2HE2      GLN  43   8.226 -15.458  17.616
  282   2HE2  GLN  43          1HE2      GLN  43   6.950 -14.467  18.132
  283    H    THR  44           H        THR  44  10.404 -13.601  18.773
  284    HA   THR  44           HA       THR  44  12.608 -14.457  20.463
  285    HB   THR  44           HB       THR  44  12.387 -14.614  17.419
  286    HG1  THR  44           HG1      THR  44  11.534 -16.223  19.600
  287   1HG2  THR  44          2HG2      THR  44  14.472 -15.285  19.245
  288   2HG2  THR  44          3HG2      THR  44  13.633 -16.802  18.942
  289   3HG2  THR  44          1HG2      THR  44  14.320 -15.891  17.601
  290    NH1  ARG  45           NH2      ARG  45  15.776  -9.124  24.731
  291    NH2  ARG  45           NH1      ARG  45  16.618  -7.122  24.015
  292    H    ARG  45           H        ARG  45  13.469 -12.496  21.183
  293    HA   ARG  45           HA       ARG  45  14.718 -10.677  19.185
  294   1HB   ARG  45          1HB       ARG  45  13.385  -9.719  21.034
  295   2HB   ARG  45          2HB       ARG  45  14.353 -10.592  22.219
  296   1HG   ARG  45          1HG       ARG  45  16.239  -9.311  21.827
  297   2HG   ARG  45          2HG       ARG  45  15.725  -8.856  20.214
  298   1HD   ARG  45          1HD       ARG  45  15.447  -6.890  21.574
  299   2HD   ARG  45          2HD       ARG  45  13.833  -7.541  21.347
  300    HE   ARG  45           HE       ARG  45  13.744  -7.813  23.675
  301   1HH1  ARG  45          1HH2      ARG  45  15.040  -9.800  24.704
  302   2HH1  ARG  45          2HH2      ARG  45  16.577  -9.280  25.309
  303   1HH2  ARG  45          1HH1      ARG  45  16.513  -6.302  23.451
  304   2HH2  ARG  45          2HH1      ARG  45  17.437  -7.241  24.576
  305    H    ASP  46           H        ASP  46  16.374 -12.349  18.644
  306    HA   ASP  46           HA       ASP  46  18.200 -13.130  20.851
  307   1HB   ASP  46          1HB       ASP  46  17.457 -14.230  18.280
  308   2HB   ASP  46          2HB       ASP  46  19.200 -14.016  18.316
  309    H    LEU  47           H        LEU  47  20.605 -13.023  20.384
  310    HA   LEU  47           HA       LEU  47  21.368 -10.270  20.063
  311   1HB   LEU  47          1HB       LEU  47  23.741 -11.296  20.053
  312   2HB   LEU  47          2HB       LEU  47  22.749 -11.698  21.451
  313    HG   LEU  47           HG       LEU  47  22.266 -13.583  19.302
  314   1HD1  LEU  47          2HD1      LEU  47  25.131 -13.237  20.240
  315   2HD1  LEU  47          3HD1      LEU  47  24.526 -14.658  19.390
  316   3HD1  LEU  47          1HD1      LEU  47  24.543 -13.092  18.583
  317   1HD2  LEU  47          1HD2      LEU  47  23.471 -13.862  22.077
  318   2HD2  LEU  47          2HD2      LEU  47  21.753 -13.960  21.696
  319   3HD2  LEU  47          3HD2      LEU  47  22.863 -15.188  21.098
  320    NH1  ARG  48           NH2      ARG  48  18.205 -15.547  14.199
  321    NH2  ARG  48           NH1      ARG  48  18.644 -16.375  16.283
  322    H    ARG  48           H        ARG  48  20.349  -9.909  17.948
  323    HA   ARG  48           HA       ARG  48  22.262 -10.407  15.836
  324   1HB   ARG  48          1HB       ARG  48  19.650 -10.598  14.670
  325   2HB   ARG  48          2HB       ARG  48  20.887 -11.829  14.730
  326   1HG   ARG  48          1HG       ARG  48  20.108 -12.421  17.054
  327   2HG   ARG  48          2HG       ARG  48  18.794 -11.277  16.871
  328   1HD   ARG  48          1HD       ARG  48  17.681 -13.116  16.040
  329   2HD   ARG  48          2HD       ARG  48  18.562 -12.752  14.558
  330    HE   ARG  48           HE       ARG  48  20.313 -14.363  15.967
  331   1HH1  ARG  48          1HH2      ARG  48  18.293 -14.803  13.536
  332   2HH1  ARG  48          2HH2      ARG  48  17.711 -16.382  13.953
  333   1HH2  ARG  48          1HH1      ARG  48  19.062 -16.253  17.182
  334   2HH2  ARG  48          2HH1      ARG  48  18.158 -17.223  16.069
  335    CH2  TRP  49           CH2      TRP  49  16.751  -2.796  12.140
  336    H    TRP  49           H        TRP  49  19.127  -9.088  15.369
  337    HA   TRP  49           HA       TRP  49  19.677  -6.927  13.892
  338   1HB   TRP  49          1HB       TRP  49  17.353  -7.167  14.445
  339   2HB   TRP  49          2HB       TRP  49  17.705  -7.164  16.159
  340    HD1  TRP  49           HD1      TRP  49  17.129  -4.745  17.293
  341    HE1  TRP  49           HE1      TRP  49  15.604  -3.170  16.149
  342    HE3  TRP  49           HE3      TRP  49  18.995  -5.159  12.894
  343    HZ2  TRP  49           HZ2      TRP  49  15.249  -2.159  13.501
  344    HZ3  TRP  49           HZ3      TRP  49  18.239  -3.790  10.975
  345    HH2  TRP  49           HH2      TRP  49  16.458  -2.126  11.345
  346    CH2  TRP  50           CH2      TRP  50  20.359  -8.978  22.038
  347    H    TRP  50           H        TRP  50  18.853  -6.216  17.050
  348    HA   TRP  50           HA       TRP  50  20.141  -3.787  17.172
  349   1HB   TRP  50          1HB       TRP  50  20.096  -4.356  19.801
  350   2HB   TRP  50          2HB       TRP  50  18.598  -4.090  18.936
  351    HD1  TRP  50           HD1      TRP  50  17.131  -6.407  18.253
  352    HE1  TRP  50           HE1      TRP  50  17.282  -8.693  19.214
  353    HE3  TRP  50           HE3      TRP  50  21.206  -5.850  21.125
  354    HZ2  TRP  50           HZ2      TRP  50  18.789 -10.124  21.154
  355    HZ3  TRP  50           HZ3      TRP  50  21.866  -7.619  22.692
  356    HH2  TRP  50           HH2      TRP  50  20.650  -9.758  22.727
  357    H    GLU  51           H        GLU  51  22.156  -3.786  16.502
  358    HA   GLU  51           HA       GLU  51  24.226  -5.537  17.030
  359   1HB   GLU  51          1HB       GLU  51  24.433  -2.515  16.734
  360   2HB   GLU  51          2HB       GLU  51  25.713  -3.674  16.384
  361   1HG   GLU  51          1HG       GLU  51  24.891  -3.614  14.252
  362   2HG   GLU  51          2HG       GLU  51  23.633  -4.674  14.883
  363    H    LEU  52           H        LEU  52  24.957  -6.185  18.971
  364    HA   LEU  52           HA       LEU  52  24.603  -4.838  21.383
  365   1HB   LEU  52          1HB       LEU  52  26.434  -7.017  20.407
  366   2HB   LEU  52          2HB       LEU  52  26.822  -6.284  21.953
  367    HG   LEU  52           HG       LEU  52  24.266  -6.741  22.488
  368   1HD1  LEU  52          3HD1      LEU  52  23.741  -7.484  20.163
  369   2HD1  LEU  52          1HD1      LEU  52  24.882  -8.810  20.350
  370   3HD1  LEU  52          2HD1      LEU  52  23.432  -8.749  21.346
  371   1HD2  LEU  52          3HD2      LEU  52  26.431  -8.852  22.365
  372   2HD2  LEU  52          1HD2      LEU  52  26.088  -7.772  23.711
  373   3HD2  LEU  52          2HD2      LEU  52  24.935  -9.029  23.276
  374    NH1  ARG  53           NH2      ARG  53  31.316   0.194  25.415
  375    NH2  ARG  53           NH1      ARG  53  30.917  -0.723  27.469
  376    H    ARG  53           H        ARG  53  26.556  -4.220  22.816
  377    HA   ARG  53           HA       ARG  53  27.781  -2.178  23.142
  378   1HB   ARG  53          1HB       ARG  53  29.244  -4.509  22.104
  379   2HB   ARG  53          2HB       ARG  53  30.112  -3.008  21.792
  380   1HG   ARG  53          1HG       ARG  53  28.945  -3.603  24.525
  381   2HG   ARG  53          2HG       ARG  53  30.537  -4.187  24.064
  382   1HD   ARG  53          1HD       ARG  53  31.462  -2.065  24.019
  383   2HD   ARG  53          2HD       ARG  53  29.944  -1.302  23.545
  384    HE   ARG  53           HE       ARG  53  29.448  -2.196  26.119
  385   1HH1  ARG  53          1HH2      ARG  53  31.206   0.148  24.421
  386   2HH1  ARG  53                 ARG  53  31.823   0.949  25.828
  387   1HH2  ARG  53          1HH1      ARG  53  30.504  -1.453  28.015
  388   2HH2  ARG  53          2HH1      ARG  53  31.428   0.009  27.918
   
  Start of MODEL           6
 Raw file had 388 H/Q atoms
  Start of MODEL    6
    1   1H    ASN   1          2H        ASN   1  -5.331   1.850   2.407
    2   2H    ASN   1          3H        ASN   1  -6.039   3.355   2.058
    3   3H    ASN   1          1H        ASN   1  -5.090   2.569   0.888
    4    HA   ASN   1           HA       ASN   1  -3.395   3.779   1.584
    5   1HB   ASN   1          1HB       ASN   1  -5.479   4.610   3.457
    6   2HB   ASN   1          2HB       ASN   1  -3.914   4.561   4.264
    7   1HD2  ASN   1          2HD2      ASN   1  -4.636   7.757   2.148
    8   2HD2  ASN   1          1HD2      ASN   1  -5.759   6.803   2.992
    9    H    SER   2           H        SER   2  -4.582   1.104   3.155
   10    HA   SER   2           HA       SER   2  -3.444  -0.629   4.254
   11   1HB   SER   2          1HB       SER   2  -1.439   0.617   2.797
   12   2HB   SER   2          2HB       SER   2  -0.836   0.795   4.457
   13    HG   SER   2           HG       SER   2  -0.493  -1.301   3.222
   14    OH   TYR   3           OH       TYR   3  -8.517   5.908   7.959
   15    H    TYR   3           H        TYR   3  -3.394   2.624   5.312
   16    HA   TYR   3           HA       TYR   3  -3.149   3.582   7.440
   17   1HB   TYR   3          1HB       TYR   3  -4.745   1.078   7.671
   18   2HB   TYR   3          2HB       TYR   3  -4.171   1.775   9.184
   19    HD1  TYR   3           HD1      TYR   3  -4.432   4.461   9.262
   20    HD2  TYR   3           HD2      TYR   3  -6.801   1.860   6.879
   21    HE1  TYR   3           HE1      TYR   3  -6.209   6.148   9.189
   22    HE2  TYR   3           HE2      TYR   3  -8.592   3.536   6.824
   23    HH   TYR   3           HH       TYR   3  -9.300   5.499   7.586
   24    HA   PRO   4           HA       PRO   4   0.703   1.303   8.489
   25   1HB   PRO   4          1HB       PRO   4   1.573   3.714   9.874
   26   2HB   PRO   4          2HB       PRO   4   2.269   2.976   8.433
   27   1HG   PRO   4          1HG       PRO   4   0.752   5.393   8.551
   28   2HG   PRO   4          2HG       PRO   4   1.292   4.561   7.093
   29   1HD   PRO   4          2HD       PRO   4  -1.398   4.726   8.202
   30   2HD   PRO   4          1HD       PRO   4  -0.897   4.038   6.645
   31    H    GLY   5           H        GLY   5  -0.100  -0.030  10.003
   32   1HA   GLY   5          1HA       GLY   5   0.356  -0.074  12.601
   33   2HA   GLY   5          2HA       GLY   5  -0.956   1.101  12.616
   34    H    CYS   6           H        CYS   6  -2.283  -0.301  13.839
   35    HA   CYS   6           HA       CYS   6  -3.813  -2.133  12.223
   36   1HB   CYS   6          1HB       CYS   6  -2.314  -3.212  14.651
   37   2HB   CYS   6          2HB       CYS   6  -3.306  -4.155  13.572
   38    HA   PRO   7           HA       PRO   7  -7.207  -0.880  14.783
   39   1HB   PRO   7          1HB       PRO   7  -7.488  -3.803  15.489
   40   2HB   PRO   7          2HB       PRO   7  -8.718  -2.688  14.867
   41   1HG   PRO   7          1HG       PRO   7  -7.326  -4.597  13.339
   42   2HG   PRO   7          2HG       PRO   7  -8.178  -3.197  12.672
   43   1HD   PRO   7          2HD       PRO   7  -5.336  -3.682  12.738
   44   2HD   PRO   7          1HD       PRO   7  -6.170  -2.270  12.055
   45    H    SER   8           H        SER   8  -6.969   0.035  16.758
   46    HA   SER   8           HA       SER   8  -4.948  -0.447  18.581
   47   1HB   SER   8          1HB       SER   8  -7.785   0.268  19.447
   48   2HB   SER   8          2HB       SER   8  -6.259   0.745  20.226
   49    HG   SER   8           HG       SER   8  -7.493   2.050  18.348
   50    H    SER   9           H        SER   9  -7.814  -2.348  18.108
   51    HA   SER   9           HA       SER   9  -8.083  -3.716  20.524
   52   1HB   SER   9          1HB       SER   9  -8.128  -4.805  17.654
   53   2HB   SER   9          2HB       SER   9  -8.676  -5.744  19.056
   54    HG   SER   9           HG       SER   9 -10.018  -3.897  17.743
   55    OH   TYR  10           OH       TYR  10  -5.019  -8.945  14.476
   56    H    TYR  10           H        TYR  10  -5.446  -3.550  18.461
   57    HA   TYR  10           HA       TYR  10  -4.093  -5.943  19.414
   58   1HB   TYR  10          1HB       TYR  10  -3.591  -3.751  17.396
   59   2HB   TYR  10          2HB       TYR  10  -2.247  -4.761  17.920
   60    HD1  TYR  10           HD2      TYR  10  -2.727  -7.264  17.968
   61    HD2  TYR  10           HD1      TYR  10  -4.982  -4.566  15.641
   62    HE1  TYR  10           HE2      TYR  10  -3.347  -9.112  16.527
   63    HE2  TYR  10           HE1      TYR  10  -5.726  -6.393  14.215
   64    HH   TYR  10           HH       TYR  10  -4.241  -9.426  14.185
   65    H    ASP  11           H        ASP  11  -2.614  -2.873  18.826
   66    HA   ASP  11           HA       ASP  11  -0.814  -1.922  20.027
   67   1HB   ASP  11          1HB       ASP  11  -3.349  -1.141  20.522
   68   2HB   ASP  11          2HB       ASP  11  -2.851  -1.560  22.164
   69    H    GLY  12           H        GLY  12  -0.987  -4.825  20.666
   70   1HA   GLY  12          1HA       GLY  12   0.731  -4.743  22.982
   71   2HA   GLY  12          2HA       GLY  12  -0.863  -5.310  23.432
   72    OH   TYR  13           OH       TYR  13   0.793 -12.111  15.192
   73    H    TYR  13           H        TYR  13  -0.479  -6.485  20.330
   74    HA   TYR  13           HA       TYR  13   0.479  -9.053  21.488
   75   1HB   TYR  13          1HB       TYR  13  -1.356  -9.770  20.353
   76   2HB   TYR  13          2HB       TYR  13  -1.447  -8.316  19.394
   77    HD1  TYR  13           HD1      TYR  13   0.666 -11.440  19.660
   78    HD2  TYR  13           HD2      TYR  13  -0.974  -8.436  17.130
   79    HE1  TYR  13           HE1      TYR  13   1.239 -12.768  17.691
   80    HE2  TYR  13           HE2      TYR  13  -0.450  -9.798  15.173
   81    HH   TYR  13           HH       TYR  13   0.976 -11.505  14.471
   82    H    CYS  14           H        CYS  14   1.499  -6.620  19.188
   83    HA   CYS  14           HA       CYS  14   3.380  -8.451  17.896
   84   1HB   CYS  14          1HB       CYS  14   2.664  -5.596  17.715
   85   2HB   CYS  14          2HB       CYS  14   4.387  -5.844  17.580
   86    H    LEU  15           H        LEU  15   5.312  -9.022  18.529
   87    HA   LEU  15           HA       LEU  15   6.423  -7.850  20.994
   88   1HB   LEU  15          1HB       LEU  15   6.296 -10.465  19.681
   89   2HB   LEU  15          2HB       LEU  15   7.883 -10.087  20.340
   90    HG   LEU  15           HG       LEU  15   6.881  -9.537  22.484
   91   1HD1  LEU  15          1HD1      LEU  15   4.396  -9.793  20.867
   92   2HD1  LEU  15          2HD1      LEU  15   4.277 -10.382  22.519
   93   3HD1  LEU  15          3HD1      LEU  15   4.741  -8.720  22.218
   94   1HD2  LEU  15          3HD2      LEU  15   6.775 -12.145  21.212
   95   2HD2  LEU  15          1HD2      LEU  15   7.344 -11.700  22.816
   96   3HD2  LEU  15          2HD2      LEU  15   5.648 -12.050  22.554
   97    H    ASN  16           H        ASN  16   8.522  -7.489  21.304
   98    HA   ASN  16           HA       ASN  16  10.445  -6.210  20.665
   99   1HB   ASN  16          1HB       ASN  16  10.714  -8.689  18.999
  100   2HB   ASN  16          2HB       ASN  16  11.981  -7.810  19.858
  101   1HD2  ASN  16          2HD2      ASN  16  10.486 -10.770  21.801
  102   2HD2  ASN  16          1HD2      ASN  16  10.947 -10.633  20.167
  103    H    GLY  17           H        GLY  17   9.976  -4.420  19.485
  104   1HA   GLY  17          1HA       GLY  17   9.589  -3.108  17.552
  105   2HA   GLY  17          2HA       GLY  17  10.982  -4.014  16.969
  106    H    GLY  18           H        GLY  18   8.065  -5.690  17.767
  107   1HA   GLY  18          1HA       GLY  18   7.864  -6.889  15.187
  108   2HA   GLY  18          2HA       GLY  18   6.604  -6.923  16.418
  109    H    VAL  19           H        VAL  19   7.618  -5.567  13.470
  110    HA   VAL  19           HA       VAL  19   6.029  -3.198  13.540
  111    HB   VAL  19           HB       VAL  19   6.525  -4.753  11.006
  112   1HG1  VAL  19          1HG1      VAL  19   5.393  -2.450  11.155
  113   2HG1  VAL  19          2HG1      VAL  19   6.979  -1.823  11.592
  114   3HG1  VAL  19          3HG1      VAL  19   6.736  -2.589  10.026
  115   1HG2  VAL  19          2HG2      VAL  19   8.571  -3.676  12.899
  116   2HG2  VAL  19          3HG2      VAL  19   8.689  -5.033  11.784
  117   3HG2  VAL  19          1HG2      VAL  19   8.840  -3.386  11.181
  118    H    CYS  20           H        CYS  20   3.925  -3.241  13.828
  119    HA   CYS  20           HA       CYS  20   2.337  -5.588  13.223
  120   1HB   CYS  20          1HB       CYS  20   0.898  -4.586  14.643
  121   2HB   CYS  20          2HB       CYS  20   2.098  -3.335  14.849
  122    H    MET  21           H        MET  21   1.068  -5.975  11.484
  123    HA   MET  21           HA       MET  21   1.029  -3.867   9.362
  124   1HB   MET  21          1HB       MET  21   1.804  -6.683   9.348
  125   2HB   MET  21          2HB       MET  21   0.543  -6.370   8.160
  126   1HG   MET  21          1HG       MET  21   3.054  -4.737   8.480
  127   2HG   MET  21          2HG       MET  21   2.879  -6.035   7.327
  128   1HE   MET  21          3HE       MET  21   1.662  -5.995   5.189
  129   2HE   MET  21          1HE       MET  21   1.886  -4.507   4.271
  130   3HE   MET  21          2HE       MET  21   3.243  -5.212   5.147
  131    H    HIS  22           H        HIS  22  -0.717  -3.783   7.979
  132    HA   HIS  22           HA       HIS  22  -3.218  -5.211   8.612
  133   1HB   HIS  22          1HB       HIS  22  -3.411  -3.453  10.270
  134   2HB   HIS  22          2HB       HIS  22  -2.829  -2.231   9.138
  135    HD1  HIS  22           HD1      HIS  22  -5.198  -1.089   9.534
  136    HD2  HIS  22           HD2      HIS  22  -5.437  -4.703   7.679
  137    HE1  HIS  22           HE1      HIS  22  -7.477  -1.242   8.682
  138    H    ILE  23           H        ILE  23  -3.120  -5.822   6.385
  139    HA   ILE  23           HA       ILE  23  -2.877  -3.803   4.346
  140    HB   ILE  23           HB       ILE  23  -4.125  -6.543   3.978
  141   1HG1  ILE  23          1HG1      ILE  23  -1.396  -6.704   3.302
  142   2HG1  ILE  23          2HG1      ILE  23  -1.430  -5.927   4.878
  143   1HG2  ILE  23          3HG2      ILE  23  -4.111  -4.876   2.088
  144   2HG2  ILE  23          1HG2      ILE  23  -2.354  -4.807   2.197
  145   3HG2  ILE  23          2HG2      ILE  23  -3.152  -6.302   1.716
  146   1HD1  ILE  23          2HD1      ILE  23  -2.919  -7.746   5.714
  147   2HD1  ILE  23          3HD1      ILE  23  -2.807  -8.533   4.144
  148   3HD1  ILE  23          1HD1      ILE  23  -1.372  -8.369   5.153
  149    H    GLU  24           H        GLU  24  -4.406  -2.442   3.789
  150    HA   GLU  24           HA       GLU  24  -7.048  -2.509   4.851
  151   1HB   GLU  24          1HB       GLU  24  -5.468  -0.836   3.049
  152   2HB   GLU  24          2HB       GLU  24  -7.117  -0.988   2.454
  153   1HG   GLU  24          1HG       GLU  24  -7.940  -0.371   4.754
  154   2HG   GLU  24          2HG       GLU  24  -6.269  -0.080   5.228
  155    H    SER  25           H        SER  25  -8.975  -2.275   3.232
  156    HA   SER  25           HA       SER  25 -10.367  -3.245   1.607
  157   1HB   SER  25          1HB       SER  25  -7.931  -3.336   0.365
  158   2HB   SER  25          2HB       SER  25  -8.226  -5.075   0.563
  159    HG   SER  25           HG       SER  25  -9.345  -3.455  -1.179
  160    H    LEU  26           H        LEU  26  -7.954  -5.652   2.573
  161    HA   LEU  26           HA       LEU  26  -9.979  -7.654   2.907
  162   1HB   LEU  26          1HB       LEU  26  -7.021  -7.651   3.626
  163   2HB   LEU  26          2HB       LEU  26  -8.045  -9.082   3.604
  164    HG   LEU  26           HG       LEU  26  -8.418  -7.746   1.114
  165   1HD1  LEU  26          2HD1      LEU  26  -6.258  -6.609   1.610
  166   2HD1  LEU  26          3HD1      LEU  26  -5.495  -8.183   1.825
  167   3HD1  LEU  26          1HD1      LEU  26  -6.113  -7.712   0.244
  168   1HD2  LEU  26          1HD2      LEU  26  -6.893 -10.263   1.867
  169   2HD2  LEU  26          2HD2      LEU  26  -8.608 -10.165   1.482
  170   3HD2  LEU  26          3HD2      LEU  26  -7.407  -9.851   0.235
  171    H    ASP  27           H        ASP  27  -8.552  -5.257   4.834
  172    HA   ASP  27           HA       ASP  27  -8.717  -4.747   7.113
  173   1HB   ASP  27          1HB       ASP  27 -11.119  -6.624   7.050
  174   2HB   ASP  27          2HB       ASP  27 -10.880  -5.225   8.094
  175    H    SER  28           H        SER  28  -7.325  -7.264   6.218
  176    HA   SER  28           HA       SER  28  -7.734  -9.068   8.451
  177   1HB   SER  28          1HB       SER  28  -6.775 -10.520   6.927
  178   2HB   SER  28          2HB       SER  28  -6.429  -9.154   5.850
  179    HG   SER  28           HG       SER  28  -4.897 -10.098   8.039
  180    OH   TYR  29           OH       TYR  29  -8.827  -4.420  10.472
  181    H    TYR  29           H        TYR  29  -5.450  -9.867   9.456
  182    HA   TYR  29           HA       TYR  29  -3.784  -7.501  10.084
  183   1HB   TYR  29          1HB       TYR  29  -5.297  -9.128  12.167
  184   2HB   TYR  29          2HB       TYR  29  -4.139  -7.842  12.533
  185    HD1  TYR  29           HD2      TYR  29  -4.546  -5.586  11.317
  186    HD2  TYR  29           HD1      TYR  29  -7.551  -8.539  11.832
  187    HE1  TYR  29           HE2      TYR  29  -6.225  -4.004  10.571
  188    HE2  TYR  29           HE1      TYR  29  -9.251  -6.935  11.126
  189    HH   TYR  29           HH       TYR  29  -8.487  -3.927   9.722
  190    H    THR  30           H        THR  30  -1.759  -7.933  10.815
  191    HA   THR  30           HA       THR  30  -0.933 -10.546  11.715
  192    HB   THR  30           HB       THR  30  -1.167 -11.081   9.278
  193    HG1  THR  30           HG1      THR  30   1.451 -10.956   9.167
  194   1HG2  THR  30          2HG2      THR  30  -0.540  -8.482   8.751
  195   2HG2  THR  30          3HG2      THR  30   1.090  -9.146   8.707
  196   3HG2  THR  30          1HG2      THR  30  -0.139  -9.749   7.599
  197    H    CYS  31           H        CYS  31   1.039 -10.473  12.621
  198    HA   CYS  31           HA       CYS  31   2.302  -7.811  12.749
  199   1HB   CYS  31          1HB       CYS  31   2.381 -10.324  14.369
  200   2HB   CYS  31          2HB       CYS  31   3.824  -9.346  14.393
  201    H    ASN  32           H        ASN  32   4.630  -7.571  12.476
  202    HA   ASN  32           HA       ASN  32   5.826  -9.674  10.708
  203   1HB   ASN  32          1HB       ASN  32   5.004  -7.006  10.011
  204   2HB   ASN  32          2HB       ASN  32   6.760  -7.047   9.957
  205   1HD2  ASN  32          2HD2      ASN  32   6.758  -8.713   6.874
  206   2HD2  ASN  32          1HD2      ASN  32   7.545  -7.672   7.958
  207    H    CYS  33           H        CYS  33   7.741 -10.336  11.403
  208    HA   CYS  33           HA       CYS  33   9.155  -8.699  13.426
  209   1HB   CYS  33          1HB       CYS  33  10.202 -11.336  12.441
  210   2HB   CYS  33          2HB       CYS  33  10.239 -10.674  14.059
  211    H    VAL  34           H        VAL  34  11.786  -9.958  12.653
  212    HA   VAL  34           HA       VAL  34  12.329  -8.991   9.974
  213    HB   VAL  34           HB       VAL  34  14.011  -7.344  11.661
  214   1HG1  VAL  34          1HG1      VAL  34  13.540  -7.067   9.236
  215   2HG1  VAL  34          2HG1      VAL  34  11.888  -6.609   9.638
  216   3HG1  VAL  34          3HG1      VAL  34  13.233  -5.596  10.154
  217   1HG2  VAL  34          2HG2      VAL  34  11.851  -7.432  13.127
  218   2HG2  VAL  34          3HG2      VAL  34  12.544  -5.876  12.742
  219   3HG2  VAL  34          1HG2      VAL  34  11.145  -6.462  11.851
  220    H    ILE  35           H        ILE  35  14.936  -8.325  10.159
  221    HA   ILE  35           HA       ILE  35  16.219 -10.874  10.318
  222    HB   ILE  35           HB       ILE  35  17.078  -9.458   8.648
  223   1HG1  ILE  35          1HG1      ILE  35  18.955  -8.469  10.782
  224   2HG1  ILE  35          2HG1      ILE  35  18.976 -10.151  10.250
  225   1HG2  ILE  35          1HG2      ILE  35  16.383  -7.316  10.636
  226   2HG2  ILE  35          2HG2      ILE  35  17.687  -6.934   9.537
  227   3HG2  ILE  35          3HG2      ILE  35  16.103  -7.361   8.907
  228   1HD1  ILE  35          1HD1      ILE  35  18.936  -8.191   8.044
  229   2HD1  ILE  35          2HD1      ILE  35  20.386  -8.141   9.039
  230   3HD1  ILE  35          3HD1      ILE  35  19.916  -9.637   8.246
  231    H    GLY  36           H        GLY  36  15.134 -10.094  12.797
  232   1HA   GLY  36          1HA       GLY  36  17.207 -10.886  14.590
  233   2HA   GLY  36          2HA       GLY  36  17.021  -9.140  14.713
  234    OH   TYR  37           OH       TYR  37  14.570  -4.778  17.306
  235    H    TYR  37           H        TYR  37  14.317 -10.878  13.801
  236    HA   TYR  37           HA       TYR  37  13.245 -11.069  16.503
  237   1HB   TYR  37          1HB       TYR  37  12.051  -9.399  14.291
  238   2HB   TYR  37          2HB       TYR  37  11.325  -9.645  15.864
  239    HD1  TYR  37           HD2      TYR  37  12.634  -8.771  17.962
  240    HD2  TYR  37           HD1      TYR  37  13.881  -7.755  14.017
  241    HE1  TYR  37           HE2      TYR  37  13.550  -6.721  18.737
  242    HE2  TYR  37           HE1      TYR  37  14.570  -5.549  14.783
  243    HH   TYR  37           HH       TYR  37  14.257  -4.082  16.724
  244    H    SER  38           H        SER  38  12.285 -12.997  16.659
  245    HA   SER  38           HA       SER  38  10.434 -13.929  14.622
  246   1HB   SER  38          1HB       SER  38  11.712 -15.704  13.660
  247   2HB   SER  38          2HB       SER  38  12.951 -14.449  13.849
  248    HG   SER  38           HG       SER  38  12.931 -16.804  14.973
  249    H    GLY  39           H        GLY  39  10.526 -16.672  15.112
  250   1HA   GLY  39          1HA       GLY  39  10.304 -18.307  16.896
  251   2HA   GLY  39          2HA       GLY  39  10.244 -16.985  18.064
  252    H    ASP  40           H        ASP  40   8.223 -17.481  19.014
  253    HA   ASP  40           HA       ASP  40   5.893 -18.386  17.745
  254   1HB   ASP  40          1HB       ASP  40   6.303 -16.364  20.003
  255   2HB   ASP  40          2HB       ASP  40   4.686 -16.841  19.496
  256    NH1  ARG  41           NH2      ARG  41   3.459 -14.145  22.330
  257    NH2  ARG  41           NH1      ARG  41   2.681 -12.168  23.181
  258    H    ARG  41           H        ARG  41   5.760 -15.050  18.744
  259    HA   ARG  41           HA       ARG  41   4.660 -14.371  16.074
  260   1HB   ARG  41          1HB       ARG  41   5.086 -12.115  17.986
  261   2HB   ARG  41          2HB       ARG  41   3.627 -12.557  17.125
  262   1HG   ARG  41          1HG       ARG  41   2.857 -13.925  18.857
  263   2HG   ARG  41          2HG       ARG  41   4.472 -14.186  19.518
  264   1HD   ARG  41          1HD       ARG  41   4.558 -12.087  20.499
  265   2HD   ARG  41          2HD       ARG  41   3.363 -11.415  19.401
  266    HE   ARG  41           HE       ARG  41   1.624 -12.507  20.728
  267   1HH1  ARG  41          1HH2      ARG  41   3.617 -14.732  21.536
  268   2HH1  ARG  41          2HH2      ARG  41   3.724 -14.457  23.243
  269   1HH2  ARG  41          1HH1      ARG  41   2.258 -11.276  23.024
  270   2HH2  ARG  41          2HH1      ARG  41   2.936 -12.445  24.106
  271    H    CYS  42           H        CYS  42   6.868 -13.001  18.394
  272    HA   CYS  42           HA       CYS  42   9.196 -12.989  16.778
  273   1HB   CYS  42          1HB       CYS  42   8.102 -10.238  17.300
  274   2HB   CYS  42          2HB       CYS  42   9.408 -10.696  16.247
  275    H    GLN  43           H        GLN  43   8.339 -13.710  19.347
  276    HA   GLN  43           HA       GLN  43   9.079 -11.781  21.335
  277   1HB   GLN  43          1HB       GLN  43   8.705 -13.514  22.879
  278   2HB   GLN  43          2HB       GLN  43   7.811 -14.154  21.508
  279   1HG   GLN  43          1HG       GLN  43  10.023 -15.325  20.850
  280   2HG   GLN  43          2HG       GLN  43  10.571 -14.933  22.478
  281   1HE2  GLN  43          2HE2      GLN  43   7.740 -17.825  21.963
  282   2HE2  GLN  43          1HE2      GLN  43   8.193 -16.837  20.659
  283    H    THR  44           H        THR  44  10.966 -13.861  19.325
  284    HA   THR  44           HA       THR  44  13.255 -13.726  21.114
  285    HB   THR  44           HB       THR  44  13.470 -14.780  18.295
  286    HG1  THR  44           HG1      THR  44  12.088 -16.350  18.776
  287   1HG2  THR  44          2HG2      THR  44  15.226 -14.955  20.308
  288   2HG2  THR  44          3HG2      THR  44  14.105 -16.161  20.934
  289   3HG2  THR  44          1HG2      THR  44  14.881 -16.403  19.372
  290    NH1  ARG  45           NH1      ARG  45  14.758  -4.560  22.325
  291    NH2  ARG  45           NH2      ARG  45  16.122  -5.388  23.964
  292    H    ARG  45           H        ARG  45  14.015 -11.658  21.212
  293    HA   ARG  45           HA       ARG  45  14.609 -10.121  18.774
  294   1HB   ARG  45          1HB       ARG  45  13.757  -9.149  20.953
  295   2HB   ARG  45          2HB       ARG  45  15.253  -9.655  21.731
  296   1HG   ARG  45          1HG       ARG  45  16.547  -8.146  20.553
  297   2HG   ARG  45          2HG       ARG  45  15.415  -8.042  19.221
  298   1HD   ARG  45          1HD       ARG  45  15.141  -5.977  20.354
  299   2HD   ARG  45          2HD       ARG  45  13.799  -6.950  20.943
  300    HE   ARG  45           HE       ARG  45  15.687  -7.509  22.809
  301   1HH1  ARG  45          1HH1      ARG  45  14.235  -4.718  21.487
  302   2HH1  ARG  45          2HH1      ARG  45  14.775  -3.652  22.739
  303   1HH2  ARG  45          1HH2      ARG  45  16.617  -6.164  24.353
  304   2HH2  ARG  45          2HH2      ARG  45  16.163  -4.495  24.411
  305    H    ASP  46           H        ASP  46  16.219 -11.442  17.815
  306    HA   ASP  46           HA       ASP  46  18.310 -12.885  18.897
  307   1HB   ASP  46          1HB       ASP  46  18.549 -11.101  16.451
  308   2HB   ASP  46          2HB       ASP  46  19.470 -12.569  16.771
  309    H    LEU  47           H        LEU  47  20.696 -12.059  17.997
  310    HA   LEU  47           HA       LEU  47  21.437  -9.811  19.851
  311   1HB   LEU  47          1HB       LEU  47  23.311 -11.976  18.826
  312   2HB   LEU  47          2HB       LEU  47  23.478 -10.998  20.274
  313    HG   LEU  47           HG       LEU  47  21.341 -13.128  19.851
  314   1HD1  LEU  47          2HD1      LEU  47  23.989 -13.109  21.309
  315   2HD1  LEU  47          3HD1      LEU  47  22.710 -14.249  21.717
  316   3HD1  LEU  47          1HD1      LEU  47  23.421 -14.262  20.105
  317   1HD2  LEU  47          3HD2      LEU  47  22.121 -11.460  22.268
  318   2HD2  LEU  47          1HD2      LEU  47  20.610 -11.334  21.373
  319   3HD2  LEU  47          2HD2      LEU  47  20.967 -12.787  22.296
  320    NH1  ARG  48           NH2      ARG  48  21.194 -11.387  10.618
  321    NH2  ARG  48           NH1      ARG  48  23.323 -12.195  10.798
  322    H    ARG  48           H        ARG  48  20.748  -9.581  16.859
  323    HA   ARG  48           HA       ARG  48  23.278  -8.371  16.057
  324   1HB   ARG  48          1HB       ARG  48  22.094  -9.076  13.663
  325   2HB   ARG  48          2HB       ARG  48  23.391  -9.960  14.451
  326   1HG   ARG  48          1HG       ARG  48  21.823 -11.391  15.608
  327   2HG   ARG  48          2HG       ARG  48  20.460 -10.415  15.076
  328   1HD   ARG  48          1HD       ARG  48  21.523 -12.667  13.759
  329   2HD   ARG  48          2HD       ARG  48  20.344 -11.534  13.104
  330    HE   ARG  48           HE       ARG  48  23.043 -10.523  12.803
  331   1HH1  ARG  48          1HH2      ARG  48  20.423 -10.909  11.036
  332   2HH1  ARG  48          2HH2      ARG  48  21.132 -11.705   9.673
  333   1HH2  ARG  48          1HH1      ARG  48  24.146 -12.326  11.351
  334   2HH2  ARG  48          2HH1      ARG  48  23.298 -12.522   9.853
  335    CH2  TRP  49           CH2      TRP  49  16.499  -2.284  12.101
  336    H    TRP  49           H        TRP  49  20.310  -8.451  14.359
  337    HA   TRP  49           HA       TRP  49  20.066  -6.193  13.060
  338   1HB   TRP  49          1HB       TRP  49  18.345  -7.954  13.422
  339   2HB   TRP  49          2HB       TRP  49  17.842  -7.152  14.873
  340    HD1  TRP  49           HD1      TRP  49  15.785  -7.708  13.094
  341    HE1  TRP  49           HE1      TRP  49  14.350  -5.730  12.655
  342    HE3  TRP  49           HE3      TRP  49  19.282  -4.056  12.730
  343    HZ2  TRP  49           HZ2      TRP  49  14.528  -3.110  12.134
  344    HZ3  TRP  49           HZ3      TRP  49  18.567  -1.775  12.215
  345    HH2  TRP  49           HH2      TRP  49  16.185  -1.289  11.828
  346    CH2  TRP  50           CH2      TRP  50  21.034  -7.134  19.325
  347    H    TRP  50           H        TRP  50  17.693  -5.263  14.945
  348    HA   TRP  50           HA       TRP  50  17.617  -2.756  15.411
  349   1HB   TRP  50          1HB       TRP  50  18.120  -3.082  18.095
  350   2HB   TRP  50          2HB       TRP  50  16.604  -3.518  17.316
  351    HD1  TRP  50           HD1      TRP  50  16.492  -6.025  16.280
  352    HE1  TRP  50           HE1      TRP  50  17.687  -8.102  17.015
  353    HE3  TRP  50           HE3      TRP  50  19.947  -3.965  19.211
  354    HZ2  TRP  50           HZ2      TRP  50  20.080  -8.752  18.366
  355    HZ3  TRP  50           HZ3      TRP  50  21.766  -5.360  20.150
  356    HH2  TRP  50           HH2      TRP  50  21.854  -7.709  19.711
  357    H    GLU  51           H        GLU  51  19.373  -1.835  14.421
  358    HA   GLU  51           HA       GLU  51  21.970  -1.817  15.534
  359   1HB   GLU  51          1HB       GLU  51  20.582   0.003  13.550
  360   2HB   GLU  51          2HB       GLU  51  22.295   0.134  13.934
  361   1HG   GLU  51          1HG       GLU  51  21.245  -2.577  13.231
  362   2HG   GLU  51          2HG       GLU  51  21.426  -1.415  11.918
  363    H    LEU  52           H        LEU  52  23.101  -0.035  16.414
  364    HA   LEU  52           HA       LEU  52  22.075   1.088  18.672
  365   1HB   LEU  52          1HB       LEU  52  24.172   2.125  16.735
  366   2HB   LEU  52          2HB       LEU  52  23.871   2.913  18.280
  367    HG   LEU  52           HG       LEU  52  24.234  -0.042  18.357
  368   1HD1  LEU  52          1HD1      LEU  52  26.395   1.925  17.590
  369   2HD1  LEU  52          2HD1      LEU  52  26.784   0.444  18.462
  370   3HD1  LEU  52          3HD1      LEU  52  26.036   0.357  16.871
  371   1HD2  LEU  52          2HD2      LEU  52  23.888   1.667  20.301
  372   2HD2  LEU  52          3HD2      LEU  52  25.136   0.437  20.490
  373   3HD2  LEU  52          1HD2      LEU  52  25.578   2.080  20.032
  374    NH1  ARG  53           NH1      ARG  53  24.523   6.397  19.508
  375    NH2  ARG  53           NH2      ARG  53  24.873   8.457  18.579
  376    H    ARG  53           H        ARG  53  20.826   2.772  19.213
  377    HA   ARG  53           HA       ARG  53  19.303   4.516  18.996
  378   1HB   ARG  53          1HB       ARG  53  21.520   5.185  17.084
  379   2HB   ARG  53          2HB       ARG  53  20.028   6.094  16.904
  380   1HG   ARG  53          1HG       ARG  53  20.103   6.703  19.298
  381   2HG   ARG  53          2HG       ARG  53  21.583   5.773  19.495
  382   1HD   ARG  53          1HD       ARG  53  22.309   7.349  17.402
  383   2HD   ARG  53          2HD       ARG  53  21.169   8.423  18.208
  384    HE   ARG  53           HE       ARG  53  22.586   8.318  20.209
  385   1HH1  ARG  53          1HH1      ARG  53  23.898   5.751  19.945
  386   2HH1  ARG  53          2HH1      ARG  53  25.475   6.140  19.345
  387   1HH2  ARG  53          1HH2      ARG  53  24.513   9.354  18.320
  388   2HH2  ARG  53                 ARG  53  25.833   8.235  18.404
   
  Start of MODEL           7
 Raw file had 388 H/Q atoms
  Start of MODEL    7
    1   1H    ASN   1          2H        ASN   1  -5.302   2.614   1.402
    2   2H    ASN   1          3H        ASN   1  -6.007   4.131   1.114
    3   3H    ASN   1          1H        ASN   1  -4.440   3.803   0.548
    4    HA   ASN   1           HA       ASN   1  -3.797   4.886   2.372
    5   1HB   ASN   1          1HB       ASN   1  -6.607   4.263   3.214
    6   2HB   ASN   1          2HB       ASN   1  -5.447   4.568   4.505
    7   1HD2  ASN   1          2HD2      ASN   1  -6.674   7.619   2.101
    8   2HD2  ASN   1          1HD2      ASN   1  -7.151   6.020   1.789
    9    H    SER   2           H        SER   2  -5.106   1.682   2.505
   10    HA   SER   2           HA       SER   2  -4.404  -0.240   3.623
   11   1HB   SER   2          1HB       SER   2  -2.332  -0.066   2.418
   12   2HB   SER   2          2HB       SER   2  -1.829   1.373   3.326
   13    HG   SER   2           HG       SER   2  -1.624   0.133   5.158
   14    OH   TYR   3           OH       TYR   3  -9.959   5.272   8.265
   15    H    TYR   3           H        TYR   3  -4.824   2.545   5.136
   16    HA   TYR   3           HA       TYR   3  -4.631   3.323   7.344
   17   1HB   TYR   3          1HB       TYR   3  -5.986   0.721   7.164
   18   2HB   TYR   3          2HB       TYR   3  -5.460   1.142   8.794
   19    HD1  TYR   3           HD1      TYR   3  -6.077   3.431   9.704
   20    HD2  TYR   3           HD2      TYR   3  -7.845   1.855   6.172
   21    HE1  TYR   3           HE1      TYR   3  -7.927   5.030   9.918
   22    HE2  TYR   3           HE2      TYR   3  -9.679   3.477   6.367
   23    HH   TYR   3           HH       TYR   3  -9.588   6.153   8.179
   24    HA   PRO   4           HA       PRO   4  -0.612   1.501   8.592
   25   1HB   PRO   4          1HB       PRO   4   0.120   3.892   9.966
   26   2HB   PRO   4          2HB       PRO   4   0.664   3.407   8.359
   27   1HG   PRO   4          1HG       PRO   4  -1.195   5.534   9.067
   28   2HG   PRO   4          2HG       PRO   4  -0.546   5.139   7.475
   29   1HD   PRO   4          2HD       PRO   4  -3.200   4.619   8.503
   30   2HD   PRO   4          1HD       PRO   4  -2.565   4.249   6.885
   31    H    GLY   5           H        GLY   5  -0.987   0.136  10.243
   32   1HA   GLY   5          1HA       GLY   5  -0.643   0.133  12.792
   33   2HA   GLY   5          2HA       GLY   5  -1.996   1.259  12.832
   34    H    CYS   6           H        CYS   6  -3.066  -0.348  14.191
   35    HA   CYS   6           HA       CYS   6  -4.623  -2.200  12.580
   36   1HB   CYS   6          1HB       CYS   6  -4.082  -3.944  14.524
   37   2HB   CYS   6          2HB       CYS   6  -2.988  -3.774  13.176
   38    HA   PRO   7           HA       PRO   7  -7.953  -1.071  15.218
   39   1HB   PRO   7          1HB       PRO   7  -8.288  -3.910  16.062
   40   2HB   PRO   7          2HB       PRO   7  -9.433  -2.873  15.211
   41   1HG   PRO   7          1HG       PRO   7  -7.849  -4.962  14.049
   42   2HG   PRO   7          2HG       PRO   7  -8.800  -3.747  13.185
   43   1HD   PRO   7          2HD       PRO   7  -5.942  -3.958  13.336
   44   2HD   PRO   7          1HD       PRO   7  -6.878  -2.713  12.480
   45    H    SER   8           H        SER   8  -8.426  -0.920  17.583
   46    HA   SER   8           HA       SER   8  -6.019  -0.869  19.126
   47   1HB   SER   8          1HB       SER   8  -7.562  -0.591  21.115
   48   2HB   SER   8          2HB       SER   8  -7.979   0.511  19.784
   49    HG   SER   8           HG       SER   8  -9.037  -2.064  19.704
   50    H    SER   9           H        SER   9  -8.301  -3.392  18.500
   51    HA   SER   9           HA       SER   9  -8.022  -5.079  20.702
   52   1HB   SER   9          1HB       SER   9  -9.260  -6.258  19.121
   53   2HB   SER   9          2HB       SER   9  -8.429  -5.464  17.772
   54    HG   SER   9           HG       SER   9  -7.931  -7.773  18.172
   55    OH   TYR  10           OH       TYR  10  -5.194  -8.703  14.440
   56    H    TYR  10           H        TYR  10  -5.663  -3.976  18.567
   57    HA   TYR  10           HA       TYR  10  -3.725  -6.059  19.156
   58   1HB   TYR  10          1HB       TYR  10  -3.765  -3.529  17.484
   59   2HB   TYR  10          2HB       TYR  10  -2.275  -4.444  17.722
   60    HD1  TYR  10           HD1      TYR  10  -5.794  -4.753  16.545
   61    HD2  TYR  10           HD2      TYR  10  -1.926  -6.415  16.543
   62    HE1  TYR  10           HE1      TYR  10  -6.578  -6.570  15.135
   63    HE2  TYR  10           HE2      TYR  10  -2.689  -8.326  15.266
   64    HH   TYR  10           HH       TYR  10  -5.262  -9.428  15.068
   65    H    ASP  11           H        ASP  11  -3.255  -2.583  19.170
   66    HA   ASP  11           HA       ASP  11  -1.712  -1.375  20.483
   67   1HB   ASP  11          1HB       ASP  11  -4.209  -1.581  21.346
   68   2HB   ASP  11          2HB       ASP  11  -3.440  -2.409  22.708
   69    H    GLY  12           H        GLY  12  -0.931  -4.305  20.279
   70   1HA   GLY  12          1HA       GLY  12   1.337  -4.353  21.829
   71   2HA   GLY  12          2HA       GLY  12   0.105  -4.868  22.965
   72    OH   TYR  13           OH       TYR  13   0.899 -11.435  14.295
   73    H    TYR  13           H        TYR  13   0.059  -5.839  19.539
   74    HA   TYR  13           HA       TYR  13   0.490  -8.644  20.513
   75   1HB   TYR  13          1HB       TYR  13  -1.464  -8.882  19.310
   76   2HB   TYR  13          2HB       TYR  13  -1.190  -7.426  18.375
   77    HD1  TYR  13           HD1      TYR  13  -0.241 -11.018  18.651
   78    HD2  TYR  13           HD2      TYR  13  -0.044  -7.498  16.292
   79    HE1  TYR  13           HE1      TYR  13   0.485 -12.339  16.745
   80    HE2  TYR  13           HE2      TYR  13   0.455  -8.843  14.320
   81    HH   TYR  13           HH       TYR  13   0.768 -10.894  13.509
   82    H    CYS  14           H        CYS  14   2.176  -6.214  19.153
   83    HA   CYS  14           HA       CYS  14   3.881  -8.020  17.495
   84   1HB   CYS  14          1HB       CYS  14   3.177  -5.141  17.484
   85   2HB   CYS  14          2HB       CYS  14   4.877  -5.443  17.254
   86    H    LEU  15           H        LEU  15   5.606  -8.866  18.545
   87    HA   LEU  15           HA       LEU  15   6.647  -7.581  20.977
   88   1HB   LEU  15          1HB       LEU  15   6.716 -10.211  19.682
   89   2HB   LEU  15          2HB       LEU  15   8.291  -9.713  20.258
   90    HG   LEU  15           HG       LEU  15   6.962 -11.053  21.882
   91   1HD1  LEU  15          2HD1      LEU  15   8.809  -9.609  22.621
   92   2HD1  LEU  15          3HD1      LEU  15   7.692  -8.269  22.821
   93   3HD1  LEU  15          1HD1      LEU  15   7.539  -9.697  23.833
   94   1HD2  LEU  15          3HD2      LEU  15   4.881  -9.486  21.172
   95   2HD2  LEU  15          1HD2      LEU  15   4.935 -10.432  22.654
   96   3HD2  LEU  15          2HD2      LEU  15   5.360  -8.715  22.682
   97    H    ASN  16           H        ASN  16   9.067  -7.800  21.250
   98    HA   ASN  16           HA       ASN  16  10.910  -6.259  20.670
   99   1HB   ASN  16          1HB       ASN  16  11.326  -8.747  19.056
  100   2HB   ASN  16          2HB       ASN  16  12.485  -7.865  20.055
  101   1HD2  ASN  16          2HD2      ASN  16  10.822 -10.933  21.721
  102   2HD2  ASN  16          1HD2      ASN  16  11.331 -10.717  20.110
  103    H    GLY  17           H        GLY  17  10.622  -4.532  19.414
  104   1HA   GLY  17          1HA       GLY  17  10.372  -3.257  17.437
  105   2HA   GLY  17          2HA       GLY  17  11.704  -4.278  16.903
  106    H    GLY  18           H        GLY  18   8.181  -4.465  17.339
  107   1HA   GLY  18          1HA       GLY  18   8.036  -5.904  14.712
  108   2HA   GLY  18          2HA       GLY  18   7.008  -6.324  16.077
  109    H    VAL  19           H        VAL  19   6.839  -4.908  13.217
  110    HA   VAL  19           HA       VAL  19   5.142  -2.659  14.072
  111    HB   VAL  19           HB       VAL  19   5.860  -3.388  11.225
  112   1HG1  VAL  19          1HG1      VAL  19   4.119  -1.579  11.960
  113   2HG1  VAL  19          2HG1      VAL  19   5.532  -0.637  12.418
  114   3HG1  VAL  19          3HG1      VAL  19   5.315  -1.145  10.747
  115   1HG2  VAL  19          2HG2      VAL  19   7.549  -2.206  13.392
  116   2HG2  VAL  19          3HG2      VAL  19   8.027  -3.222  12.036
  117   3HG2  VAL  19          1HG2      VAL  19   7.691  -1.514  11.782
  118    H    CYS  20           H        CYS  20   2.991  -2.793  14.009
  119    HA   CYS  20           HA       CYS  20   1.781  -5.267  13.006
  120   1HB   CYS  20          1HB       CYS  20   0.043  -4.756  14.384
  121   2HB   CYS  20          2HB       CYS  20   1.216  -3.697  15.120
  122    H    MET  21           H        MET  21   1.384  -5.470  10.942
  123    HA   MET  21           HA       MET  21   0.802  -3.100   9.282
  124   1HB   MET  21          1HB       MET  21   1.359  -6.035   8.721
  125   2HB   MET  21          2HB       MET  21   0.749  -4.988   7.454
  126   1HG   MET  21          1HG       MET  21   2.838  -3.534   8.587
  127   2HG   MET  21          2HG       MET  21   3.423  -5.172   8.604
  128   1HE   MET  21          1HE       MET  21   1.589  -2.641   6.812
  129   2HE   MET  21          2HE       MET  21   2.454  -2.340   5.306
  130   3HE   MET  21          3HE       MET  21   1.205  -3.582   5.372
  131    H    HIS  22           H        HIS  22  -0.862  -3.239   7.658
  132    HA   HIS  22           HA       HIS  22  -3.241  -4.878   8.296
  133   1HB   HIS  22          1HB       HIS  22  -3.472  -3.023   9.862
  134   2HB   HIS  22          2HB       HIS  22  -3.180  -1.845   8.583
  135    HD1  HIS  22           HD1      HIS  22  -5.688  -1.156   9.362
  136    HD2  HIS  22           HD2      HIS  22  -5.444  -4.695   7.368
  137    HE1  HIS  22           HE1      HIS  22  -7.992  -1.803   8.880
  138    H    ILE  23           H        ILE  23  -3.626  -5.554   6.226
  139    HA   ILE  23           HA       ILE  23  -3.509  -3.574   4.056
  140    HB   ILE  23           HB       ILE  23  -4.347  -6.386   3.503
  141   1HG1  ILE  23          1HG1      ILE  23  -1.665  -6.755   3.416
  142   2HG1  ILE  23          2HG1      ILE  23  -1.759  -5.712   4.826
  143   1HG2  ILE  23          3HG2      ILE  23  -3.820  -4.437   1.856
  144   2HG2  ILE  23          1HG2      ILE  23  -2.132  -4.739   2.238
  145   3HG2  ILE  23          2HG2      ILE  23  -3.100  -6.001   1.490
  146   1HD1  ILE  23          2HD1      ILE  23  -3.573  -7.269   5.717
  147   2HD1  ILE  23          3HD1      ILE  23  -3.190  -8.354   4.387
  148   3HD1  ILE  23          1HD1      ILE  23  -1.975  -7.994   5.606
  149    H    GLU  24           H        GLU  24  -5.322  -2.411   4.033
  150    HA   GLU  24           HA       GLU  24  -7.824  -2.984   5.038
  151   1HB   GLU  24          1HB       GLU  24  -6.712  -1.135   3.121
  152   2HB   GLU  24          2HB       GLU  24  -8.260  -1.712   2.507
  153   1HG   GLU  24          1HG       GLU  24  -9.290  -1.186   4.733
  154   2HG   GLU  24          2HG       GLU  24  -7.750  -0.508   5.252
  155    H    SER  25           H        SER  25  -6.364  -4.383   2.228
  156    HA   SER  25           HA       SER  25  -8.618  -5.250   0.811
  157   1HB   SER  25          1HB       SER  25  -6.001  -6.756   1.322
  158   2HB   SER  25          2HB       SER  25  -7.131  -7.092  -0.004
  159    HG   SER  25           HG       SER  25  -6.492  -4.440   0.319
  160    H    LEU  26           H        LEU  26  -6.782  -7.521   2.802
  161    HA   LEU  26           HA       LEU  26  -9.108  -9.103   3.256
  162   1HB   LEU  26          1HB       LEU  26  -6.371  -9.226   4.570
  163   2HB   LEU  26          2HB       LEU  26  -7.575 -10.507   4.611
  164    HG   LEU  26           HG       LEU  26  -7.339  -9.921   1.894
  165   1HD1  LEU  26          2HD1      LEU  26  -5.252  -8.594   2.631
  166   2HD1  LEU  26          3HD1      LEU  26  -4.546 -10.152   3.044
  167   3HD1  LEU  26          1HD1      LEU  26  -5.005  -9.806   1.381
  168   1HD2  LEU  26          1HD2      LEU  26  -5.916 -12.042   3.540
  169   2HD2  LEU  26          2HD2      LEU  26  -7.568 -12.152   2.944
  170   3HD2  LEU  26          3HD2      LEU  26  -6.224 -12.131   1.809
  171    H    ASP  27           H        ASP  27  -7.946  -6.339   4.737
  172    HA   ASP  27           HA       ASP  27  -8.550  -5.239   6.722
  173   1HB   ASP  27          1HB       ASP  27 -10.834  -6.366   5.779
  174   2HB   ASP  27          2HB       ASP  27 -10.697  -7.269   7.285
  175    H    SER  28           H        SER  28  -7.370  -8.305   6.615
  176    HA   SER  28           HA       SER  28  -7.608  -9.015   9.398
  177   1HB   SER  28          1HB       SER  28  -5.769  -9.986   7.149
  178   2HB   SER  28          2HB       SER  28  -5.817 -10.734   8.758
  179    HG   SER  28           HG       SER  28  -7.767 -10.642   6.752
  180    OH   TYR  29           OH       TYR  29  -8.585  -4.386  10.985
  181    H    TYR  29           H        TYR  29  -4.863  -9.735   9.928
  182    HA   TYR  29           HA       TYR  29  -3.369  -7.188   9.806
  183   1HB   TYR  29          1HB       TYR  29  -4.229  -8.464  12.437
  184   2HB   TYR  29          2HB       TYR  29  -3.184  -7.056  12.295
  185    HD1  TYR  29           HD2      TYR  29  -4.118  -5.111  10.867
  186    HD2  TYR  29           HD1      TYR  29  -6.585  -8.073  12.629
  187    HE1  TYR  29           HE2      TYR  29  -6.088  -3.728  10.496
  188    HE2  TYR  29           HE1      TYR  29  -8.565  -6.749  12.128
  189    HH   TYR  29           HH       TYR  29  -8.306  -3.474  10.886
  190    H    THR  30           H        THR  30  -1.178  -7.374  10.704
  191    HA   THR  30           HA       THR  30  -0.165  -9.958  11.512
  192    HB   THR  30           HB       THR  30  -0.499 -10.469   9.090
  193    HG1  THR  30           HG1      THR  30   2.155 -10.121   8.960
  194   1HG2  THR  30          2HG2      THR  30  -0.039  -7.870   8.528
  195   2HG2  THR  30          3HG2      THR  30   1.638  -8.408   8.476
  196   3HG2  THR  30          1HG2      THR  30   0.452  -9.109   7.377
  197    H    CYS  31           H        CYS  31   1.819  -9.821  12.350
  198    HA   CYS  31           HA       CYS  31   2.986  -7.142  12.611
  199   1HB   CYS  31          1HB       CYS  31   2.764  -8.986  14.441
  200   2HB   CYS  31          2HB       CYS  31   4.155  -9.709  13.691
  201    H    ASN  32           H        ASN  32   5.209  -6.670  12.266
  202    HA   ASN  32           HA       ASN  32   6.521  -8.415  10.228
  203   1HB   ASN  32          1HB       ASN  32   5.430  -5.804   9.828
  204   2HB   ASN  32          2HB       ASN  32   7.175  -5.595   9.855
  205   1HD2  ASN  32          2HD2      ASN  32   5.549  -7.013   6.536
  206   2HD2  ASN  32          1HD2      ASN  32   4.719  -6.133   7.727
  207    H    CYS  33           H        CYS  33   7.873  -9.273  11.747
  208    HA   CYS  33           HA       CYS  33   9.404  -7.675  13.595
  209   1HB   CYS  33          1HB       CYS  33  10.339 -10.355  12.606
  210   2HB   CYS  33          2HB       CYS  33  10.386  -9.716  14.231
  211    H    VAL  34           H        VAL  34  12.004  -9.095  12.944
  212    HA   VAL  34           HA       VAL  34  12.774  -8.046  10.360
  213    HB   VAL  34           HB       VAL  34  14.458  -6.577  12.222
  214   1HG1  VAL  34          1HG1      VAL  34  14.225  -6.197   9.791
  215   2HG1  VAL  34          2HG1      VAL  34  12.569  -5.667  10.045
  216   3HG1  VAL  34          3HG1      VAL  34  13.902  -4.735  10.714
  217   1HG2  VAL  34          2HG2      VAL  34  12.145  -6.537  13.501
  218   2HG2  VAL  34          3HG2      VAL  34  13.005  -5.036  13.232
  219   3HG2  VAL  34          1HG2      VAL  34  11.656  -5.471  12.196
  220    H    ILE  35           H        ILE  35  15.382  -7.591  10.675
  221    HA   ILE  35           HA       ILE  35  16.496 -10.186  10.770
  222    HB   ILE  35           HB       ILE  35  17.265  -8.298   9.375
  223   1HG1  ILE  35          1HG1      ILE  35  19.540  -8.978  11.223
  224   2HG1  ILE  35          2HG1      ILE  35  18.781 -10.186  10.210
  225   1HG2  ILE  35          1HG2      ILE  35  17.321  -6.938  11.978
  226   2HG2  ILE  35          2HG2      ILE  35  18.889  -6.799  11.192
  227   3HG2  ILE  35          3HG2      ILE  35  17.445  -6.233  10.375
  228   1HD1  ILE  35          3HD1      ILE  35  19.217  -8.727   8.216
  229   2HD1  ILE  35          1HD1      ILE  35  20.064  -7.600   9.275
  230   3HD1  ILE  35          2HD1      ILE  35  20.697  -9.224   9.029
  231    H    GLY  36           H        GLY  36  15.505 -10.327  13.150
  232   1HA   GLY  36          1HA       GLY  36  17.176 -11.226  14.992
  233   2HA   GLY  36          2HA       GLY  36  17.495  -9.510  15.233
  234    OH   TYR  37           OH       TYR  37  15.190  -4.707  17.958
  235    H    TYR  37           H        TYR  37  14.522 -10.830  14.193
  236    HA   TYR  37           HA       TYR  37  13.213 -10.767  16.785
  237   1HB   TYR  37          1HB       TYR  37  12.473  -8.899  14.529
  238   2HB   TYR  37          2HB       TYR  37  11.600  -9.055  16.047
  239    HD1  TYR  37           HD2      TYR  37  13.319  -8.794  18.228
  240    HD2  TYR  37           HD1      TYR  37  14.063  -7.189  14.365
  241    HE1  TYR  37           HE2      TYR  37  14.354  -6.890  19.203
  242    HE2  TYR  37           HE1      TYR  37  14.899  -5.115  15.333
  243    HH   TYR  37           HH       TYR  37  16.105  -4.877  18.193
  244    H    SER  38           H        SER  38  12.214 -12.690  16.703
  245    HA   SER  38           HA       SER  38  10.273 -13.168  14.558
  246   1HB   SER  38          1HB       SER  38  12.651 -13.973  13.755
  247   2HB   SER  38          2HB       SER  38  12.405 -15.309  14.897
  248    HG   SER  38           HG       SER  38  11.451 -15.241  12.534
  249    H    GLY  39           H        GLY  39  10.350 -16.089  14.992
  250   1HA   GLY  39          1HA       GLY  39   9.666 -17.714  16.606
  251   2HA   GLY  39          2HA       GLY  39   9.747 -16.474  17.853
  252    H    ASP  40           H        ASP  40   7.741 -16.355  18.748
  253    HA   ASP  40           HA       ASP  40   5.323 -16.969  17.317
  254   1HB   ASP  40          1HB       ASP  40   5.617 -16.827  19.886
  255   2HB   ASP  40          2HB       ASP  40   5.617 -15.075  19.708
  256    NH1  ARG  41           NH1      ARG  41   0.887 -12.529  21.399
  257    NH2  ARG  41           NH2      ARG  41   2.556 -13.062  22.870
  258    H    ARG  41           H        ARG  41   4.658 -13.978  18.658
  259    HA   ARG  41           HA       ARG  41   4.111 -12.805  16.124
  260   1HB   ARG  41          1HB       ARG  41   4.944 -10.901  18.287
  261   2HB   ARG  41          2HB       ARG  41   3.442 -10.940  17.375
  262   1HG   ARG  41          1HG       ARG  41   2.684 -12.883  18.776
  263   2HG   ARG  41          2HG       ARG  41   4.154 -12.703  19.752
  264   1HD   ARG  41          1HD       ARG  41   3.261 -10.167  19.769
  265   2HD   ARG  41          2HD       ARG  41   1.733 -11.021  19.646
  266    HE   ARG  41           HE       ARG  41   3.441 -10.915  21.971
  267   1HH1  ARG  41          1HH1      ARG  41   0.564 -11.953  20.646
  268   2HH1  ARG  41          2HH1      ARG  41   0.294 -13.238  21.779
  269   1HH2  ARG  41          1HH2      ARG  41   3.482 -12.882  23.213
  270   2HH2  ARG  41          2HH2      ARG  41   1.999 -13.784  23.281
  271    H    CYS  42           H        CYS  42   6.647 -12.015  18.419
  272    HA   CYS  42           HA       CYS  42   8.856 -12.204  16.622
  273   1HB   CYS  42          1HB       CYS  42   8.120  -9.406  17.514
  274   2HB   CYS  42          2HB       CYS  42   9.470  -9.860  16.502
  275    H    GLN  43           H        GLN  43   7.922 -12.997  19.185
  276    HA   GLN  43           HA       GLN  43   9.174 -11.540  21.314
  277   1HB   GLN  43          1HB       GLN  43   8.591 -13.467  22.656
  278   2HB   GLN  43          2HB       GLN  43   7.317 -13.288  21.459
  279   1HG   GLN  43          1HG       GLN  43   8.642 -14.925  19.995
  280   2HG   GLN  43          2HG       GLN  43   9.602 -15.279  21.428
  281   1HE2  GLN  43          2HE2      GLN  43   5.705 -16.094  22.244
  282   2HE2  GLN  43          1HE2      GLN  43   6.205 -14.508  21.918
  283    H    THR  44           H        THR  44  10.847 -12.880  18.866
  284    HA   THR  44           HA       THR  44  12.910 -14.009  20.645
  285    HB   THR  44           HB       THR  44  12.722 -14.408  17.629
  286    HG1  THR  44           HG1      THR  44  11.524 -16.231  18.222
  287   1HG2  THR  44          2HG2      THR  44  13.897 -16.008  19.973
  288   2HG2  THR  44          3HG2      THR  44  13.843 -16.590  18.313
  289   3HG2  THR  44          1HG2      THR  44  14.844 -15.200  18.728
  290    NH1  ARG  45           NH2      ARG  45  14.422  -4.815  21.502
  291    NH2  ARG  45           NH1      ARG  45  16.579  -4.092  21.724
  292    H    ARG  45           H        ARG  45  13.900 -12.022  21.184
  293    HA   ARG  45           HA       ARG  45  15.116 -10.398  19.051
  294   1HB   ARG  45          1HB       ARG  45  14.075  -9.532  21.235
  295   2HB   ARG  45          2HB       ARG  45  15.421 -10.278  22.091
  296   1HG   ARG  45          1HG       ARG  45  16.983  -8.824  21.182
  297   2HG   ARG  45          2HG       ARG  45  16.001  -8.468  19.775
  298   1HD   ARG  45          1HD       ARG  45  14.355  -7.311  21.300
  299   2HD   ARG  45          2HD       ARG  45  15.516  -7.516  22.610
  300    HE   ARG  45           HE       ARG  45  16.941  -6.288  20.531
  301   1HH1  ARG  45          1HH2      ARG  45  13.787  -5.554  21.283
  302   2HH1  ARG  45          2HH2      ARG  45  14.073  -3.917  21.769
  303   1HH2  ARG  45          1HH1      ARG  45  17.558  -4.291  21.672
  304   2HH2  ARG  45          2HH1      ARG  45  16.266  -3.180  21.989
  305    H    ASP  46           H        ASP  46  16.623 -12.038  18.231
  306    HA   ASP  46           HA       ASP  46  18.570 -13.150  20.204
  307   1HB   ASP  46          1HB       ASP  46  17.318 -14.103  17.761
  308   2HB   ASP  46          2HB       ASP  46  19.070 -14.262  17.660
  309    H    LEU  47           H        LEU  47  20.769 -13.605  19.358
  310    HA   LEU  47           HA       LEU  47  22.207 -11.186  18.910
  311   1HB   LEU  47          1HB       LEU  47  23.050 -14.074  18.431
  312   2HB   LEU  47          2HB       LEU  47  24.150 -12.714  18.632
  313    HG   LEU  47           HG       LEU  47  22.227 -12.781  20.803
  314   1HD1  LEU  47          3HD1      LEU  47  22.167 -15.205  20.331
  315   2HD1  LEU  47          1HD1      LEU  47  23.923 -15.265  20.435
  316   3HD1  LEU  47          2HD1      LEU  47  22.968 -14.871  21.861
  317   1HD2  LEU  47          1HD2      LEU  47  24.408 -11.612  20.811
  318   2HD2  LEU  47          2HD2      LEU  47  24.286 -12.749  22.149
  319   3HD2  LEU  47          3HD2      LEU  47  25.236 -13.161  20.724
  320    NH1  ARG  48           NH2      ARG  48  18.027 -16.057  15.686
  321    NH2  ARG  48           NH1      ARG  48  20.257 -16.389  15.337
  322    H    ARG  48           H        ARG  48  20.801 -10.542  17.000
  323    HA   ARG  48           HA       ARG  48  22.258 -11.183  14.599
  324   1HB   ARG  48          1HB       ARG  48  19.450 -10.965  13.935
  325   2HB   ARG  48          2HB       ARG  48  20.551 -12.273  13.578
  326   1HG   ARG  48          1HG       ARG  48  20.201 -13.125  15.930
  327   2HG   ARG  48          2HG       ARG  48  18.967 -11.894  16.158
  328   1HD   ARG  48          1HD       ARG  48  17.658 -13.667  15.375
  329   2HD   ARG  48          2HD       ARG  48  18.107 -12.954  13.823
  330    HE   ARG  48           HE       ARG  48  19.670 -14.739  13.476
  331   1HH1  ARG  48          1HH2      ARG  48  17.200 -15.527  15.501
  332   2HH1  ARG  48          2HH2      ARG  48  17.990 -16.848  16.297
  333   1HH2  ARG  48          1HH1      ARG  48  21.106 -16.108  14.889
  334   2HH2  ARG  48          2HH1      ARG  48  20.250 -17.184  15.945
  335    CH2  TRP  49           CH2      TRP  49  17.729  -2.789  12.154
  336    H    TRP  49           H        TRP  49  19.289  -9.487  14.936
  337    HA   TRP  49           HA       TRP  49  19.770  -7.347  13.396
  338   1HB   TRP  49          1HB       TRP  49  17.591  -7.479  14.449
  339   2HB   TRP  49          2HB       TRP  49  18.329  -7.477  16.043
  340    HD1  TRP  49           HD1      TRP  49  17.075  -5.568  16.926
  341    HE1  TRP  49           HE1      TRP  49  16.180  -3.469  15.931
  342    HE3  TRP  49           HE3      TRP  49  19.789  -5.359  12.753
  343    HZ2  TRP  49           HZ2      TRP  49  16.171  -2.200  13.481
  344    HZ3  TRP  49           HZ3      TRP  49  19.235  -3.746  10.987
  345    HH2  TRP  49           HH2      TRP  49  17.531  -2.023  11.420
  346    CH2  TRP  50           CH2      TRP  50  20.775  -9.977  20.582
  347    H    TRP  50           H        TRP  50  19.903  -6.797  16.756
  348    HA   TRP  50           HA       TRP  50  21.758  -4.623  16.458
  349   1HB   TRP  50          1HB       TRP  50  21.966  -5.146  19.146
  350   2HB   TRP  50          2HB       TRP  50  20.604  -4.261  18.470
  351    HD1  TRP  50           HD1      TRP  50  18.232  -5.422  18.623
  352    HE1  TRP  50           HE1      TRP  50  17.528  -7.801  19.047
  353    HE3  TRP  50           HE3      TRP  50  22.609  -7.232  19.942
  354    HZ2  TRP  50           HZ2      TRP  50  18.724 -10.226  20.063
  355    HZ3  TRP  50           HZ3      TRP  50  22.843  -9.504  20.845
  356    HH2  TRP  50           HH2      TRP  50  20.866 -10.955  21.023
  357    H    GLU  51           H        GLU  51  23.735  -4.908  15.950
  358    HA   GLU  51           HA       GLU  51  25.287  -7.127  15.867
  359   1HB   GLU  51          1HB       GLU  51  25.958  -4.238  16.414
  360   2HB   GLU  51          2HB       GLU  51  27.255  -5.430  16.429
  361   1HG   GLU  51          1HG       GLU  51  26.725  -6.124  14.162
  362   2HG   GLU  51          2HG       GLU  51  25.275  -5.123  14.154
  363    H    LEU  52           H        LEU  52  26.561  -4.979  18.273
  364    HA   LEU  52           HA       LEU  52  27.426  -5.433  20.407
  365   1HB   LEU  52          1HB       LEU  52  24.649  -5.892  20.388
  366   2HB   LEU  52          2HB       LEU  52  25.309  -7.324  21.156
  367    HG   LEU  52           HG       LEU  52  26.710  -5.728  22.612
  368   1HD1  LEU  52          3HD1      LEU  52  25.230  -3.795  20.989
  369   2HD1  LEU  52          1HD1      LEU  52  24.948  -3.549  22.708
  370   3HD1  LEU  52          2HD1      LEU  52  26.589  -3.533  22.071
  371   1HD2  LEU  52          3HD2      LEU  52  24.749  -6.983  23.441
  372   2HD2  LEU  52          1HD2      LEU  52  24.817  -5.383  24.171
  373   3HD2  LEU  52          2HD2      LEU  52  23.683  -5.706  22.867
  374    NH1  ARG  53           NH1      ARG  53  31.852  -5.310  21.610
  375    NH2  ARG  53           NH2      ARG  53  33.861  -6.318  22.026
  376    H    ARG  53           H        ARG  53  27.893  -7.453  18.161
  377    HA   ARG  53           HA       ARG  53  29.080  -9.460  17.939
  378   1HB   ARG  53          1HB       ARG  53  29.445  -9.464  20.956
  379   2HB   ARG  53          2HB       ARG  53  30.552 -10.053  19.725
  380   1HG   ARG  53          1HG       ARG  53  30.352  -7.443  18.976
  381   2HG   ARG  53          2HG       ARG  53  30.140  -7.288  20.718
  382   1HD   ARG  53          1HD       ARG  53  32.213  -8.628  21.070
  383   2HD   ARG  53          2HD       ARG  53  32.436  -8.715  19.324
  384    HE   ARG  53           HE       ARG  53  33.086  -6.418  19.328
  385   1HH1  ARG  53          1HH1      ARG  53  31.063  -5.186  21.007
  386   2HH1  ARG  53          2HH1      ARG  53  31.906  -4.800  22.470
  387   1HH2  ARG  53          1HH2      ARG  53  34.578  -6.951  21.735
  388   2HH2  ARG  53                 ARG  53  33.952  -5.826  22.892
   
  Start of MODEL           8
 Raw file had 388 H/Q atoms
  Start of MODEL    8
    1   1H    ASN   1          2H        ASN   1  -2.691   4.719   2.121
    2   2H    ASN   1          3H        ASN   1  -3.566   4.836   0.670
    3   3H    ASN   1          1H        ASN   1  -4.140   5.604   2.070
    4    HA   ASN   1           HA       ASN   1  -5.228   3.820   2.714
    5   1HB   ASN   1          1HB       ASN   1  -5.311   1.882   1.030
    6   2HB   ASN   1          2HB       ASN   1  -5.699   3.458   0.343
    7   1HD2  ASN   1          2HD2      ASN   1  -2.566   1.410  -1.106
    8   2HD2  ASN   1          1HD2      ASN   1  -3.707   0.734  -0.045
    9    H    SER   2           H        SER   2  -5.015   1.317   3.087
   10    HA   SER   2           HA       SER   2  -3.798  -0.460   4.024
   11   1HB   SER   2          1HB       SER   2  -2.021   0.522   2.198
   12   2HB   SER   2          2HB       SER   2  -1.141   0.892   3.695
   13    HG   SER   2           HG       SER   2  -1.811  -1.335   4.314
   14    OH   TYR   3           OH       TYR   3  -4.883   8.188   9.239
   15    H    TYR   3           H        TYR   3  -2.717   2.803   4.761
   16    HA   TYR   3           HA       TYR   3  -2.064   3.790   6.768
   17   1HB   TYR   3          1HB       TYR   3  -4.557   2.452   7.068
   18   2HB   TYR   3          2HB       TYR   3  -3.662   2.213   8.568
   19    HD1  TYR   3           HD1      TYR   3  -2.914   4.161   9.894
   20    HD2  TYR   3           HD2      TYR   3  -5.238   4.696   6.373
   21    HE1  TYR   3           HE1      TYR   3  -3.416   6.466  10.576
   22    HE2  TYR   3           HE2      TYR   3  -5.725   7.006   7.045
   23    HH   TYR   3           HH       TYR   3  -5.422   8.592   8.555
   24    HA   PRO   4           HA       PRO   4   0.930   0.611   8.112
   25   1HB   PRO   4          1HB       PRO   4   2.393   2.631   9.580
   26   2HB   PRO   4          2HB       PRO   4   2.858   1.858   8.065
   27   1HG   PRO   4          1HG       PRO   4   1.961   4.564   8.449
   28   2HG   PRO   4          2HG       PRO   4   2.383   3.781   6.926
   29   1HD   PRO   4          2HD       PRO   4  -0.251   4.474   7.924
   30   2HD   PRO   4          1HD       PRO   4   0.180   3.778   6.346
   31    H    GLY   5           H        GLY   5   1.143  -0.509  10.016
   32   1HA   GLY   5          1HA       GLY   5   1.164  -0.636  12.460
   33   2HA   GLY   5          2HA       GLY   5   0.142   0.794  12.515
   34    H    CYS   6           H        CYS   6  -1.183  -0.565  13.962
   35    HA   CYS   6           HA       CYS   6  -3.257  -1.886  12.420
   36   1HB   CYS   6          1HB       CYS   6  -2.975  -3.769  14.341
   37   2HB   CYS   6          2HB       CYS   6  -2.159  -3.876  12.805
   38    HA   PRO   7           HA       PRO   7  -6.130  -0.214  15.307
   39   1HB   PRO   7          1HB       PRO   7  -6.830  -3.027  16.103
   40   2HB   PRO   7          2HB       PRO   7  -7.898  -1.748  15.505
   41   1HG   PRO   7          1HG       PRO   7  -6.943  -3.929  13.995
   42   2HG   PRO   7          2HG       PRO   7  -7.626  -2.443  13.316
   43   1HD   PRO   7          2HD       PRO   7  -4.875  -3.343  13.219
   44   2HD   PRO   7          1HD       PRO   7  -5.565  -1.874  12.490
   45    H    SER   8           H        SER   8  -5.228   0.659  17.118
   46    HA   SER   8           HA       SER   8  -3.253  -0.367  18.744
   47   1HB   SER   8          1HB       SER   8  -5.661   1.268  19.676
   48   2HB   SER   8          2HB       SER   8  -4.154   1.047  20.599
   49    HG   SER   8           HG       SER   8  -3.137   2.308  19.247
   50    H    SER   9           H        SER   9  -6.557  -1.405  18.660
   51    HA   SER   9           HA       SER   9  -6.909  -2.589  21.164
   52   1HB   SER   9          1HB       SER   9  -7.823  -3.168  18.381
   53   2HB   SER   9          2HB       SER   9  -7.860  -4.576  19.462
   54    HG   SER   9           HG       SER   9  -8.939  -1.996  19.976
   55    OH   TYR  10           OH       TYR  10  -5.307  -8.432  14.491
   56    H    TYR  10           H        TYR  10  -4.594  -3.211  18.808
   57    HA   TYR  10           HA       TYR  10  -3.880  -5.887  19.623
   58   1HB   TYR  10          1HB       TYR  10  -2.901  -3.801  17.688
   59   2HB   TYR  10          2HB       TYR  10  -1.779  -5.075  18.156
   60    HD1  TYR  10           HD2      TYR  10  -2.661  -7.470  18.029
   61    HD2  TYR  10           HD1      TYR  10  -4.533  -4.250  16.030
   62    HE1  TYR  10           HE2      TYR  10  -3.648  -9.055  16.455
   63    HE2  TYR  10           HE1      TYR  10  -5.628  -5.795  14.513
   64    HH   TYR  10           HH       TYR  10  -5.074  -9.322  14.768
   65    H    ASP  11           H        ASP  11  -1.657  -3.228  19.245
   66    HA   ASP  11           HA       ASP  11   0.351  -2.906  20.484
   67   1HB   ASP  11          1HB       ASP  11  -1.780  -1.461  21.069
   68   2HB   ASP  11          2HB       ASP  11  -1.683  -2.315  22.611
   69    H    GLY  12           H        GLY  12  -0.463  -5.701  20.766
   70   1HA   GLY  12          1HA       GLY  12   1.015  -6.236  23.226
   71   2HA   GLY  12          2HA       GLY  12  -0.674  -6.693  23.333
   72    OH   TYR  13           OH       TYR  13   0.066 -12.407  14.426
   73    H    TYR  13           H        TYR  13  -0.933  -7.719  20.586
   74    HA   TYR  13           HA       TYR  13   0.233 -10.320  21.149
   75   1HB   TYR  13          1HB       TYR  13  -1.702 -10.769  20.014
   76   2HB   TYR  13          2HB       TYR  13  -1.755  -9.185  19.277
   77    HD1  TYR  13           HD1      TYR  13   0.060 -12.484  18.949
   78    HD2  TYR  13           HD2      TYR  13  -1.360  -8.983  17.002
   79    HE1  TYR  13           HE1      TYR  13   0.552 -13.486  16.775
   80    HE2  TYR  13           HE2      TYR  13  -0.988 -10.034  14.826
   81    HH   TYR  13           HH       TYR  13   0.709 -13.108  14.555
   82    H    CYS  14           H        CYS  14   1.029  -7.703  18.828
   83    HA   CYS  14           HA       CYS  14   3.065  -9.390  17.596
   84   1HB   CYS  14          1HB       CYS  14   2.027  -6.706  17.219
   85   2HB   CYS  14          2HB       CYS  14   3.771  -6.628  17.309
   86    H    LEU  15           H        LEU  15   4.898  -9.986  18.529
   87    HA   LEU  15           HA       LEU  15   5.856  -8.630  20.933
   88   1HB   LEU  15          1HB       LEU  15   6.094 -11.219  19.585
   89   2HB   LEU  15          2HB       LEU  15   7.658 -10.637  20.107
   90    HG   LEU  15           HG       LEU  15   6.794 -11.985  21.837
   91   1HD1  LEU  15          3HD1      LEU  15   7.647  -9.475  22.300
   92   2HD1  LEU  15          1HD1      LEU  15   6.073  -9.388  23.082
   93   3HD1  LEU  15          2HD1      LEU  15   7.244 -10.597  23.593
   94   1HD2  LEU  15          3HD2      LEU  15   4.240 -10.644  21.191
   95   2HD2  LEU  15          1HD2      LEU  15   4.553 -12.305  21.701
   96   3HD2  LEU  15          2HD2      LEU  15   4.494 -11.015  22.894
   97    H    ASN  16           H        ASN  16   8.009  -8.033  21.264
   98    HA   ASN  16           HA       ASN  16   9.710  -6.476  20.629
   99   1HB   ASN  16          1HB       ASN  16  10.391  -8.880  18.968
  100   2HB   ASN  16          2HB       ASN  16  11.476  -7.808  19.859
  101   1HD2  ASN  16          2HD2      ASN  16  10.582 -10.981  21.795
  102   2HD2  ASN  16          1HD2      ASN  16  11.085 -10.751  20.187
  103    H    GLY  17           H        GLY  17   8.859  -4.834  19.444
  104   1HA   GLY  17          1HA       GLY  17   8.270  -3.618  17.512
  105   2HA   GLY  17          2HA       GLY  17   9.886  -4.114  17.035
  106    H    GLY  18           H        GLY  18   7.425  -6.551  17.440
  107   1HA   GLY  18          1HA       GLY  18   7.772  -7.627  14.857
  108   2HA   GLY  18          2HA       GLY  18   6.310  -7.857  15.822
  109    H    VAL  19           H        VAL  19   7.363  -6.689  12.913
  110    HA   VAL  19           HA       VAL  19   5.745  -4.302  12.797
  111    HB   VAL  19           HB       VAL  19   6.736  -5.972  10.460
  112   1HG1  VAL  19          1HG1      VAL  19   5.093  -3.806  10.419
  113   2HG1  VAL  19          2HG1      VAL  19   6.657  -3.000  10.409
  114   3HG1  VAL  19          3HG1      VAL  19   6.253  -4.149   9.140
  115   1HG2  VAL  19          2HG2      VAL  19   8.158  -3.795  12.030
  116   2HG2  VAL  19          3HG2      VAL  19   8.616  -5.492  11.974
  117   3HG2  VAL  19          1HG2      VAL  19   8.749  -4.497  10.529
  118    H    CYS  20           H        CYS  20   3.670  -4.177  12.519
  119    HA   CYS  20           HA       CYS  20   2.202  -6.626  11.697
  120   1HB   CYS  20          1HB       CYS  20   0.340  -5.774  12.891
  121   2HB   CYS  20          2HB       CYS  20   1.716  -5.462  13.920
  122    H    MET  21           H        MET  21   1.803  -6.664   9.601
  123    HA   MET  21           HA       MET  21   1.504  -4.178   8.102
  124   1HB   MET  21          1HB       MET  21   1.164  -7.133   7.388
  125   2HB   MET  21          2HB       MET  21   0.873  -5.852   6.220
  126   1HG   MET  21          1HG       MET  21   3.196  -5.001   6.798
  127   2HG   MET  21          2HG       MET  21   3.433  -6.490   7.676
  128   1HE   MET  21          1HE       MET  21   2.316  -4.901   4.625
  129   2HE   MET  21          2HE       MET  21   3.976  -4.875   4.032
  130   3HE   MET  21          3HE       MET  21   2.778  -5.912   3.258
  131    H    HIS  22           H        HIS  22  -0.349  -3.603   6.932
  132    HA   HIS  22           HA       HIS  22  -2.914  -4.723   7.974
  133   1HB   HIS  22          1HB       HIS  22  -2.379  -2.798   9.378
  134   2HB   HIS  22          2HB       HIS  22  -2.068  -1.797   7.959
  135    HD1  HIS  22           HD1      HIS  22  -4.125  -0.451   9.096
  136    HD2  HIS  22           HD2      HIS  22  -5.138  -4.041   7.473
  137    HE1  HIS  22           HE1      HIS  22  -6.561  -0.489   9.065
  138    H    ILE  23           H        ILE  23  -3.730  -5.419   6.000
  139    HA   ILE  23           HA       ILE  23  -3.534  -3.658   3.681
  140    HB   ILE  23           HB       ILE  23  -5.335  -6.030   3.565
  141   1HG1  ILE  23          1HG1      ILE  23  -3.118  -7.438   3.258
  142   2HG1  ILE  23          2HG1      ILE  23  -2.421  -6.216   4.311
  143   1HG2  ILE  23          1HG2      ILE  23  -4.534  -4.583   1.614
  144   2HG2  ILE  23          2HG2      ILE  23  -2.918  -5.226   1.889
  145   3HG2  ILE  23          3HG2      ILE  23  -4.226  -6.304   1.408
  146   1HD1  ILE  23          2HD1      ILE  23  -4.761  -6.816   5.643
  147   2HD1  ILE  23          3HD1      ILE  23  -4.341  -8.375   4.939
  148   3HD1  ILE  23          1HD1      ILE  23  -3.200  -7.548   5.995
  149    H    GLU  24           H        GLU  24  -4.809  -1.934   3.912
  150    HA   GLU  24           HA       GLU  24  -7.165  -1.629   5.345
  151   1HB   GLU  24          1HB       GLU  24  -5.891  -0.291   3.036
  152   2HB   GLU  24          2HB       GLU  24  -7.635  -0.076   3.088
  153   1HG   GLU  24          1HG       GLU  24  -5.919   0.336   5.552
  154   2HG   GLU  24          2HG       GLU  24  -6.222   1.641   4.405
  155    H    SER  25           H        SER  25  -6.773  -3.152   2.220
  156    HA   SER  25           HA       SER  25  -9.321  -3.182   1.181
  157   1HB   SER  25          1HB       SER  25  -7.530  -4.465   0.090
  158   2HB   SER  25          2HB       SER  25  -7.392  -5.543   1.494
  159    HG   SER  25           HG       SER  25  -8.785  -6.310  -0.259
  160    H    LEU  26           H        LEU  26  -8.418  -6.103   2.910
  161    HA   LEU  26           HA       LEU  26 -11.111  -6.379   3.845
  162   1HB   LEU  26          1HB       LEU  26  -8.741  -8.074   4.696
  163   2HB   LEU  26          2HB       LEU  26 -10.425  -8.561   4.613
  164    HG   LEU  26           HG       LEU  26  -8.898  -7.732   2.122
  165   1HD1  LEU  26          1HD1      LEU  26  -9.104 -10.446   3.452
  166   2HD1  LEU  26          2HD1      LEU  26  -8.652 -10.229   1.762
  167   3HD1  LEU  26          3HD1      LEU  26  -7.633  -9.566   3.039
  168   1HD2  LEU  26          2HD2      LEU  26 -11.590  -8.264   2.607
  169   2HD2  LEU  26          3HD2      LEU  26 -10.805  -8.317   1.033
  170   3HD2  LEU  26          1HD2      LEU  26 -10.981  -9.788   1.981
  171    H    ASP  27           H        ASP  27  -8.509  -4.690   4.982
  172    HA   ASP  27           HA       ASP  27  -8.119  -3.604   7.029
  173   1HB   ASP  27          1HB       ASP  27 -10.868  -3.779   6.813
  174   2HB   ASP  27          2HB       ASP  27 -10.591  -4.655   8.317
  175    H    SER  28           H        SER  28  -7.721  -6.649   6.575
  176    HA   SER  28           HA       SER  28  -7.901  -7.722   9.249
  177   1HB   SER  28          1HB       SER  28  -7.518  -8.784   6.653
  178   2HB   SER  28          2HB       SER  28  -6.005  -9.131   7.507
  179    HG   SER  28           HG       SER  28  -8.468  -9.449   8.821
  180    OH   TYR  29           OH       TYR  29  -7.619  -2.840  10.926
  181    H    TYR  29           H        TYR  29  -5.628  -8.964   9.849
  182    HA   TYR  29           HA       TYR  29  -3.424  -6.994   9.672
  183   1HB   TYR  29          1HB       TYR  29  -4.601  -7.996  12.304
  184   2HB   TYR  29          2HB       TYR  29  -3.210  -6.918  12.148
  185    HD1  TYR  29           HD2      TYR  29  -3.553  -4.816  10.772
  186    HD2  TYR  29           HD1      TYR  29  -6.776  -7.034  12.387
  187    HE1  TYR  29           HE2      TYR  29  -5.033  -2.915  10.453
  188    HE2  TYR  29           HE1      TYR  29  -8.302  -5.184  11.933
  189    HH   TYR  29           HH       TYR  29  -8.213  -3.068  10.208
  190    H    THR  30           H        THR  30  -1.397  -7.777  10.352
  191    HA   THR  30           HA       THR  30  -1.167 -10.564  11.221
  192    HB   THR  30           HB       THR  30  -1.558 -10.892   8.773
  193    HG1  THR  30           HG1      THR  30  -0.049 -12.208   9.810
  194   1HG2  THR  30          2HG2      THR  30  -0.421  -8.516   8.300
  195   2HG2  THR  30          3HG2      THR  30   1.082  -9.442   8.328
  196   3HG2  THR  30          1HG2      THR  30  -0.168  -9.817   7.138
  197    H    CYS  31           H        CYS  31   0.658 -10.939  12.178
  198    HA   CYS  31           HA       CYS  31   2.561  -8.720  12.449
  199   1HB   CYS  31          1HB       CYS  31   2.079 -11.320  13.874
  200   2HB   CYS  31          2HB       CYS  31   3.611 -10.517  14.076
  201    H    ASN  32           H        ASN  32   4.704  -8.806  12.019
  202    HA   ASN  32           HA       ASN  32   5.780 -11.212  10.670
  203   1HB   ASN  32          1HB       ASN  32   4.756  -9.074   9.192
  204   2HB   ASN  32          2HB       ASN  32   6.464  -8.666   9.303
  205   1HD2  ASN  32          2HD2      ASN  32   7.372 -11.038   6.888
  206   2HD2  ASN  32          1HD2      ASN  32   7.750  -9.616   7.733
  207    H    CYS  33           H        CYS  33   7.423 -11.582  12.050
  208    HA   CYS  33           HA       CYS  33   8.807  -9.583  13.511
  209   1HB   CYS  33          1HB       CYS  33  10.269 -12.056  12.658
  210   2HB   CYS  33          2HB       CYS  33  10.180 -11.306  14.239
  211    H    VAL  34           H        VAL  34  11.550 -10.147  12.960
  212    HA   VAL  34           HA       VAL  34  12.060  -9.466  10.193
  213    HB   VAL  34           HB       VAL  34  13.112  -7.213  11.798
  214   1HG1  VAL  34          2HG1      VAL  34  11.459  -7.377   9.267
  215   2HG1  VAL  34          3HG1      VAL  34  12.292  -5.939   9.854
  216   3HG1  VAL  34          1HG1      VAL  34  13.218  -7.349   9.348
  217   1HG2  VAL  34          2HG2      VAL  34  10.729  -7.548  12.815
  218   2HG2  VAL  34          3HG2      VAL  34  11.139  -5.970  12.179
  219   3HG2  VAL  34          1HG2      VAL  34  10.152  -7.073  11.224
  220    H    ILE  35           H        ILE  35  14.362  -8.114  10.450
  221    HA   ILE  35           HA       ILE  35  16.217 -10.189  11.043
  222    HB   ILE  35           HB       ILE  35  16.348  -8.557   9.201
  223   1HG1  ILE  35          1HG1      ILE  35  18.617  -7.736   9.413
  224   2HG1  ILE  35          2HG1      ILE  35  18.614  -8.059  11.128
  225   1HG2  ILE  35          1HG2      ILE  35  15.778  -6.694  11.381
  226   2HG2  ILE  35          2HG2      ILE  35  17.208  -6.186  10.484
  227   3HG2  ILE  35          3HG2      ILE  35  15.684  -6.421   9.645
  228   1HD1  ILE  35          3HD1      ILE  35  17.835 -10.351   9.411
  229   2HD1  ILE  35          1HD1      ILE  35  19.511  -9.839   9.267
  230   3HD1  ILE  35          2HD1      ILE  35  18.871 -10.322  10.832
  231    H    GLY  36           H        GLY  36  15.173 -10.102  13.376
  232   1HA   GLY  36          1HA       GLY  36  16.961  -9.918  15.382
  233   2HA   GLY  36          2HA       GLY  36  16.504  -8.208  15.251
  234    OH   TYR  37           OH       TYR  37  12.961  -4.317  17.009
  235    H    TYR  37           H        TYR  37  14.311 -10.662  14.384
  236    HA   TYR  37           HA       TYR  37  12.968 -10.803  16.959
  237   1HB   TYR  37          1HB       TYR  37  11.663  -9.656  14.498
  238   2HB   TYR  37          2HB       TYR  37  10.903  -9.842  16.064
  239    HD1  TYR  37           HD2      TYR  37  12.384  -8.645  18.063
  240    HD2  TYR  37           HD1      TYR  37  12.619  -7.606  13.965
  241    HE1  TYR  37           HE2      TYR  37  12.856  -6.403  18.660
  242    HE2  TYR  37           HE1      TYR  37  12.730  -5.261  14.511
  243    HH   TYR  37           HH       TYR  37  12.700  -4.228  17.929
  244    H    SER  38           H        SER  38  12.406 -12.875  17.198
  245    HA   SER  38           HA       SER  38  11.048 -14.306  15.041
  246   1HB   SER  38          1HB       SER  38  13.864 -15.108  15.936
  247   2HB   SER  38          2HB       SER  38  12.814 -16.138  14.945
  248    HG   SER  38           HG       SER  38  14.319 -14.132  14.134
  249    H    GLY  39           H        GLY  39  11.437 -16.929  15.908
  250   1HA   GLY  39          1HA       GLY  39  11.135 -18.386  17.821
  251   2HA   GLY  39          2HA       GLY  39  10.775 -16.972  18.809
  252    H    ASP  40           H        ASP  40   8.730 -17.540  19.589
  253    HA   ASP  40           HA       ASP  40   6.701 -18.838  18.043
  254   1HB   ASP  40          1HB       ASP  40   6.592 -18.448  20.570
  255   2HB   ASP  40          2HB       ASP  40   6.293 -16.743  20.242
  256    NH1  ARG  41           NH2      ARG  41   2.242 -15.404  21.132
  257    NH2  ARG  41           NH1      ARG  41   2.091 -13.671  22.618
  258    H    ARG  41           H        ARG  41   5.323 -15.854  19.029
  259    HA   ARG  41           HA       ARG  41   4.740 -15.232  16.288
  260   1HB   ARG  41          1HB       ARG  41   5.047 -12.973  18.306
  261   2HB   ARG  41          2HB       ARG  41   3.843 -13.153  17.043
  262   1HG   ARG  41          1HG       ARG  41   2.658 -14.832  18.374
  263   2HG   ARG  41          2HG       ARG  41   3.918 -14.737  19.623
  264   1HD   ARG  41          1HD       ARG  41   3.472 -12.331  19.823
  265   2HD   ARG  41          2HD       ARG  41   2.258 -12.455  18.594
  266    HE   ARG  41           HE       ARG  41   0.857 -12.895  20.434
  267   1HH1  ARG  41          1HH2      ARG  41   2.167 -15.731  20.188
  268   2HH1  ARG  41          2HH2      ARG  41   2.476 -16.042  21.864
  269   1HH2  ARG  41          1HH1      ARG  41   1.899 -12.699  22.782
  270   2HH2  ARG  41          2HH1      ARG  41   2.324 -14.270  23.382
  271    H    CYS  42           H        CYS  42   6.768 -13.531  18.593
  272    HA   CYS  42           HA       CYS  42   9.164 -13.579  17.043
  273   1HB   CYS  42          1HB       CYS  42   7.849 -10.885  17.316
  274   2HB   CYS  42          2HB       CYS  42   9.252 -11.298  16.377
  275    H    GLN  43           H        GLN  43   8.377 -14.113  19.688
  276    HA   GLN  43           HA       GLN  43   9.041 -11.925  21.454
  277   1HB   GLN  43          1HB       GLN  43   9.533 -14.562  22.609
  278   2HB   GLN  43          2HB       GLN  43   8.310 -13.378  23.043
  279   1HG   GLN  43          1HG       GLN  43   6.981 -14.163  21.012
  280   2HG   GLN  43          2HG       GLN  43   8.144 -15.480  20.864
  281   1HE2  GLN  43          2HE2      GLN  43   6.398 -17.374  23.247
  282   2HE2  GLN  43          1HE2      GLN  43   7.305 -17.333  21.814
  283    H    THR  44           H        THR  44  11.093 -13.426  19.396
  284    HA   THR  44           HA       THR  44  13.317 -13.461  21.330
  285    HB   THR  44           HB       THR  44  13.689 -14.428  18.494
  286    HG1  THR  44           HG1      THR  44  12.677 -16.268  20.206
  287   1HG2  THR  44          2HG2      THR  44  15.432 -14.644  20.412
  288   2HG2  THR  44          3HG2      THR  44  14.278 -15.684  21.225
  289   3HG2  THR  44          1HG2      THR  44  14.966 -16.174  19.681
  290    NH1  ARG  45           NH2      ARG  45  16.303  -4.684  22.611
  291    NH2  ARG  45           NH1      ARG  45  14.288  -3.603  22.665
  292    H    ARG  45           H        ARG  45  13.561 -11.193  21.443
  293    HA   ARG  45           HA       ARG  45  14.200  -9.613  19.093
  294   1HB   ARG  45          1HB       ARG  45  13.132  -8.713  21.145
  295   2HB   ARG  45          2HB       ARG  45  14.552  -9.159  22.086
  296   1HG   ARG  45          1HG       ARG  45  15.851  -7.525  21.118
  297   2HG   ARG  45          2HG       ARG  45  14.888  -7.493  19.638
  298   1HD   ARG  45          1HD       ARG  45  13.058  -6.411  20.778
  299   2HD   ARG  45          2HD       ARG  45  13.849  -6.589  22.336
  300    HE   ARG  45           HE       ARG  45  14.892  -4.803  20.179
  301   1HH1  ARG  45          1HH2      ARG  45  16.899  -5.361  22.180
  302   2HH1  ARG  45          2HH2      ARG  45  16.621  -4.176  23.413
  303   1HH2  ARG  45          1HH1      ARG  45  13.377  -3.470  22.272
  304   2HH2  ARG  45          2HH1      ARG  45  14.568  -3.077  23.467
  305    H    ASP  46           H        ASP  46  15.920 -11.061  18.346
  306    HA   ASP  46           HA       ASP  46  18.317 -11.549  19.888
  307   1HB   ASP  46          1HB       ASP  46  17.446 -11.895  17.027
  308   2HB   ASP  46          2HB       ASP  46  19.150 -12.084  17.427
  309    H    LEU  47           H        LEU  47  20.482 -10.856  19.307
  310    HA   LEU  47           HA       LEU  47  20.672  -7.987  19.046
  311   1HB   LEU  47          1HB       LEU  47  23.237  -8.663  18.896
  312   2HB   LEU  47          2HB       LEU  47  22.373  -8.762  20.423
  313    HG   LEU  47           HG       LEU  47  22.197 -11.162  18.666
  314   1HD1  LEU  47          2HD1      LEU  47  24.731 -10.228  20.031
  315   2HD1  LEU  47          3HD1      LEU  47  24.438 -11.919  19.643
  316   3HD1  LEU  47          1HD1      LEU  47  24.534 -10.723  18.352
  317   1HD2  LEU  47          2HD2      LEU  47  21.181 -10.890  20.980
  318   2HD2  LEU  47          3HD2      LEU  47  22.255 -12.277  20.817
  319   3HD2  LEU  47          1HD2      LEU  47  22.820 -10.815  21.618
  320    NH1  ARG  48           NH2      ARG  48  19.477 -13.033  12.778
  321    NH2  ARG  48           NH1      ARG  48  21.393 -13.194  14.015
  322    H    ARG  48           H        ARG  48  20.288  -7.042  17.161
  323    HA   ARG  48           HA       ARG  48  22.091  -7.096  15.099
  324   1HB   ARG  48          1HB       ARG  48  20.547  -8.305  13.411
  325   2HB   ARG  48          2HB       ARG  48  21.551  -9.274  14.459
  326   1HG   ARG  48          1HG       ARG  48  19.184  -8.876  15.980
  327   2HG   ARG  48          2HG       ARG  48  18.668  -9.105  14.308
  328   1HD   ARG  48          1HD       ARG  48  20.432 -10.972  15.883
  329   2HD   ARG  48          2HD       ARG  48  18.820 -11.306  15.251
  330    HE   ARG  48           HE       ARG  48  20.678 -10.564  13.154
  331   1HH1  ARG  48          1HH2      ARG  48  18.731 -12.468  12.424
  332   2HH1  ARG  48          2HH2      ARG  48  19.515 -14.006  12.556
  333   1HH2  ARG  48          1HH1      ARG  48  22.082 -12.751  14.586
  334   2HH2  ARG  48          2HH1      ARG  48  21.463 -14.172  13.814
  335    CH2  TRP  49           CH2      TRP  49  14.109  -3.153  10.659
  336    H    TRP  49           H        TRP  49  18.661  -7.377  14.731
  337    HA   TRP  49           HA       TRP  49  18.121  -5.505  12.942
  338   1HB   TRP  49          1HB       TRP  49  16.115  -6.470  13.893
  339   2HB   TRP  49          2HB       TRP  49  16.545  -5.896  15.492
  340    HD1  TRP  49           HD1      TRP  49  14.951  -3.881  16.083
  341    HE1  TRP  49           HE1      TRP  49  13.097  -3.014  14.717
  342    HE3  TRP  49           HE3      TRP  49  17.025  -4.340  11.734
  343    HZ2  TRP  49           HZ2      TRP  49  12.469  -2.776  11.944
  344    HZ3  TRP  49           HZ3      TRP  49  15.856  -3.815   9.635
  345    HH2  TRP  49           HH2      TRP  49  13.611  -2.824   9.761
  346    CH2  TRP  50           CH2      TRP  50  20.123  -5.888  20.250
  347    H    TRP  50           H        TRP  50  17.218  -4.364  15.955
  348    HA   TRP  50           HA       TRP  50  17.501  -1.703  15.394
  349   1HB   TRP  50          1HB       TRP  50  18.162  -1.615  18.083
  350   2HB   TRP  50          2HB       TRP  50  16.520  -1.806  17.500
  351    HD1  TRP  50           HD1      TRP  50  15.336  -4.188  17.990
  352    HE1  TRP  50           HE1      TRP  50  16.273  -6.403  18.687
  353    HE3  TRP  50           HE3      TRP  50  19.926  -2.736  19.106
  354    HZ2  TRP  50           HZ2      TRP  50  18.659  -7.414  19.883
  355    HZ3  TRP  50           HZ3      TRP  50  21.454  -4.227  20.321
  356    HH2  TRP  50           HH2      TRP  50  20.774  -6.527  20.831
  357    H    GLU  51           H        GLU  51  19.169  -1.094  14.317
  358    HA   GLU  51           HA       GLU  51  21.569  -0.358  15.617
  359   1HB   GLU  51          1HB       GLU  51  21.553  -2.760  13.759
  360   2HB   GLU  51          2HB       GLU  51  22.991  -1.757  13.860
  361   1HG   GLU  51          1HG       GLU  51  22.605  -2.162  16.503
  362   2HG   GLU  51          2HG       GLU  51  21.823  -3.619  15.882
  363    H    LEU  52           H        LEU  52  21.354  -1.418  12.283
  364    HA   LEU  52           HA       LEU  52  21.529  -0.237  10.280
  365   1HB   LEU  52          1HB       LEU  52  19.715   1.539  11.946
  366   2HB   LEU  52          2HB       LEU  52  20.088   1.913  10.270
  367    HG   LEU  52           HG       LEU  52  19.327  -0.893  10.671
  368   1HD1  LEU  52          3HD1      LEU  52  17.369   1.335  11.310
  369   2HD1  LEU  52          1HD1      LEU  52  16.895  -0.326  10.962
  370   3HD1  LEU  52          2HD1      LEU  52  17.868   0.034  12.385
  371   1HD2  LEU  52          2HD2      LEU  52  19.550   0.319   8.476
  372   2HD2  LEU  52          3HD2      LEU  52  17.970  -0.423   8.700
  373   3HD2  LEU  52          1HD2      LEU  52  18.168   1.311   8.934
  374    NH1  ARG  53           NH2      ARG  53  27.392  -0.302  15.291
  375    NH2  ARG  53           NH1      ARG  53  26.968   1.070  17.070
  376    H    ARG  53           H        ARG  53  21.457   2.536  12.502
  377    HA   ARG  53           HA       ARG  53  22.934   4.318  12.749
  378   1HB   ARG  53          1HB       ARG  53  24.981   2.208  11.905
  379   2HB   ARG  53          2HB       ARG  53  25.363   3.740  12.669
  380   1HG   ARG  53          1HG       ARG  53  24.714   3.017  14.738
  381   2HG   ARG  53          2HG       ARG  53  23.344   2.122  14.102
  382   1HD   ARG  53          1HD       ARG  53  24.657   0.228  13.585
  383   2HD   ARG  53          2HD       ARG  53  26.158   1.152  13.604
  384    HE   ARG  53           HE       ARG  53  24.622   0.619  16.115
  385   1HH1  ARG  53          1HH2      ARG  53  27.069  -0.740  14.451
  386   2HH1  ARG  53                 ARG  53  28.323  -0.467  15.615
  387   1HH2  ARG  53          1HH1      ARG  53  26.329   1.660  17.564
  388   2HH2  ARG  53          2HH1      ARG  53  27.895   0.932  17.422
   
  Start of MODEL           9
 Raw file had 388 H/Q atoms
  Start of MODEL    9
    1   1H    ASN   1          3H        ASN   1  -6.314   0.307   1.665
    2   2H    ASN   1          1H        ASN   1  -6.616   1.568   0.567
    3   3H    ASN   1          2H        ASN   1  -5.872   0.138   0.033
    4    HA   ASN   1           HA       ASN   1  -4.055   1.451   0.201
    5   1HB   ASN   1          1HB       ASN   1  -5.606   2.768   2.458
    6   2HB   ASN   1          2HB       ASN   1  -3.880   3.059   2.266
    7   1HD2  ASN   1          2HD2      ASN   1  -4.259   5.101  -0.600
    8   2HD2  ASN   1          1HD2      ASN   1  -3.173   4.287   0.420
    9    H    SER   2           H        SER   2  -4.606   1.470   3.662
   10    HA   SER   2           HA       SER   2  -3.710  -1.056   4.324
   11   1HB   SER   2          1HB       SER   2  -1.567   0.608   3.260
   12   2HB   SER   2          2HB       SER   2  -1.231   0.187   4.951
   13    HG   SER   2           HG       SER   2  -1.733  -1.976   4.435
   14    OH   TYR   3           OH       TYR   3 -10.258   4.820   7.503
   15    H    TYR   3           H        TYR   3  -4.609   1.981   5.094
   16    HA   TYR   3           HA       TYR   3  -4.752   3.199   7.109
   17   1HB   TYR   3          1HB       TYR   3  -5.896   0.511   7.308
   18   2HB   TYR   3          2HB       TYR   3  -5.506   1.198   8.884
   19    HD1  TYR   3           HD1      TYR   3  -6.131   3.816   9.072
   20    HD2  TYR   3           HD2      TYR   3  -7.991   1.053   6.427
   21    HE1  TYR   3           HE1      TYR   3  -8.094   5.279   8.920
   22    HE2  TYR   3           HE2      TYR   3  -9.952   2.516   6.276
   23    HH   TYR   3           HH       TYR   3 -10.919   4.376   6.969
   24    HA   PRO   4           HA       PRO   4  -0.663   2.200   8.934
   25   1HB   PRO   4          1HB       PRO   4  -0.946   4.741  10.382
   26   2HB   PRO   4          2HB       PRO   4   0.271   4.288   9.187
   27   1HG   PRO   4          1HG       PRO   4  -1.858   6.103   8.777
   28   2HG   PRO   4          2HG       PRO   4  -0.849   5.396   7.515
   29   1HD   PRO   4          2HD       PRO   4  -3.633   4.802   8.198
   30   2HD   PRO   4          1HD       PRO   4  -2.720   4.305   6.758
   31    H    GLY   5           H        GLY   5  -1.022   0.663  10.420
   32   1HA   GLY   5          1HA       GLY   5  -0.999   0.447  12.950
   33   2HA   GLY   5          2HA       GLY   5  -2.460   1.430  12.937
   34    H    CYS   6           H        CYS   6  -3.194  -0.554  14.157
   35    HA   CYS   6           HA       CYS   6  -4.539  -2.344  12.270
   36   1HB   CYS   6          1HB       CYS   6  -3.883  -4.249  13.946
   37   2HB   CYS   6          2HB       CYS   6  -2.667  -3.699  12.835
   38    HA   PRO   7           HA       PRO   7  -8.212  -1.827  14.655
   39   1HB   PRO   7          1HB       PRO   7  -7.955  -4.711  15.497
   40   2HB   PRO   7          2HB       PRO   7  -9.332  -3.892  14.742
   41   1HG   PRO   7          1HG       PRO   7  -7.478  -5.556  13.412
   42   2HG   PRO   7          2HG       PRO   7  -8.583  -4.430  12.618
   43   1HD   PRO   7          2HD       PRO   7  -5.718  -4.250  12.794
   44   2HD   PRO   7          1HD       PRO   7  -6.812  -3.093  12.011
   45    H    SER   8           H        SER   8  -8.658  -1.232  16.803
   46    HA   SER   8           HA       SER   8  -6.542  -0.905  18.603
   47   1HB   SER   8          1HB       SER   8  -8.222  -0.548  20.363
   48   2HB   SER   8          2HB       SER   8  -8.862   0.132  18.849
   49    HG   SER   8           HG       SER   8  -9.283  -2.552  19.672
   50    H    SER   9           H        SER   9  -8.484  -3.752  18.068
   51    HA   SER   9           HA       SER   9  -8.088  -5.204  20.410
   52   1HB   SER   9          1HB       SER   9  -7.688  -6.258  17.556
   53   2HB   SER   9          2HB       SER   9  -8.134  -7.233  18.970
   54    HG   SER   9           HG       SER   9  -9.967  -6.508  17.748
   55    OH   TYR  10           OH       TYR  10  -4.050  -9.082  14.489
   56    H    TYR  10           H        TYR  10  -5.784  -3.988  18.261
   57    HA   TYR  10           HA       TYR  10  -3.651  -5.767  19.131
   58   1HB   TYR  10          1HB       TYR  10  -3.922  -3.526  17.114
   59   2HB   TYR  10          2HB       TYR  10  -2.323  -4.089  17.594
   60    HD1  TYR  10           HD2      TYR  10  -1.624  -6.340  17.104
   61    HD2  TYR  10           HD1      TYR  10  -5.431  -4.999  15.867
   62    HE1  TYR  10           HE2      TYR  10  -1.946  -8.441  15.940
   63    HE2  TYR  10           HE1      TYR  10  -5.735  -7.026  14.552
   64    HH   TYR  10           HH       TYR  10  -4.824  -9.512  14.858
   65    H    ASP  11           H        ASP  11  -3.721  -2.257  18.765
   66    HA   ASP  11           HA       ASP  11  -2.439  -0.684  19.950
   67   1HB   ASP  11          1HB       ASP  11  -4.830  -1.193  20.889
   68   2HB   ASP  11          2HB       ASP  11  -3.958  -1.894  22.259
   69    H    GLY  12           H        GLY  12  -1.237  -3.455  19.898
   70   1HA   GLY  12          1HA       GLY  12   1.153  -3.362  20.963
   71   2HA   GLY  12          2HA       GLY  12   0.260  -3.382  22.475
   72    OH   TYR  13           OH       TYR  13   1.110 -10.263  14.349
   73    H    TYR  13           H        TYR  13   1.276  -5.273  19.718
   74    HA   TYR  13           HA       TYR  13   0.695  -7.721  21.288
   75   1HB   TYR  13          1HB       TYR  13  -0.894  -8.484  19.830
   76   2HB   TYR  13          2HB       TYR  13  -0.848  -6.930  19.050
   77    HD1  TYR  13           HD2      TYR  13   0.681  -6.623  17.007
   78    HD2  TYR  13           HD1      TYR  13  -0.070 -10.469  18.699
   79    HE1  TYR  13           HE2      TYR  13   1.101  -7.698  14.830
   80    HE2  TYR  13           HE1      TYR  13   0.414 -11.505  16.542
   81    HH   TYR  13           HH       TYR  13   0.350 -10.788  14.088
   82    H    CYS  14           H        CYS  14   2.339  -6.296  18.518
   83    HA   CYS  14           HA       CYS  14   4.163  -8.487  18.145
   84   1HB   CYS  14          1HB       CYS  14   3.579  -5.986  16.956
   85   2HB   CYS  14          2HB       CYS  14   5.243  -5.846  17.483
   86    H    LEU  15           H        LEU  15   6.022  -9.015  19.172
   87    HA   LEU  15           HA       LEU  15   6.856  -7.453  21.500
   88   1HB   LEU  15          1HB       LEU  15   7.215 -10.201  20.478
   89   2HB   LEU  15          2HB       LEU  15   8.666  -9.517  21.200
   90    HG   LEU  15           HG       LEU  15   7.350  -8.884  23.176
   91   1HD1  LEU  15          1HD1      LEU  15   5.211 -10.474  21.725
   92   2HD1  LEU  15          2HD1      LEU  15   5.096 -10.031  23.427
   93   3HD1  LEU  15          3HD1      LEU  15   5.107  -8.778  22.191
   94   1HD2  LEU  15          1HD2      LEU  15   8.557 -11.172  22.826
   95   2HD2  LEU  15          2HD2      LEU  15   7.495 -10.964  24.209
   96   3HD2  LEU  15          3HD2      LEU  15   6.919 -11.816  22.786
   97    H    ASN  16           H        ASN  16   9.533  -7.786  21.651
   98    HA   ASN  16           HA       ASN  16  11.544  -6.775  20.926
   99   1HB   ASN  16          1HB       ASN  16  10.392  -7.243  18.153
  100   2HB   ASN  16          2HB       ASN  16  12.067  -7.100  18.615
  101   1HD2  ASN  16          2HD2      ASN  16  11.010 -10.372  20.582
  102   2HD2  ASN  16          1HD2      ASN  16  10.778  -8.786  21.146
  103    H    GLY  17           H        GLY  17   8.973  -5.175  21.181
  104   1HA   GLY  17          1HA       GLY  17   8.289  -2.964  20.745
  105   2HA   GLY  17          2HA       GLY  17  10.002  -2.643  20.474
  106    H    GLY  18           H        GLY  18   8.662  -5.092  18.529
  107   1HA   GLY  18          1HA       GLY  18   9.249  -3.770  16.070
  108   2HA   GLY  18          2HA       GLY  18   8.256  -5.217  16.224
  109    H    VAL  19           H        VAL  19   6.871  -4.350  14.564
  110    HA   VAL  19           HA       VAL  19   4.871  -2.530  15.706
  111    HB   VAL  19           HB       VAL  19   5.487  -2.025  12.840
  112   1HG1  VAL  19          1HG1      VAL  19   3.795  -0.772  14.175
  113   2HG1  VAL  19          2HG1      VAL  19   5.083  -0.193  15.228
  114   3HG1  VAL  19          3HG1      VAL  19   5.047   0.285  13.534
  115   1HG2  VAL  19          2HG2      VAL  19   7.380  -1.123  15.040
  116   2HG2  VAL  19          3HG2      VAL  19   7.782  -2.224  13.723
  117   3HG2  VAL  19          1HG2      VAL  19   7.403  -0.541  13.380
  118    H    CYS  20           H        CYS  20   2.819  -2.684  14.824
  119    HA   CYS  20           HA       CYS  20   2.292  -5.275  13.500
  120   1HB   CYS  20          1HB       CYS  20   0.123  -5.029  14.336
  121   2HB   CYS  20          2HB       CYS  20   1.036  -4.134  15.526
  122    H    MET  21           H        MET  21   1.076  -5.439  11.554
  123    HA   MET  21           HA       MET  21   0.879  -2.896   9.996
  124   1HB   MET  21          1HB       MET  21   1.672  -4.105   7.990
  125   2HB   MET  21          2HB       MET  21   2.872  -4.228   9.266
  126   1HG   MET  21          1HG       MET  21   1.997  -6.447   9.873
  127   2HG   MET  21          2HG       MET  21   0.801  -6.331   8.609
  128   1HE   MET  21          3HE       MET  21   1.378  -5.704   6.317
  129   2HE   MET  21          1HE       MET  21   3.008  -5.037   6.179
  130   3HE   MET  21          2HE       MET  21   2.604  -6.555   5.374
  131    H    HIS  22           H        HIS  22  -0.655  -2.857   8.351
  132    HA   HIS  22           HA       HIS  22  -2.782  -4.951   8.474
  133   1HB   HIS  22          1HB       HIS  22  -3.473  -3.145   9.991
  134   2HB   HIS  22          2HB       HIS  22  -3.162  -1.940   8.742
  135    HD1  HIS  22           HD1      HIS  22  -5.834  -1.617   9.170
  136    HD2  HIS  22           HD2      HIS  22  -4.809  -5.054   7.249
  137    HE1  HIS  22           HE1      HIS  22  -7.918  -2.538   8.307
  138    H    ILE  23           H        ILE  23  -2.771  -5.637   6.384
  139    HA   ILE  23           HA       ILE  23  -2.469  -3.680   4.230
  140    HB   ILE  23           HB       ILE  23  -3.086  -6.506   3.533
  141   1HG1  ILE  23          1HG1      ILE  23  -0.594  -7.055   4.104
  142   2HG1  ILE  23          2HG1      ILE  23  -0.718  -5.728   5.249
  143   1HG2  ILE  23          3HG2      ILE  23  -2.227  -4.596   2.024
  144   2HG2  ILE  23          1HG2      ILE  23  -0.681  -4.760   2.855
  145   3HG2  ILE  23          2HG2      ILE  23  -1.325  -6.105   1.916
  146   1HD1  ILE  23          2HD1      ILE  23  -3.043  -7.241   5.697
  147   2HD1  ILE  23          3HD1      ILE  23  -1.780  -8.440   5.449
  148   3HD1  ILE  23          1HD1      ILE  23  -1.604  -7.221   6.706
  149    H    GLU  24           H        GLU  24  -4.291  -2.599   3.824
  150    HA   GLU  24           HA       GLU  24  -6.925  -3.478   4.387
  151   1HB   GLU  24          1HB       GLU  24  -5.647  -1.239   3.012
  152   2HB   GLU  24          2HB       GLU  24  -7.080  -1.754   2.125
  153   1HG   GLU  24          1HG       GLU  24  -8.408  -1.634   4.221
  154   2HG   GLU  24          2HG       GLU  24  -6.974  -1.098   5.090
  155    H    SER  25           H        SER  25  -7.882  -5.177   3.562
  156    HA   SER  25           HA       SER  25  -8.657  -5.583   0.941
  157   1HB   SER  25          1HB       SER  25  -5.835  -6.453   1.473
  158   2HB   SER  25          2HB       SER  25  -6.843  -7.623   0.603
  159    HG   SER  25           HG       SER  25  -7.522  -5.409  -0.453
  160    H    LEU  26           H        LEU  26  -6.947  -8.189   2.549
  161    HA   LEU  26           HA       LEU  26  -9.387  -9.648   2.854
  162   1HB   LEU  26          1HB       LEU  26  -6.474 -10.090   3.443
  163   2HB   LEU  26          2HB       LEU  26  -7.600 -11.060   4.376
  164    HG   LEU  26           HG       LEU  26  -8.659 -11.598   2.003
  165   1HD1  LEU  26          2HD1      LEU  26  -7.145  -9.892   0.888
  166   2HD1  LEU  26          3HD1      LEU  26  -5.789 -10.942   1.267
  167   3HD1  LEU  26          1HD1      LEU  26  -7.062 -11.501   0.183
  168   1HD2  LEU  26          1HD2      LEU  26  -6.171 -12.683   3.293
  169   2HD2  LEU  26          2HD2      LEU  26  -7.763 -13.420   3.162
  170   3HD2  LEU  26          3HD2      LEU  26  -6.702 -13.352   1.754
  171    H    ASP  27           H        ASP  27  -8.142  -7.144   4.446
  172    HA   ASP  27           HA       ASP  27  -8.511  -6.154   6.526
  173   1HB   ASP  27          1HB       ASP  27 -10.894  -6.868   5.832
  174   2HB   ASP  27          2HB       ASP  27 -10.677  -8.266   6.882
  175    H    SER  28           H        SER  28  -6.929  -8.806   6.241
  176    HA   SER  28           HA       SER  28  -7.198  -9.983   8.866
  177   1HB   SER  28          1HB       SER  28  -4.863 -10.282   6.916
  178   2HB   SER  28          2HB       SER  28  -5.380 -11.447   8.153
  179    HG   SER  28           HG       SER  28  -6.436 -12.148   6.402
  180    OH   TYR  29           OH       TYR  29  -8.649  -5.023  10.127
  181    H    TYR  29           H        TYR  29  -4.612 -10.339   9.739
  182    HA   TYR  29           HA       TYR  29  -3.354  -7.682   9.962
  183   1HB   TYR  29          1HB       TYR  29  -4.666  -9.129  12.298
  184   2HB   TYR  29          2HB       TYR  29  -3.626  -7.708  12.479
  185    HD1  TYR  29           HD2      TYR  29  -4.260  -5.685  10.985
  186    HD2  TYR  29           HD1      TYR  29  -6.962  -8.805  11.945
  187    HE1  TYR  29           HE2      TYR  29  -6.102  -4.336  10.171
  188    HE2  TYR  29           HE1      TYR  29  -8.821  -7.474  11.079
  189    HH   TYR  29           HH       TYR  29  -8.340  -4.118  10.047
  190    H    THR  30           H        THR  30  -1.251  -7.728  10.888
  191    HA   THR  30           HA       THR  30  -0.279 -10.244  11.981
  192    HB   THR  30           HB       THR  30   0.738 -11.080  10.061
  193    HG1  THR  30           HG1      THR  30   1.592  -8.411   9.599
  194   1HG2  THR  30          2HG2      THR  30  -0.487  -8.575   8.761
  195   2HG2  THR  30          3HG2      THR  30   0.328  -9.840   7.853
  196   3HG2  THR  30          1HG2      THR  30  -1.164 -10.202   8.707
  197    H    CYS  31           H        CYS  31   2.223 -10.081  11.873
  198    HA   CYS  31           HA       CYS  31   2.853  -7.584  13.338
  199   1HB   CYS  31          1HB       CYS  31   3.407 -10.391  13.680
  200   2HB   CYS  31          2HB       CYS  31   4.922  -9.542  13.526
  201    H    ASN  32           H        ASN  32   5.070  -6.839  13.225
  202    HA   ASN  32           HA       ASN  32   6.357  -7.279  10.586
  203   1HB   ASN  32          1HB       ASN  32   4.806  -5.090  10.965
  204   2HB   ASN  32          2HB       ASN  32   6.276  -4.478  11.711
  205   1HD2  ASN  32          2HD2      ASN  32   6.064  -4.224   7.807
  206   2HD2  ASN  32          1HD2      ASN  32   4.766  -4.198   8.901
  207    H    CYS  33           H        CYS  33   7.835  -8.529  11.771
  208    HA   CYS  33           HA       CYS  33   9.397  -7.295  13.923
  209   1HB   CYS  33          1HB       CYS  33  10.281  -9.770  12.495
  210   2HB   CYS  33          2HB       CYS  33  10.316  -9.422  14.211
  211    H    VAL  34           H        VAL  34  11.885  -8.717  12.901
  212    HA   VAL  34           HA       VAL  34  12.601  -7.257  10.498
  213    HB   VAL  34           HB       VAL  34  14.481  -6.283  12.502
  214   1HG1  VAL  34          1HG1      VAL  34  14.227  -5.463  10.191
  215   2HG1  VAL  34          2HG1      VAL  34  12.610  -4.884  10.582
  216   3HG1  VAL  34          3HG1      VAL  34  14.017  -4.164  11.359
  217   1HG2  VAL  34          2HG2      VAL  34  12.228  -6.297  13.875
  218   2HG2  VAL  34          3HG2      VAL  34  13.152  -4.810  13.794
  219   3HG2  VAL  34          1HG2      VAL  34  11.747  -5.026  12.762
  220    H    ILE  35           H        ILE  35  15.261  -7.042  10.778
  221    HA   ILE  35           HA       ILE  35  16.156  -9.693  10.264
  222    HB   ILE  35           HB       ILE  35  17.058  -7.745   9.132
  223   1HG1  ILE  35          1HG1      ILE  35  19.425  -8.197  10.815
  224   2HG1  ILE  35          2HG1      ILE  35  18.655  -9.663  10.234
  225   1HG2  ILE  35          1HG2      ILE  35  17.528  -6.807  11.987
  226   2HG2  ILE  35          2HG2      ILE  35  18.455  -6.103  10.669
  227   3HG2  ILE  35          3HG2      ILE  35  16.706  -5.959  10.690
  228   1HD1  ILE  35          1HD1      ILE  35  19.277  -7.333   8.401
  229   2HD1  ILE  35          2HD1      ILE  35  20.429  -8.633   8.687
  230   3HD1  ILE  35          3HD1      ILE  35  18.872  -8.985   7.947
  231    H    GLY  36           H        GLY  36  15.254 -10.068  12.719
  232   1HA   GLY  36          1HA       GLY  36  16.992 -11.449  14.200
  233   2HA   GLY  36          2HA       GLY  36  17.462  -9.835  14.712
  234    OH   TYR  37           OH       TYR  37  15.834  -5.307  18.201
  235    H    TYR  37           H        TYR  37  14.290 -10.635  13.739
  236    HA   TYR  37           HA       TYR  37  13.226 -10.935  16.449
  237   1HB   TYR  37          1HB       TYR  37  12.440  -8.741  14.540
  238   2HB   TYR  37          2HB       TYR  37  11.666  -9.062  16.086
  239    HD1  TYR  37           HD2      TYR  37  13.498  -9.151  18.179
  240    HD2  TYR  37           HD1      TYR  37  14.164  -7.183  14.467
  241    HE1  TYR  37           HE2      TYR  37  14.832  -7.503  19.254
  242    HE2  TYR  37           HE1      TYR  37  15.282  -5.337  15.591
  243    HH   TYR  37           HH       TYR  37  15.398  -4.469  18.028
  244    H    SER  38           H        SER  38  12.001 -12.683  16.291
  245    HA   SER  38           HA       SER  38   9.882 -12.771  14.267
  246   1HB   SER  38          1HB       SER  38  11.381 -15.298  14.089
  247   2HB   SER  38          2HB       SER  38  10.893 -14.208  12.776
  248    HG   SER  38           HG       SER  38  12.655 -12.950  13.162
  249    H    GLY  39           H        GLY  39   9.218 -15.441  14.350
  250   1HA   GLY  39          1HA       GLY  39   8.734 -17.246  15.947
  251   2HA   GLY  39          2HA       GLY  39   8.912 -16.080  17.256
  252    H    ASP  40           H        ASP  40   6.784 -16.651  18.063
  253    HA   ASP  40           HA       ASP  40   4.364 -16.775  16.704
  254   1HB   ASP  40          1HB       ASP  40   4.611 -16.936  19.212
  255   2HB   ASP  40          2HB       ASP  40   4.890 -15.196  19.284
  256    NH1  ARG  41           NH2      ARG  41   2.836 -12.394  23.087
  257    NH2  ARG  41           NH1      ARG  41   0.944 -11.222  22.566
  258    H    ARG  41           H        ARG  41   4.807 -13.753  18.429
  259    HA   ARG  41           HA       ARG  41   3.735 -12.337  16.086
  260   1HB   ARG  41          1HB       ARG  41   4.743 -10.884  18.551
  261   2HB   ARG  41          2HB       ARG  41   3.279 -10.597  17.624
  262   1HG   ARG  41          1HG       ARG  41   2.499 -12.913  18.551
  263   2HG   ARG  41          2HG       ARG  41   3.793 -12.714  19.733
  264   1HD   ARG  41          1HD       ARG  41   2.040 -10.379  19.441
  265   2HD   ARG  41          2HD       ARG  41   1.226 -11.807  20.040
  266    HE   ARG  41           HE       ARG  41   3.578 -10.545  21.358
  267   1HH1  ARG  41          1HH2      ARG  41   3.781 -12.638  22.866
  268   2HH1  ARG  41          2HH2      ARG  41   2.396 -12.784  23.895
  269   1HH2  ARG  41          1HH1      ARG  41   0.470 -10.586  21.953
  270   2HH2  ARG  41          2HH1      ARG  41   0.471 -11.587  23.368
  271    H    CYS  42           H        CYS  42   6.376 -11.854  18.325
  272    HA   CYS  42           HA       CYS  42   8.559 -12.038  16.564
  273   1HB   CYS  42          1HB       CYS  42   7.998  -9.153  17.283
  274   2HB   CYS  42          2HB       CYS  42   9.303  -9.778  16.291
  275    H    GLN  43           H        GLN  43   8.795 -13.187  18.590
  276    HA   GLN  43           HA       GLN  43   9.705 -11.410  20.826
  277   1HB   GLN  43          1HB       GLN  43   9.276 -13.289  22.262
  278   2HB   GLN  43          2HB       GLN  43   7.885 -13.136  21.197
  279   1HG   GLN  43          1HG       GLN  43   9.362 -14.775  19.669
  280   2HG   GLN  43          2HG       GLN  43  10.004 -15.240  21.240
  281   1HE2  GLN  43          2HE2      GLN  43   6.277 -16.411  20.165
  282   2HE2  GLN  43          1HE2      GLN  43   7.274 -15.523  19.115
  283    H    THR  44           H        THR  44  10.742 -13.628  18.462
  284    HA   THR  44           HA       THR  44  13.033 -14.656  19.839
  285    HB   THR  44           HB       THR  44  12.465 -14.569  16.833
  286    HG1  THR  44           HG1      THR  44  11.754 -16.264  18.999
  287   1HG2  THR  44          2HG2      THR  44  14.696 -15.554  18.338
  288   2HG2  THR  44          3HG2      THR  44  13.702 -16.964  17.986
  289   3HG2  THR  44          1HG2      THR  44  14.311 -15.964  16.671
  290    NH1  ARG  45           NH2      ARG  45  17.061  -9.209  24.669
  291    NH2  ARG  45           NH1      ARG  45  16.292  -7.112  24.196
  292    H    ARG  45           H        ARG  45  14.114 -12.821  20.595
  293    HA   ARG  45           HA       ARG  45  15.370 -10.949  18.681
  294   1HB   ARG  45          1HB       ARG  45  14.284 -10.306  20.886
  295   2HB   ARG  45          2HB       ARG  45  15.508 -11.254  21.721
  296   1HG   ARG  45          1HG       ARG  45  17.214  -9.805  21.141
  297   2HG   ARG  45          2HG       ARG  45  16.354  -9.169  19.746
  298   1HD   ARG  45          1HD       ARG  45  16.328  -7.520  21.623
  299   2HD   ARG  45          2HD       ARG  45  14.695  -8.103  21.285
  300    HE   ARG  45           HE       ARG  45  14.896  -9.587  23.248
  301   1HH1  ARG  45          1HH2      ARG  45  17.050 -10.190  24.473
  302   2HH1  ARG  45          2HH2      ARG  45  17.648  -8.852  25.396
  303   1HH2  ARG  45          1HH1      ARG  45  15.704  -6.520  23.646
  304   2HH2  ARG  45          2HH1      ARG  45  16.865  -6.720  24.915
  305    H    ASP  46           H        ASP  46  16.828 -12.587  17.723
  306    HA   ASP  46           HA       ASP  46  18.805 -13.819  19.622
  307   1HB   ASP  46          1HB       ASP  46  17.604 -14.629  17.033
  308   2HB   ASP  46          2HB       ASP  46  19.311 -15.020  17.216
  309    H    LEU  47           H        LEU  47  20.955 -14.367  18.527
  310    HA   LEU  47           HA       LEU  47  22.436 -11.952  18.156
  311   1HB   LEU  47          1HB       LEU  47  24.274 -13.568  17.437
  312   2HB   LEU  47          2HB       LEU  47  23.545 -13.958  18.991
  313    HG   LEU  47           HG       LEU  47  22.058 -15.154  16.787
  314   1HD1  LEU  47          2HD1      LEU  47  24.993 -15.870  17.114
  315   2HD1  LEU  47          3HD1      LEU  47  23.826 -16.829  16.210
  316   3HD1  LEU  47          1HD1      LEU  47  24.239 -15.206  15.669
  317   1HD2  LEU  47          2HD2      LEU  47  21.905 -15.772  19.195
  318   2HD2  LEU  47          3HD2      LEU  47  22.337 -17.155  18.194
  319   3HD2  LEU  47          1HD2      LEU  47  23.574 -16.334  19.142
  320    NH1  ARG  48           NH1      ARG  48  18.805 -13.839  10.889
  321    NH2  ARG  48           NH2      ARG  48  17.185 -15.072  11.925
  322    H    ARG  48           H        ARG  48  20.970 -11.087  16.451
  323    HA   ARG  48           HA       ARG  48  22.169 -11.628  13.898
  324   1HB   ARG  48          1HB       ARG  48  19.396 -11.297  13.352
  325   2HB   ARG  48          2HB       ARG  48  20.358 -12.725  13.084
  326   1HG   ARG  48          1HG       ARG  48  19.918 -13.355  15.526
  327   2HG   ARG  48          2HG       ARG  48  18.760 -12.037  15.590
  328   1HD   ARG  48          1HD       ARG  48  18.624 -14.681  14.227
  329   2HD   ARG  48          2HD       ARG  48  17.315 -13.669  14.830
  330    HE   ARG  48           HE       ARG  48  17.780 -12.246  12.711
  331   1HH1  ARG  48          1HH1      ARG  48  19.401 -13.037  10.888
  332   2HH1  ARG  48          2HH1      ARG  48  18.831 -14.483  10.124
  333   1HH2  ARG  48          1HH2      ARG  48  16.567 -15.195  12.701
  334   2HH2  ARG  48          2HH2      ARG  48  17.186 -15.735  11.175
  335    CH2  TRP  49           CH2      TRP  49  17.851  -2.727  12.678
  336    H    TRP  49           H        TRP  49  19.285  -9.882  14.408
  337    HA   TRP  49           HA       TRP  49  19.770  -7.644  13.051
  338   1HB   TRP  49          1HB       TRP  49  17.644  -7.700  14.122
  339   2HB   TRP  49          2HB       TRP  49  18.388  -8.007  15.681
  340    HD1  TRP  49           HD1      TRP  49  17.547  -6.209  17.019
  341    HE1  TRP  49           HE1      TRP  49  16.770  -3.883  16.531
  342    HE3  TRP  49           HE3      TRP  49  19.648  -5.551  12.580
  343    HZ2  TRP  49           HZ2      TRP  49  16.576  -2.209  14.300
  344    HZ3  TRP  49           HZ3      TRP  49  19.060  -3.627  11.168
  345    HH2  TRP  49           HH2      TRP  49  17.643  -1.841  12.099
  346    CH2  TRP  50           CH2      TRP  50  21.275 -11.017  20.209
  347    H    TRP  50           H        TRP  50  20.142  -7.467  16.457
  348    HA   TRP  50           HA       TRP  50  21.787  -5.145  16.293
  349   1HB   TRP  50          1HB       TRP  50  22.615  -6.270  18.719
  350   2HB   TRP  50          2HB       TRP  50  21.240  -5.202  18.521
  351    HD1  TRP  50           HD1      TRP  50  18.797  -6.303  18.612
  352    HE1  TRP  50           HE1      TRP  50  18.033  -8.667  18.958
  353    HE3  TRP  50           HE3      TRP  50  23.206  -8.384  19.377
  354    HZ2  TRP  50           HZ2      TRP  50  19.172 -11.153  19.834
  355    HZ3  TRP  50           HZ3      TRP  50  23.373 -10.637  20.334
  356    HH2  TRP  50           HH2      TRP  50  21.347 -12.001  20.647
  357    H    GLU  51           H        GLU  51  23.093  -8.175  17.622
  358    HA   GLU  51           HA       GLU  51  25.223  -9.124  17.375
  359   1HB   GLU  51          1HB       GLU  51  24.307  -8.330  14.714
  360   2HB   GLU  51          2HB       GLU  51  26.054  -8.166  14.824
  361   1HG   GLU  51          1HG       GLU  51  24.608 -10.666  15.755
  362   2HG   GLU  51          2HG       GLU  51  25.176 -10.470  14.100
  363    H    LEU  52           H        LEU  52  27.574  -8.522  16.632
  364    HA   LEU  52           HA       LEU  52  28.387  -6.329  18.199
  365   1HB   LEU  52          1HB       LEU  52  30.022  -7.629  16.000
  366   2HB   LEU  52          2HB       LEU  52  30.624  -6.892  17.480
  367    HG   LEU  52           HG       LEU  52  29.015  -9.453  17.227
  368   1HD1  LEU  52          1HD1      LEU  52  31.574  -9.349  16.857
  369   2HD1  LEU  52          2HD1      LEU  52  31.681  -8.997  18.578
  370   3HD1  LEU  52          3HD1      LEU  52  30.982 -10.520  18.032
  371   1HD2  LEU  52          1HD2      LEU  52  29.654  -7.716  19.615
  372   2HD2  LEU  52          2HD2      LEU  52  28.123  -8.474  19.187
  373   3HD2  LEU  52          3HD2      LEU  52  29.450  -9.454  19.801
  374    NH1  ARG  53           NH1      ARG  53  24.028  -0.425  13.461
  375    NH2  ARG  53           NH2      ARG  53  23.900  -1.163  11.300
  376    H    ARG  53           H        ARG  53  27.670  -6.601  14.810
  377    HA   ARG  53           HA       ARG  53  27.696  -5.010  13.087
  378   1HB   ARG  53          1HB       ARG  53  27.129  -3.412  15.601
  379   2HB   ARG  53          2HB       ARG  53  27.323  -2.576  14.067
  380   1HG   ARG  53          1HG       ARG  53  25.499  -4.956  14.196
  381   2HG   ARG  53          2HG       ARG  53  24.932  -3.423  14.848
  382   1HD   ARG  53          1HD       ARG  53  25.977  -3.869  12.026
  383   2HD   ARG  53          2HD       ARG  53  24.291  -3.638  12.478
  384    HE   ARG  53           HE       ARG  53  26.390  -1.531  12.791
  385   1HH1  ARG  53          1HH1      ARG  53  24.490  -0.456  14.349
  386   2HH1  ARG  53          2HH1      ARG  53  23.233   0.168  13.332
  387   1HH2  ARG  53          1HH2      ARG  53  24.264  -1.746  10.574
  388   2HH2  ARG  53                 ARG  53  23.105  -0.582  11.125
   
  Start of MODEL          10
 Raw file had 388 H/Q atoms
  Start of MODEL   10
    1   1H    ASN   1          3H        ASN   1  -2.997   4.295   4.528
    2   2H    ASN   1          1H        ASN   1  -2.049   4.772   3.203
    3   3H    ASN   1          2H        ASN   1  -3.700   5.162   3.250
    4    HA   ASN   1           HA       ASN   1  -4.376   3.142   2.601
    5   1HB   ASN   1          1HB       ASN   1  -2.311   4.043   1.113
    6   2HB   ASN   1          2HB       ASN   1  -1.558   2.567   1.712
    7   1HD2  ASN   1          2HD2      ASN   1  -3.153   0.848  -0.917
    8   2HD2  ASN   1          1HD2      ASN   1  -1.690   1.265  -0.163
    9    H    SER   2           H        SER   2  -4.333   0.862   2.805
   10    HA   SER   2           HA       SER   2  -4.070  -1.097   4.058
   11   1HB   SER   2          1HB       SER   2  -1.657  -0.556   2.997
   12   2HB   SER   2          2HB       SER   2  -1.233  -0.310   4.702
   13    HG   SER   2           HG       SER   2  -2.317  -2.344   5.104
   14    OH   TYR   3           OH       TYR   3 -10.355   2.249   9.340
   15    H    TYR   3           H        TYR   3  -4.568   1.584   5.425
   16    HA   TYR   3           HA       TYR   3  -4.850   2.345   7.616
   17   1HB   TYR   3          1HB       TYR   3  -5.182  -0.572   7.647
   18   2HB   TYR   3          2HB       TYR   3  -4.641   0.055   9.201
   19    HD1  TYR   3           HD1      TYR   3  -5.945   1.920  10.287
   20    HD2  TYR   3           HD2      TYR   3  -7.414  -0.162   6.885
   21    HE1  TYR   3           HE1      TYR   3  -8.201   2.752  10.756
   22    HE2  TYR   3           HE2      TYR   3  -9.675   0.669   7.351
   23    HH   TYR   3           HH       TYR   3 -10.900   1.511   9.624
   24    HA   PRO   4           HA       PRO   4  -0.387   2.407   8.591
   25   1HB   PRO   4          1HB       PRO   4  -0.935   4.629  10.398
   26   2HB   PRO   4          2HB       PRO   4  -0.015   4.652   8.894
   27   1HG   PRO   4          1HG       PRO   4  -2.602   5.768   9.324
   28   2HG   PRO   4          2HG       PRO   4  -1.775   5.602   7.774
   29   1HD   PRO   4          2HD       PRO   4  -4.044   4.084   8.802
   30   2HD   PRO   4          1HD       PRO   4  -3.347   4.056   7.168
   31    H    GLY   5           H        GLY   5  -0.054   0.707   9.902
   32   1HA   GLY   5          1HA       GLY   5   0.514  -0.060  12.128
   33   2HA   GLY   5          2HA       GLY   5  -0.660   1.074  12.785
   34    H    CYS   6           H        CYS   6  -2.177  -0.071  13.780
   35    HA   CYS   6           HA       CYS   6  -3.785  -1.960  12.294
   36   1HB   CYS   6          1HB       CYS   6  -3.373  -3.673  14.230
   37   2HB   CYS   6          2HB       CYS   6  -2.151  -3.527  12.992
   38    HA   PRO   7           HA       PRO   7  -7.103  -0.520  14.812
   39   1HB   PRO   7          1HB       PRO   7  -7.404  -3.334  15.832
   40   2HB   PRO   7          2HB       PRO   7  -8.612  -2.303  15.053
   41   1HG   PRO   7          1HG       PRO   7  -7.179  -4.408  13.804
   42   2HG   PRO   7          2HG       PRO   7  -8.083  -3.147  12.962
   43   1HD   PRO   7          2HD       PRO   7  -5.241  -3.529  13.020
   44   2HD   PRO   7          1HD       PRO   7  -6.129  -2.228  12.208
   45    H    SER   8           H        SER   8  -6.358   0.675  16.471
   46    HA   SER   8           HA       SER   8  -4.383   0.189  18.306
   47   1HB   SER   8          1HB       SER   8  -5.536   1.735  19.871
   48   2HB   SER   8          2HB       SER   8  -5.683   2.331  18.203
   49    HG   SER   8           HG       SER   8  -7.745   1.872  18.215
   50    H    SER   9           H        SER   9  -7.514  -1.339  18.355
   51    HA   SER   9           HA       SER   9  -7.678  -2.131  21.042
   52   1HB   SER   9          1HB       SER   9  -9.409  -2.813  19.393
   53   2HB   SER   9          2HB       SER   9  -8.225  -3.816  18.532
   54    HG   SER   9           HG       SER   9  -8.915  -4.072  21.277
   55    OH   TYR  10           OH       TYR  10  -5.479  -8.574  15.179
   56    H    TYR  10           H        TYR  10  -5.292  -2.733  18.785
   57    HA   TYR  10           HA       TYR  10  -4.213  -5.143  19.993
   58   1HB   TYR  10          1HB       TYR  10  -3.565  -3.339  17.664
   59   2HB   TYR  10          2HB       TYR  10  -2.319  -4.425  18.262
   60    HD1  TYR  10           HD2      TYR  10  -3.332  -6.903  18.781
   61    HD2  TYR  10           HD1      TYR  10  -4.887  -4.157  15.944
   62    HE1  TYR  10           HE2      TYR  10  -4.093  -8.760  17.415
   63    HE2  TYR  10           HE1      TYR  10  -5.740  -6.005  14.615
   64    HH   TYR  10           HH       TYR  10  -4.915  -9.334  15.341
   65    H    ASP  11           H        ASP  11  -2.739  -2.069  19.099
   66    HA   ASP  11           HA       ASP  11  -0.792  -1.087  19.970
   67   1HB   ASP  11          1HB       ASP  11  -3.026  -0.336  21.026
   68   2HB   ASP  11          2HB       ASP  11  -2.500  -1.241  22.451
   69    H    GLY  12           H        GLY  12  -0.702  -4.013  20.182
   70   1HA   GLY  12          1HA       GLY  12   1.509  -4.161  22.051
   71   2HA   GLY  12          2HA       GLY  12   0.096  -5.010  22.657
   72    OH   TYR  13           OH       TYR  13  -1.218 -12.747  16.152
   73    H    TYR  13           H        TYR  13  -0.685  -5.834  19.870
   74    HA   TYR  13           HA       TYR  13   0.189  -8.393  19.706
   75   1HB   TYR  13          1HB       TYR  13  -1.236  -6.917  18.001
   76   2HB   TYR  13          2HB       TYR  13   0.284  -6.877  17.112
   77    HD1  TYR  13           HD2      TYR  13  -2.178  -9.119  18.703
   78    HD2  TYR  13           HD1      TYR  13   1.058  -8.838  15.963
   79    HE1  TYR  13           HE2      TYR  13  -2.602 -11.430  17.965
   80    HE2  TYR  13           HE1      TYR  13   0.663 -11.151  15.247
   81    HH   TYR  13           HH       TYR  13  -2.034 -13.049  16.557
   82    H    CYS  14           H        CYS  14   2.005  -5.879  17.887
   83    HA   CYS  14           HA       CYS  14   4.059  -7.661  17.120
   84   1HB   CYS  14          1HB       CYS  14   3.732  -4.720  17.285
   85   2HB   CYS  14          2HB       CYS  14   5.382  -5.287  17.222
   86    H    LEU  15           H        LEU  15   5.554  -8.624  18.029
   87    HA   LEU  15           HA       LEU  15   6.449  -8.137  20.791
   88   1HB   LEU  15          1HB       LEU  15   6.247 -10.279  18.784
   89   2HB   LEU  15          2HB       LEU  15   7.741 -10.310  19.699
   90    HG   LEU  15           HG       LEU  15   6.655 -10.656  21.709
   91   1HD1  LEU  15          1HD1      LEU  15   4.364  -9.303  20.429
   92   2HD1  LEU  15          2HD1      LEU  15   3.947 -10.593  21.542
   93   3HD1  LEU  15          3HD1      LEU  15   4.917  -9.233  22.094
   94   1HD2  LEU  15          1HD2      LEU  15   6.411 -12.387  19.748
   95   2HD2  LEU  15          2HD2      LEU  15   5.640 -12.693  21.302
   96   3HD2  LEU  15          3HD2      LEU  15   4.694 -12.064  19.950
   97    H    ASN  16           H        ASN  16   8.532  -7.961  21.380
   98    HA   ASN  16           HA       ASN  16  10.703  -6.989  21.128
   99   1HB   ASN  16          1HB       ASN  16  10.793  -9.013  18.912
  100   2HB   ASN  16          2HB       ASN  16  12.035  -8.605  20.088
  101   1HD2  ASN  16          2HD2      ASN  16   9.875 -11.664  21.024
  102   2HD2  ASN  16          1HD2      ASN  16  10.490 -11.194  19.514
  103    H    GLY  17           H        GLY  17  10.114  -4.920  20.304
  104   1HA   GLY  17          1HA       GLY  17   9.895  -3.255  18.621
  105   2HA   GLY  17          2HA       GLY  17  11.506  -3.852  18.248
  106    H    GLY  18           H        GLY  18   8.087  -4.250  17.495
  107   1HA   GLY  18          1HA       GLY  18   8.894  -5.081  14.742
  108   2HA   GLY  18          2HA       GLY  18   7.680  -6.017  15.609
  109    H    VAL  19           H        VAL  19   7.686  -4.186  13.141
  110    HA   VAL  19           HA       VAL  19   5.800  -2.114  13.931
  111    HB   VAL  19           HB       VAL  19   6.188  -2.772  11.051
  112   1HG1  VAL  19          1HG1      VAL  19   5.060  -0.706  12.020
  113   2HG1  VAL  19          2HG1      VAL  19   6.645  -0.202  12.594
  114   3HG1  VAL  19          3HG1      VAL  19   6.347  -0.372  10.867
  115   1HG2  VAL  19          2HG2      VAL  19   8.453  -1.998  12.912
  116   2HG2  VAL  19          3HG2      VAL  19   8.409  -3.328  11.759
  117   3HG2  VAL  19          1HG2      VAL  19   8.505  -1.670  11.183
  118    H    CYS  20           H        CYS  20   3.669  -2.454  14.078
  119    HA   CYS  20           HA       CYS  20   2.559  -4.968  13.145
  120   1HB   CYS  20          1HB       CYS  20   0.765  -4.462  14.456
  121   2HB   CYS  20          2HB       CYS  20   1.942  -3.410  15.195
  122    H    MET  21           H        MET  21   1.222  -5.373  11.463
  123    HA   MET  21           HA       MET  21   0.693  -3.095   9.585
  124   1HB   MET  21          1HB       MET  21   1.531  -5.973   9.101
  125   2HB   MET  21          2HB       MET  21   0.718  -5.067   7.839
  126   1HG   MET  21          1HG       MET  21   2.700  -3.335   8.730
  127   2HG   MET  21          2HG       MET  21   3.460  -4.899   8.817
  128   1HE   MET  21          3HE       MET  21   1.092  -2.941   6.953
  129   2HE   MET  21          1HE       MET  21   2.115  -2.219   5.714
  130   3HE   MET  21          2HE       MET  21   1.120  -3.623   5.327
  131    H    HIS  22           H        HIS  22  -1.079  -3.354   8.161
  132    HA   HIS  22           HA       HIS  22  -3.235  -5.223   9.014
  133   1HB   HIS  22          1HB       HIS  22  -3.658  -3.300  10.420
  134   2HB   HIS  22          2HB       HIS  22  -3.446  -2.190   9.066
  135    HD1  HIS  22           HD1      HIS  22  -6.001  -1.596   9.631
  136    HD2  HIS  22           HD2      HIS  22  -5.487  -5.355   8.164
  137    HE1  HIS  22           HE1      HIS  22  -8.229  -2.393   9.055
  138    H    ILE  23           H        ILE  23  -3.616  -6.129   7.050
  139    HA   ILE  23           HA       ILE  23  -3.720  -4.410   4.685
  140    HB   ILE  23           HB       ILE  23  -4.334  -7.361   4.680
  141   1HG1  ILE  23          1HG1      ILE  23  -1.638  -7.309   4.196
  142   2HG1  ILE  23          2HG1      ILE  23  -1.767  -6.083   5.445
  143   1HG2  ILE  23          3HG2      ILE  23  -4.391  -5.757   2.639
  144   2HG2  ILE  23          1HG2      ILE  23  -2.636  -5.694   2.782
  145   3HG2  ILE  23          2HG2      ILE  23  -3.439  -7.225   2.443
  146   1HD1  ILE  23          2HD1      ILE  23  -3.256  -7.854   6.681
  147   2HD1  ILE  23          3HD1      ILE  23  -2.503  -9.004   5.584
  148   3HD1  ILE  23          1HD1      ILE  23  -1.512  -8.067   6.695
  149    H    GLU  24           H        GLU  24  -5.573  -3.460   4.258
  150    HA   GLU  24           HA       GLU  24  -8.044  -4.005   5.495
  151   1HB   GLU  24          1HB       GLU  24  -7.053  -2.119   3.704
  152   2HB   GLU  24          2HB       GLU  24  -8.288  -2.944   2.755
  153   1HG   GLU  24          1HG       GLU  24  -9.828  -2.661   4.793
  154   2HG   GLU  24          2HG       GLU  24  -8.620  -1.544   5.424
  155    H    SER  25           H        SER  25  -6.648  -5.431   2.619
  156    HA   SER  25           HA       SER  25  -8.799  -6.493   1.280
  157   1HB   SER  25          1HB       SER  25  -6.187  -7.857   2.093
  158   2HB   SER  25          2HB       SER  25  -7.325  -8.576   0.937
  159    HG   SER  25           HG       SER  25  -7.134  -6.077   0.252
  160    H    LEU  26           H        LEU  26  -7.211  -8.733   3.484
  161    HA   LEU  26           HA       LEU  26  -9.726  -9.994   4.048
  162   1HB   LEU  26          1HB       LEU  26  -6.912 -10.442   5.113
  163   2HB   LEU  26          2HB       LEU  26  -8.272 -11.476   5.521
  164    HG   LEU  26           HG       LEU  26  -8.393 -11.346   2.742
  165   1HD1  LEU  26          2HD1      LEU  26  -6.144 -10.242   2.786
  166   2HD1  LEU  26          3HD1      LEU  26  -5.502 -11.656   3.616
  167   3HD1  LEU  26          1HD1      LEU  26  -6.118 -11.804   1.974
  168   1HD2  LEU  26          1HD2      LEU  26  -7.089 -13.358   4.605
  169   2HD2  LEU  26          2HD2      LEU  26  -8.757 -13.363   4.043
  170   3HD2  LEU  26          3HD2      LEU  26  -7.448 -13.682   2.911
  171    H    ASP  27           H        ASP  27  -8.524  -7.228   5.198
  172    HA   ASP  27           HA       ASP  27  -8.832  -6.014   7.202
  173   1HB   ASP  27          1HB       ASP  27 -10.991  -8.004   7.957
  174   2HB   ASP  27          2HB       ASP  27 -11.020  -6.249   8.084
  175    H    SER  28           H        SER  28  -7.438  -8.826   7.079
  176    HA   SER  28           HA       SER  28  -7.601  -9.767   9.795
  177   1HB   SER  28          1HB       SER  28  -6.802 -10.944   7.497
  178   2HB   SER  28          2HB       SER  28  -5.214 -10.404   8.079
  179    HG   SER  28           HG       SER  28  -6.278 -11.243  10.208
  180    OH   TYR  29           OH       TYR  29  -8.838  -4.919  11.278
  181    H    TYR  29           H        TYR  29  -4.898 -10.226  10.411
  182    HA   TYR  29           HA       TYR  29  -3.588  -7.595  10.462
  183   1HB   TYR  29          1HB       TYR  29  -4.574  -8.983  12.993
  184   2HB   TYR  29          2HB       TYR  29  -3.541  -7.548  12.972
  185    HD1  TYR  29           HD2      TYR  29  -4.386  -5.514  11.678
  186    HD2  TYR  29           HD1      TYR  29  -6.924  -8.729  12.789
  187    HE1  TYR  29           HE2      TYR  29  -6.316  -4.208  11.041
  188    HE2  TYR  29           HE1      TYR  29  -8.885  -7.386  12.201
  189    HH   TYR  29           HH       TYR  29  -9.388  -4.850  12.061
  190    H    THR  30           H        THR  30  -1.436  -7.642  11.015
  191    HA   THR  30           HA       THR  30  -0.230 -10.156  11.922
  192    HB   THR  30           HB       THR  30  -0.488 -10.374   9.372
  193    HG1  THR  30           HG1      THR  30   1.214 -11.394  10.415
  194   1HG2  THR  30          2HG2      THR  30   0.063  -7.759   9.144
  195   2HG2  THR  30          3HG2      THR  30   1.737  -8.301   9.240
  196   3HG2  THR  30          1HG2      THR  30   0.700  -8.867   7.935
  197    H    CYS  31           H        CYS  31   2.360  -9.524  11.113
  198    HA   CYS  31           HA       CYS  31   2.934  -6.802  11.959
  199   1HB   CYS  31          1HB       CYS  31   3.171  -9.144  13.760
  200   2HB   CYS  31          2HB       CYS  31   4.601  -8.151  13.697
  201    H    ASN  32           H        ASN  32   5.074  -6.175  11.662
  202    HA   ASN  32           HA       ASN  32   6.592  -7.996   9.852
  203   1HB   ASN  32          1HB       ASN  32   5.873  -5.845   8.828
  204   2HB   ASN  32          2HB       ASN  32   6.653  -4.956  10.136
  205   1HD2  ASN  32          2HD2      ASN  32   9.076  -6.930   7.450
  206   2HD2  ASN  32          1HD2      ASN  32   7.537  -7.557   7.794
  207    H    CYS  33           H        CYS  33   7.864  -9.080  11.320
  208    HA   CYS  33           HA       CYS  33   9.193  -7.796  13.512
  209   1HB   CYS  33          1HB       CYS  33  10.344 -10.206  12.114
  210   2HB   CYS  33          2HB       CYS  33  10.254  -9.884  13.832
  211    H    VAL  34           H        VAL  34  11.930  -8.828  12.904
  212    HA   VAL  34           HA       VAL  34  12.791  -7.345  10.564
  213    HB   VAL  34           HB       VAL  34  14.199  -6.124  12.834
  214   1HG1  VAL  34          1HG1      VAL  34  14.318  -5.454  10.450
  215   2HG1  VAL  34          2HG1      VAL  34  12.630  -4.962  10.520
  216   3HG1  VAL  34          3HG1      VAL  34  13.835  -4.122  11.493
  217   1HG2  VAL  34          2HG2      VAL  34  11.708  -6.301  13.718
  218   2HG2  VAL  34          3HG2      VAL  34  12.538  -4.761  13.783
  219   3HG2  VAL  34          1HG2      VAL  34  11.383  -5.089  12.490
  220    H    ILE  35           H        ILE  35  15.333  -6.746  11.268
  221    HA   ILE  35           HA       ILE  35  16.635  -9.277  10.992
  222    HB   ILE  35           HB       ILE  35  17.503  -7.373   9.858
  223   1HG1  ILE  35          1HG1      ILE  35  19.454  -7.199  12.093
  224   2HG1  ILE  35          2HG1      ILE  35  19.161  -8.795  11.423
  225   1HG2  ILE  35          1HG2      ILE  35  16.878  -6.073  12.487
  226   2HG2  ILE  35          2HG2      ILE  35  18.229  -5.381  11.585
  227   3HG2  ILE  35          3HG2      ILE  35  16.639  -5.455  10.859
  228   1HD1  ILE  35          1HD1      ILE  35  19.726  -6.397   9.662
  229   2HD1  ILE  35          2HD1      ILE  35  21.019  -7.405  10.301
  230   3HD1  ILE  35          3HD1      ILE  35  19.810  -8.101   9.228
  231    H    GLY  36           H        GLY  36  15.419  -9.718  13.257
  232   1HA   GLY  36          1HA       GLY  36  17.159 -10.732  15.077
  233   2HA   GLY  36          2HA       GLY  36  17.079  -9.064  15.606
  234    OH   TYR  37           OH       TYR  37  14.725  -5.259  18.727
  235    H    TYR  37           H        TYR  37  14.398 -10.229  14.025
  236    HA   TYR  37           HA       TYR  37  12.954 -11.075  16.422
  237   1HB   TYR  37          1HB       TYR  37  12.069  -8.837  14.598
  238   2HB   TYR  37          2HB       TYR  37  11.231  -9.383  16.043
  239    HD1  TYR  37           HD2      TYR  37  12.923  -9.361  18.268
  240    HD2  TYR  37           HD1      TYR  37  13.500  -7.016  14.772
  241    HE1  TYR  37           HE2      TYR  37  14.014  -7.665  19.563
  242    HE2  TYR  37           HE1      TYR  37  14.268  -5.135  16.088
  243    HH   TYR  37           HH       TYR  37  13.993  -4.838  19.185
  244    H    SER  38           H        SER  38  11.985 -12.932  15.874
  245    HA   SER  38           HA       SER  38  10.451 -13.105  13.379
  246   1HB   SER  38          1HB       SER  38  13.139 -13.776  13.179
  247   2HB   SER  38          2HB       SER  38  12.394 -15.349  13.525
  248    HG   SER  38           HG       SER  38  11.347 -13.499  11.652
  249    H    GLY  39           H        GLY  39  10.422 -15.956  13.209
  250   1HA   GLY  39          1HA       GLY  39   9.679 -17.900  14.414
  251   2HA   GLY  39          2HA       GLY  39   9.570 -16.922  15.877
  252    H    ASP  40           H        ASP  40   7.414 -17.670  16.307
  253    HA   ASP  40           HA       ASP  40   5.217 -17.779  14.586
  254   1HB   ASP  40          1HB       ASP  40   5.366 -16.650  17.431
  255   2HB   ASP  40          2HB       ASP  40   3.852 -17.055  16.622
  256    NH1  ARG  41           NH2      ARG  41   2.475 -12.922  19.847
  257    NH2  ARG  41           NH1      ARG  41   1.834 -10.776  20.303
  258    H    ARG  41           H        ARG  41   4.877 -15.093  16.742
  259    HA   ARG  41           HA       ARG  41   4.131 -13.398  14.507
  260   1HB   ARG  41          1HB       ARG  41   2.879 -13.075  16.585
  261   2HB   ARG  41          2HB       ARG  41   4.347 -13.085  17.553
  262   1HG   ARG  41          1HG       ARG  41   5.039 -10.959  16.549
  263   2HG   ARG  41          2HG       ARG  41   3.600 -10.943  15.547
  264   1HD   ARG  41          1HD       ARG  41   3.939 -10.308  18.410
  265   2HD   ARG  41          2HD       ARG  41   2.798  -9.668  17.243
  266    HE   ARG  41           HE       ARG  41   1.485 -11.777  17.616
  267   1HH1  ARG  41          1HH2      ARG  41   2.712 -13.619  19.170
  268   2HH1  ARG  41          2HH2      ARG  41   2.468 -13.152  20.819
  269   1HH2  ARG  41          1HH1      ARG  41   1.589  -9.867  19.967
  270   2HH2  ARG  41          2HH1      ARG  41   1.823 -10.966  21.284
  271    H    CYS  42           H        CYS  42   6.302 -12.951  17.230
  272    HA   CYS  42           HA       CYS  42   8.715 -12.665  15.766
  273   1HB   CYS  42          1HB       CYS  42   7.681 -10.066  16.881
  274   2HB   CYS  42          2HB       CYS  42   9.130 -10.316  15.939
  275    H    GLN  43           H        GLN  43   7.724 -13.918  18.088
  276    HA   GLN  43           HA       GLN  43   8.545 -12.519  20.478
  277   1HB   GLN  43          1HB       GLN  43   8.437 -14.843  21.501
  278   2HB   GLN  43          2HB       GLN  43   6.982 -14.418  20.620
  279   1HG   GLN  43          1HG       GLN  43   7.776 -15.670  18.656
  280   2HG   GLN  43          2HG       GLN  43   9.264 -16.074  19.498
  281   1HE2  GLN  43          2HE2      GLN  43   5.803 -18.048  20.429
  282   2HE2  GLN  43          1HE2      GLN  43   5.760 -16.668  19.443
  283    H    THR  44           H        THR  44  10.300 -14.378  18.117
  284    HA   THR  44           HA       THR  44  12.480 -15.034  19.884
  285    HB   THR  44           HB       THR  44  13.133 -15.100  17.007
  286    HG1  THR  44           HG1      THR  44  11.373 -16.283  16.437
  287   1HG2  THR  44          2HG2      THR  44  13.994 -16.631  18.960
  288   2HG2  THR  44          3HG2      THR  44  12.402 -17.382  18.911
  289   3HG2  THR  44          1HG2      THR  44  13.462 -17.471  17.507
  290    NH1  ARG  45           NH2      ARG  45  12.228  -9.575  24.031
  291    NH2  ARG  45           NH1      ARG  45  13.183  -7.709  24.937
  292    H    ARG  45           H        ARG  45  13.390 -13.270  20.759
  293    HA   ARG  45           HA       ARG  45  14.528 -11.120  19.032
  294   1HB   ARG  45          1HB       ARG  45  13.144 -10.482  20.976
  295   2HB   ARG  45          2HB       ARG  45  14.127 -11.483  22.044
  296   1HG   ARG  45          1HG       ARG  45  15.992 -10.102  21.838
  297   2HG   ARG  45          2HG       ARG  45  15.416  -9.394  20.342
  298   1HD   ARG  45          1HD       ARG  45  15.113  -7.719  22.035
  299   2HD   ARG  45          2HD       ARG  45  13.518  -8.368  21.687
  300    HE   ARG  45           HE       ARG  45  15.086  -9.477  23.975
  301   1HH1  ARG  45          1HH2      ARG  45  12.307 -10.376  23.438
  302   2HH1  ARG  45          2HH2      ARG  45  11.374  -9.399  24.520
  303   1HH2  ARG  45          1HH1      ARG  45  13.980  -7.111  25.023
  304   2HH2  ARG  45          2HH1      ARG  45  12.345  -7.502  25.440
  305    H    ASP  46           H        ASP  46  16.347 -12.497  18.267
  306    HA   ASP  46           HA       ASP  46  18.167 -13.506  20.412
  307   1HB   ASP  46          1HB       ASP  46  17.349 -14.645  18.021
  308   2HB   ASP  46          2HB       ASP  46  18.962 -14.065  17.632
  309    H    LEU  47           H        LEU  47  20.563 -13.423  19.879
  310    HA   LEU  47           HA       LEU  47  21.424 -10.696  19.921
  311   1HB   LEU  47          1HB       LEU  47  22.950 -13.279  19.384
  312   2HB   LEU  47          2HB       LEU  47  23.731 -11.727  19.660
  313    HG   LEU  47           HG       LEU  47  21.703 -12.532  21.681
  314   1HD1  LEU  47          1HD1      LEU  47  24.266 -14.041  21.164
  315   2HD1  LEU  47          2HD1      LEU  47  23.637 -13.892  22.803
  316   3HD1  LEU  47          3HD1      LEU  47  22.672 -14.682  21.557
  317   1HD2  LEU  47          1HD2      LEU  47  23.299 -10.475  21.637
  318   2HD2  LEU  47          2HD2      LEU  47  23.158 -11.368  23.146
  319   3HD2  LEU  47          3HD2      LEU  47  24.554 -11.620  22.101
  320    NH1  ARG  48           NH1      ARG  48  16.225 -12.518  13.763
  321    NH2  ARG  48           NH2      ARG  48  15.384 -14.070  15.209
  322    H    ARG  48           H        ARG  48  20.285 -10.006  17.908
  323    HA   ARG  48           HA       ARG  48  22.148 -10.154  15.704
  324   1HB   ARG  48          1HB       ARG  48  19.485 -10.201  14.611
  325   2HB   ARG  48          2HB       ARG  48  20.773 -11.364  14.371
  326   1HG   ARG  48          1HG       ARG  48  20.133 -12.419  16.577
  327   2HG   ARG  48          2HG       ARG  48  18.752 -11.333  16.650
  328   1HD   ARG  48          1HD       ARG  48  18.581 -12.368  14.092
  329   2HD   ARG  48          2HD       ARG  48  19.200 -13.744  15.005
  330    HE   ARG  48           HE       ARG  48  17.199 -13.046  16.630
  331   1HH1  ARG  48          1HH1      ARG  48  16.945 -11.863  13.533
  332   2HH1  ARG  48          2HH1      ARG  48  15.449 -12.645  13.145
  333   1HH2  ARG  48          1HH2      ARG  48  15.471 -14.579  16.063
  334   2HH2  ARG  48          2HH2      ARG  48  14.592 -14.219  14.616
  335    CH2  TRP  49           CH2      TRP  49  16.457  -2.295  13.182
  336    H    TRP  49           H        TRP  49  18.967  -8.851  15.682
  337    HA   TRP  49           HA       TRP  49  19.478  -6.493  14.467
  338   1HB   TRP  49          1HB       TRP  49  17.162  -6.912  14.932
  339   2HB   TRP  49          2HB       TRP  49  17.488  -7.112  16.643
  340    HD1  TRP  49           HD1      TRP  49  16.831  -4.825  18.059
  341    HE1  TRP  49           HE1      TRP  49  15.251  -3.189  17.078
  342    HE3  TRP  49           HE3      TRP  49  18.748  -4.676  13.695
  343    HZ2  TRP  49           HZ2      TRP  49  14.898  -1.891  14.572
  344    HZ3  TRP  49           HZ3      TRP  49  18.008  -3.088  11.945
  345    HH2  TRP  49           HH2      TRP  49  16.172  -1.529  12.479
  346    CH2  TRP  50           CH2      TRP  50  19.948  -9.937  21.891
  347    H    TRP  50           H        TRP  50  18.557  -6.254  17.648
  348    HA   TRP  50           HA       TRP  50  19.665  -3.853  18.199
  349   1HB   TRP  50          1HB       TRP  50  19.661  -4.943  20.707
  350   2HB   TRP  50          2HB       TRP  50  18.176  -4.506  19.889
  351    HD1  TRP  50           HD1      TRP  50  16.690  -6.618  18.778
  352    HE1  TRP  50           HE1      TRP  50  16.795  -9.038  19.317
  353    HE3  TRP  50           HE3      TRP  50  20.888  -6.716  21.535
  354    HZ2  TRP  50           HZ2      TRP  50  18.258 -10.827  20.932
  355    HZ3  TRP  50           HZ3      TRP  50  21.556  -8.782  22.696
  356    HH2  TRP  50           HH2      TRP  50  20.242 -10.845  22.396
  357    H    GLU  51           H        GLU  51  21.617  -3.232  18.163
  358    HA   GLU  51           HA       GLU  51  23.726  -4.649  19.552
  359   1HB   GLU  51          1HB       GLU  51  23.791  -3.979  16.587
  360   2HB   GLU  51          2HB       GLU  51  25.248  -4.359  17.499
  361   1HG   GLU  51          1HG       GLU  51  24.137  -6.532  18.188
  362   2HG   GLU  51          2HG       GLU  51  22.854  -6.155  17.045
  363    H    LEU  52           H        LEU  52  23.770  -2.098  17.121
  364    HA   LEU  52           HA       LEU  52  25.562  -0.350  18.050
  365   1HB   LEU  52          1HB       LEU  52  22.806   0.742  17.430
  366   2HB   LEU  52          2HB       LEU  52  24.366   1.393  16.947
  367    HG   LEU  52           HG       LEU  52  23.040  -1.125  15.885
  368   1HD1  LEU  52          2HD1      LEU  52  22.706   1.509  15.153
  369   2HD1  LEU  52          3HD1      LEU  52  23.997   0.993  14.071
  370   3HD1  LEU  52          1HD1      LEU  52  22.460   0.132  14.080
  371   1HD2  LEU  52          1HD2      LEU  52  25.834  -0.007  15.557
  372   2HD2  LEU  52          2HD2      LEU  52  25.362  -1.652  15.976
  373   3HD2  LEU  52          3HD2      LEU  52  25.113  -1.056  14.338
  374    NH1  ARG  53           NH2      ARG  53  27.467   3.167  24.961
  375    NH2  ARG  53           NH1      ARG  53  25.746   1.930  25.813
  376    H    ARG  53           H        ARG  53  26.035   0.355  20.034
  377    HA   ARG  53           HA       ARG  53  25.778   1.086  22.240
  378   1HB   ARG  53          1HB       ARG  53  23.597   2.466  20.666
  379   2HB   ARG  53          2HB       ARG  53  23.630   2.684  22.404
  380   1HG   ARG  53          1HG       ARG  53  25.973   3.207  20.539
  381   2HG   ARG  53          2HG       ARG  53  24.903   4.451  21.163
  382   1HD   ARG  53          1HD       ARG  53  27.175   3.139  22.461
  383   2HD   ARG  53          2HD       ARG  53  26.363   4.638  22.888
  384    HE   ARG  53           HE       ARG  53  24.619   2.659  23.763
  385   1HH1  ARG  53          1HH2      ARG  53  27.829   3.735  24.222
  386   2HH1  ARG  53                 ARG  53  28.025   2.985  25.770
  387   1HH2  ARG  53          1HH1      ARG  53  24.819   1.570  25.713
  388   2HH2  ARG  53          2HH1      ARG  53  26.277   1.725  26.637
   
   
  No H/Q in entry =         388