*HEADER   NEUROTOXIN                              13-MAR-97   1VTX    
*TITLE    DELTA-ATRACOTOXIN-HV1 (VERSUTOXIN) FROM HADRONYCHE VERSUTA, 
*TITLE   2 NMR, 20 STRUCTURES                                         
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: DELTA-ATRACOTOXIN-HV1;                           
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: VERSUTOXIN                                        
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: HADRONYCHE VERSUTA;                   
*SOURCE  3 ORGANISM_COMMON: BLUE MOUNTAINS FUNNEL WEB SPIDER;         
*SOURCE  4 SECRETION: VENOM                                           
*KEYWDS   NEUROTOXIN, SODIUM CHANNEL TOXIN, CYSTEINE KNOT, VENOM      
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   J.I.FLETCHER,B.E.CHAPMAN,G.F.KING                           
*REVDAT  1   28-JAN-98 1VTX    0                                      


!! Dihedral-angle restraints:  X-PLOR 3.1 refinement of delta-atracotoxin-HV1

!! PHI RESTRAINTS
!!  2 ala
 assign (resid   1 and name c )   (resid   2 and name n )
        (resid   2 and name ca)   (resid   2 and name c )  1.0 -100.0 80.0 2
!!  3 lys
 assign (resid   2 and name c )   (resid   3 and name n )
        (resid   3 and name ca)   (resid   3 and name c )  1.0 -120.0 15.0 2
!!  4 lys
 assign (resid   3 and name c )   (resid   4 and name n )
        (resid   4 and name ca)   (resid   4 and name c )  1.0 -65.0 15.0 2
!!  5 arg
 assign (resid   4 and name c )   (resid   5 and name n )
        (resid   5 and name ca)   (resid   5 and name c )  1.0 50.0 40.0 2
!!  6 asn
 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 30.0 2
!!  7 trp
 assign (resid   6 and name c )   (resid   7 and name n )
        (resid   7 and name ca)   (resid   7 and name c )  1.0 -100.0 80.0 2
!!  8 cys
 assign (resid   7 and name c )   (resid   8 and name n )
        (resid   8 and name ca)   (resid   8 and name c )  1.0 -100.0 80.0 2
!!  15 cys
 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 30.0 2
!!  16 cys
 assign (resid   15 and name c )   (resid   16 and name n )
        (resid   16 and name ca)   (resid   16 and name c )  1.0 -35.0 15.0 2
!!  18 met
 assign (resid   17 and name c )   (resid   18 and name n )
        (resid   18 and name ca)   (resid   18 and name c )  1.0 -100.0 80.0 2
!!  19 lys
 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 30.0 2
!!  21 val
 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 15.0 2
!!  22 tyr
 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 30.0 2
!!  23 ala
 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 30.0 2
!!  24 trp
 assign (resid   23 and name c )   (resid   24 and name n )
        (resid   24 and name ca)   (resid   24 and name c )  1.0 -100.0 80.0 2
!!  25 tyr
 assign (resid   24 and name c )   (resid   25 and name n )
        (resid   25 and name ca)   (resid   25 and name c )  1.0 -100.0 80.0 2
!!  26 asn
 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 30.0 2
!!  30 ser
 assign (resid   29 and name c )   (resid   30 and name n )
        (resid   30 and name ca)   (resid   30 and name c )  1.0 -100.0 80.0 2
!!  31 cys
 assign (resid   30 and name c )   (resid   31 and name n )
        (resid   31 and name ca)   (resid   31 and name c )  1.0 -100.0 80.0 2
!!  32 gln
 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 30.0 2
!!  33 ser
 assign (resid   32 and name c )   (resid   33 and name n )
        (resid   33 and name ca)   (resid   33 and name c )  1.0 -100.0 80.0 2
!!  34 thr
 assign (resid   33 and name c )   (resid   34 and name n )
        (resid   34 and name ca)   (resid   34 and name c )  1.0 -120.0 30.0 2
!!  35 ile
 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 15.0 2
!!  36 ser
 assign (resid   35 and name c )   (resid   36 and name n )
        (resid   36 and name ca)   (resid   36 and name c )  1.0 -65.0 15.0 2
!!  37 ala
 assign (resid   36 and name c )   (resid   37 and name n )
        (resid   37 and name ca)   (resid   37 and name c )  1.0 -65.0 15.0 2
!!  38 leu
 assign (resid   37 and name c )   (resid   38 and name n )
        (resid   38 and name ca)   (resid   38 and name c )  1.0 -65.0 15.0 2
!!  39 trp
 assign (resid   38 and name c )   (resid   39 and name n )
        (resid   39 and name ca)   (resid   39 and name c )  1.0 -100.0 80.0 2
!!  40 lys
 assign (resid   39 and name c )   (resid   40 and name n )
        (resid   40 and name ca)   (resid   40 and name c )  1.0 -100.0 80.0 2
!!  41 lys
 assign (resid   40 and name c )   (resid   41 and name n )
        (resid   41 and name ca)   (resid   41 and name c )  1.0 -100.0 80.0 2
!!  42 cys
 assign (resid   41 and name c )   (resid   42 and name n )
        (resid   42 and name ca)   (resid   42 and name c )  1.0 -100.0 80.0 2
!!
!! CHI-1 RESTRAINTS
!!   1 cys
 assign (resid 1 and name n)    (resid 1 and name ca)
        (resid 1 and name cb)   (resid 1 and name sg) 1.0 -180.0 20.0 2
!!   3 lys
 assign (resid 3 and name n)    (resid 3 and name ca)
        (resid 3 and name cb)   (resid 3 and name cg) 1.0 -60.0 20.0 2
!!   4 lys
 assign (resid 4 and name n)    (resid 4 and name ca)
        (resid 4 and name cb)   (resid 4 and name cg) 1.0 -60.0 20.0 2
!!   5 arg
 assign (resid 5 and name n)    (resid 5 and name ca)
        (resid 5 and name cb)   (resid 5 and name cg) 1.0 -60.0 20.0 2
!!   6 asn
 assign (resid 6 and name n)    (resid 6 and name ca)
        (resid 6 and name cb)   (resid 6 and name cg) 1.0 -60.0 20.0 2
!!   15 cys
 assign (resid 15 and name n)    (resid 15 and name ca)
        (resid 15 and name cb)   (resid 15 and name sg) 1.0 -60.0 20.0 2
!!   16 cys
 assign (resid 16 and name n)    (resid 16 and name ca)
        (resid 16 and name cb)   (resid 16 and name sg) 1.0 60.0 20.0 2
!!   18 met
 assign (resid 18 and name n)    (resid 18 and name ca)
        (resid 18 and name cb)   (resid 18 and name cg) 1.0 -60.0 20.0 2
!!   21 val
 assign (resid 21 and name n)    (resid 21 and name ca)
        (resid 21 and name cb)   (resid 21 and name cg1) 1.0 -180.0 20.0 2
!!   22 tyr
 assign (resid 22 and name n)    (resid 22 and name ca)
        (resid 22 and name cb)   (resid 22 and name cg) 1.0 -180.0 20.0 2
!!   27 glu
 assign (resid 27 and name n)    (resid 27 and name ca)
        (resid 27 and name cb)   (resid 27 and name cg) 1.0 -180.0 20.0 2
!!   30 ser
 assign (resid 30 and name n)    (resid 30 and name ca)
        (resid 30 and name cb)   (resid 30 and name og) 1.0 60.0 20.0 2
!!   31 cys
 assign (resid 31 and name n)    (resid 31 and name ca)
        (resid 31 and name cb)   (resid 31 and name sg) 1.0 -60.0 20.0 2
!!   32 gln
 assign (resid 32 and name n)    (resid 32 and name ca)
        (resid 32 and name cb)   (resid 32 and name cg) 1.0 -60.0 20.0 2
!!   33 ser
 assign (resid 33 and name n)    (resid 33 and name ca)
        (resid 33 and name cb)   (resid 33 and name og) 1.0 60.0 20.0 2
!!   34 thr
 assign (resid 34 and name n)    (resid 34 and name ca)
        (resid 34 and name cb)   (resid 34 and name og1) 1.0 60.0 20.0 2
!!   35 ile
 assign (resid 35 and name n)    (resid 35 and name ca)
        (resid 35 and name cb)   (resid 35 and name cg1) 1.0 -60.0 20.0 2
!!   36 ser
 assign (resid 36 and name n)    (resid 36 and name ca)
        (resid 36 and name cb)   (resid 36 and name og) 1.0 60.0 20.0 2
!!   38 leu
 assign (resid 38 and name n)    (resid 38 and name ca)
        (resid 38 and name cb)   (resid 38 and name cg) 1.0 -65.0 15.0 2
!!   42 cys
 assign (resid 42 and name n)    (resid 42 and name ca)
        (resid 42 and name cb)   (resid 42 and name sg) 1.0 -180.0 20.0 2


===============================================================================

! Interproton distance restraints used for X-PLOR 3.1 refinement of
! delta-atracotoxin-HV1 (versutoxin) from Hadronyche versuta

! range |i-j| =     0
assign (resid   3 and name HN    )(resid   3 and name HB2   )  0.00  0.00  3.50
assign (resid   3 and name HN    )(resid   3 and name HG*   )  0.00  0.00  4.50
assign (resid   3 and name HN    )(resid   3 and name HD*   )  0.00  0.00  6.00
assign (resid   3 and name HA    )(resid   3 and name HD*   )  0.00  0.00  6.00
assign (resid   3 and name HB2   )(resid   3 and name HE*   )  0.00  0.00  4.50
assign (resid   4 and name HN    )(resid   4 and name HG*   )  0.00  0.00  3.80
assign (resid   4 and name HN    )(resid   4 and name HD*   )  0.00  0.00  6.00
assign (resid   4 and name HA    )(resid   4 and name HD*   )  0.00  0.00  4.50
assign (resid   5 and name HN    )(resid   5 and name HA    )  0.00  0.00  2.80
assign (resid   5 and name HA    )(resid   5 and name HD*   )  0.00  0.00  6.00
assign (resid   6 and name HN    )(resid   6 and name HB2   )  0.00  0.00  2.80
assign (resid   6 and name HN    )(resid   6 and name HB1   )  0.00  0.00  3.50
assign (resid   6 and name HN    )(resid   6 and name HD21  )  0.00  0.00  5.00
assign (resid   6 and name HN    )(resid   6 and name HD22  )  0.00  0.00  5.00
assign (resid   7 and name HN    )(resid   7 and name HB2   )  0.00  0.00  3.50
assign (resid   7 and name HN    )(resid   7 and name HB1   )  0.00  0.00  3.50
assign (resid   7 and name HA    )(resid   7 and name HD1   )  0.00  0.00  3.50
assign (resid   7 and name HA    )(resid   7 and name HE3   )  0.00  0.00  5.00
assign (resid   7 and name HA    )(resid   7 and name HE1   )  0.00  0.00  5.00
assign (resid  16 and name HN    )(resid  16 and name HB*   )  0.00  0.00  3.80
assign (resid  18 and name HN    )(resid  18 and name HB2   )  0.00  0.00  3.50
assign (resid  18 and name HN    )(resid  18 and name HB1   )  0.00  0.00  3.50
assign (resid  18 and name HN    )(resid  18 and name HE*   )  0.00  0.00  5.00
assign (resid  18 and name HA    )(resid  18 and name HG2   )  0.00  0.00  3.50
assign (resid  21 and name HN    )(resid  21 and name HB    )  0.00  0.00  2.80
assign (resid  22 and name HN    )(resid  22 and name HB2   )  0.00  0.00  3.50
assign (resid  22 and name HN    )(resid  22 and name HB1   )  0.00  0.00  3.50
assign (resid  22 and name HN    )(resid  22 and name CZ    )  0.00  0.00  7.00
assign (resid  22 and name HA    )(resid  22 and name CZ    )  0.00  0.00  5.50
assign (resid  23 and name HN    )(resid  23 and name HB*   )  0.00  0.00  3.30
assign (resid  24 and name HN    )(resid  24 and name HB*   )  0.00  0.00  3.80
assign (resid  24 and name HN    )(resid  24 and name HD1   )  0.00  0.00  3.50
assign (resid  24 and name HA    )(resid  24 and name HD1   )  0.00  0.00  5.00
assign (resid  24 and name HA    )(resid  24 and name HE3   )  0.00  0.00  5.00
assign (resid  25 and name HN    )(resid  25 and name HA    )  0.00  0.00  2.80
assign (resid  25 and name HN    )(resid  25 and name HB2   )  0.00  0.00  3.50
assign (resid  25 and name HN    )(resid  25 and name HB1   )  0.00  0.00  3.50
assign (resid  27 and name HN    )(resid  27 and name HB2   )  0.00  0.00  3.50
assign (resid  27 and name HN    )(resid  27 and name HB1   )  0.00  0.00  3.50
assign (resid  27 and name HN    )(resid  27 and name HG*   )  0.00  0.00  4.50
assign (resid  28 and name HN    )(resid  28 and name HB2   )  0.00  0.00  3.50
assign (resid  28 and name HN    )(resid  28 and name HB1   )  0.00  0.00  3.50
assign (resid  28 and name HN    )(resid  28 and name HG2   )  0.00  0.00  3.50
assign (resid  28 and name HN    )(resid  28 and name HG1   )  0.00  0.00  3.50
assign (resid  29 and name HN    )(resid  29 and name HA2   )  0.00  0.00  2.80
assign (resid  29 and name HN    )(resid  29 and name HA1   )  0.00  0.00  2.80
assign (resid  30 and name HA    )(resid  30 and name HB2   )  0.00  0.00  2.80
assign (resid  30 and name HA    )(resid  30 and name HB1   )  0.00  0.00  2.80
assign (resid  31 and name HN    )(resid  31 and name HB2   )  0.00  0.00  3.50
assign (resid  31 and name HN    )(resid  31 and name HB1   )  0.00  0.00  3.50
assign (resid  32 and name HN    )(resid  32 and name HB2   )  0.00  0.00  3.50
assign (resid  32 and name HB2   )(resid  32 and name HE21  )  0.00  0.00  5.00
assign (resid  32 and name HB2   )(resid  32 and name HE22  )  0.00  0.00  5.00
assign (resid  32 and name HB1   )(resid  32 and name HE21  )  0.00  0.00  5.00
assign (resid  32 and name HB1   )(resid  32 and name HE22  )  0.00  0.00  5.00
assign (resid  33 and name HN    )(resid  33 and name HB2   )  0.00  0.00  3.50
assign (resid  33 and name HN    )(resid  33 and name HB1   )  0.00  0.00  3.50
assign (resid  34 and name HN    )(resid  34 and name HA    )  0.00  0.00  2.80
assign (resid  35 and name HN    )(resid  35 and name HA    )  0.00  0.00  2.80
assign (resid  35 and name HN    )(resid  35 and name HB    )  0.00  0.00  2.80
assign (resid  35 and name HN    )(resid  35 and name HG12  )  0.00  0.00  3.50
assign (resid  35 and name HN    )(resid  35 and name HG11  )  0.00  0.00  3.50
assign (resid  35 and name HN    )(resid  35 and name HD*   )  0.00  0.00  6.50
assign (resid  36 and name HN    )(resid  36 and name HB2   )  0.00  0.00  3.50
assign (resid  36 and name HN    )(resid  36 and name HB1   )  0.00  0.00  3.50
assign (resid  37 and name HN    )(resid  37 and name HA    )  0.00  0.00  2.80
assign (resid  38 and name HN    )(resid  38 and name HA    )  0.00  0.00  2.80
assign (resid  38 and name HN    )(resid  38 and name HB2   )  0.00  0.00  2.80
assign (resid  38 and name HN    )(resid  38 and name HB1   )  0.00  0.00  3.50
assign (resid  38 and name HN    )(resid  38 and name HD1*  )  0.00  0.00  5.00
assign (resid  38 and name HN    )(resid  38 and name HD2*  )  0.00  0.00  5.00
assign (resid  38 and name HA    )(resid  38 and name HD1*  )  0.00  0.00  5.00
assign (resid  38 and name HA    )(resid  38 and name HD2*  )  0.00  0.00  4.30
assign (resid  39 and name HN    )(resid  39 and name HA    )  0.00  0.00  2.80
assign (resid  39 and name HN    )(resid  39 and name HB2   )  0.00  0.00  3.50
assign (resid  39 and name HN    )(resid  39 and name HB1   )  0.00  0.00  3.50
assign (resid  39 and name HA    )(resid  39 and name HD1   )  0.00  0.00  5.00
assign (resid  39 and name HB2   )(resid  39 and name HD1   )  0.00  0.00  3.50
assign (resid  39 and name HB1   )(resid  39 and name HD1   )  0.00  0.00  3.50
assign (resid  40 and name HN    )(resid  40 and name HG*   )  0.00  0.00  4.50
assign (resid  40 and name HN    )(resid  40 and name HD*   )  0.00  0.00  6.00
assign (resid  40 and name HA    )(resid  40 and name HD*   )  0.00  0.00  6.00
assign (resid  40 and name HB*   )(resid  40 and name HE*   )  0.00  0.00  6.00
assign (resid  41 and name HN    )(resid  41 and name HA    )  0.00  0.00  2.80
assign (resid  41 and name HN    )(resid  41 and name HB2   )  0.00  0.00  3.50
assign (resid  41 and name HN    )(resid  41 and name HB1   )  0.00  0.00  3.50
assign (resid  41 and name HN    )(resid  41 and name HG*   )  0.00  0.00  4.50
assign (resid  41 and name HN    )(resid  41 and name HE*   )  0.00  0.00  6.00
assign (resid  41 and name HA    )(resid  41 and name HD*   )  0.00  0.00  6.00
assign (resid  41 and name HB*   )(resid  41 and name HE*   )  0.00  0.00  6.00
assign (resid  42 and name HN    )(resid  42 and name HA    )  0.00  0.00  2.80
assign (resid  42 and name HN    )(resid  42 and name HB2   )  0.00  0.00  2.80
assign (resid  42 and name HN    )(resid  42 and name HB1   )  0.00  0.00  3.50
! total in this range:     93
! range |i-j| =     1
assign (resid   1 and name HA    )(resid   2 and name HN    )  0.00  0.00  2.80
assign (resid   1 and name HA    )(resid   2 and name HB*   )  0.00  0.00  6.50
assign (resid   1 and name HB2   )(resid   2 and name HN    )  0.00  0.00  5.00
assign (resid   1 and name HB1   )(resid   2 and name HN    )  0.00  0.00  3.50
assign (resid   2 and name HN    )(resid   3 and name HN    )  0.00  0.00  5.00
assign (resid   2 and name HA    )(resid   3 and name HN    )  0.00  0.00  2.80
assign (resid   3 and name HN    )(resid   4 and name HN    )  0.00  0.00  5.00
assign (resid   3 and name HB1   )(resid   4 and name HN    )  0.00  0.00  2.80
assign (resid   3 and name HD*   )(resid   4 and name HN    )  0.00  0.00  6.00
assign (resid   4 and name HN    )(resid   5 and name HN    )  0.00  0.00  5.00
assign (resid   4 and name HB2   )(resid   5 and name HN    )  0.00  0.00  5.00
assign (resid   4 and name HB1   )(resid   5 and name HN    )  0.00  0.00  5.00
assign (resid   4 and name HG*   )(resid   5 and name HN    )  0.00  0.00  6.00
assign (resid   4 and name HG*   )(resid   5 and name HD*   )  0.00  0.00  6.00
assign (resid   5 and name HN    )(resid   6 and name HN    )  0.00  0.00  5.00
assign (resid   5 and name HA    )(resid   6 and name HN    )  0.00  0.00  3.50
assign (resid   5 and name HB2   )(resid   6 and name HN    )  0.00  0.00  5.00
assign (resid   5 and name HB1   )(resid   6 and name HN    )  0.00  0.00  5.00
assign (resid   6 and name HB2   )(resid   7 and name HN    )  0.00  0.00  5.00
assign (resid   6 and name HB1   )(resid   7 and name HN    )  0.00  0.00  3.50
assign (resid   7 and name HA    )(resid   8 and name HN    )  0.00  0.00  3.50
assign (resid   7 and name HB2   )(resid   8 and name HN    )  0.00  0.00  5.00
assign (resid   7 and name HB1   )(resid   8 and name HN    )  0.00  0.00  5.00
assign (resid  14 and name HB*   )(resid  15 and name HN    )  0.00  0.00  6.00
assign (resid  15 and name HA    )(resid  16 and name HN    )  0.00  0.00  2.80
assign (resid  15 and name HA    )(resid  16 and name HB*   )  0.00  0.00  6.00
assign (resid  15 and name HB2   )(resid  16 and name HN    )  0.00  0.00  5.00
assign (resid  15 and name HB1   )(resid  16 and name HN    )  0.00  0.00  5.00
assign (resid  16 and name HN    )(resid  17 and name HA    )  0.00  0.00  5.00
assign (resid  16 and name HA    )(resid  17 and name HA    )  0.00  0.00  2.80
assign (resid  16 and name HA    )(resid  17 and name HB2   )  0.00  0.00  5.00
assign (resid  16 and name HA    )(resid  17 and name HB1   )  0.00  0.00  5.00
assign (resid  16 and name HB*   )(resid  17 and name HA    )  0.00  0.00  6.00
assign (resid  17 and name HA    )(resid  18 and name HN    )  0.00  0.00  3.50
assign (resid  17 and name HB2   )(resid  18 and name HA    )  0.00  0.00  5.00
assign (resid  17 and name HG2   )(resid  18 and name HN    )  0.00  0.00  5.00
assign (resid  17 and name HG1   )(resid  18 and name HN    )  0.00  0.00  5.00
assign (resid  17 and name HD2   )(resid  18 and name HN    )  0.00  0.00  3.50
assign (resid  17 and name HD2   )(resid  18 and name HA    )  0.00  0.00  5.00
assign (resid  17 and name HD2   )(resid  18 and name HB2   )  0.00  0.00  5.00
assign (resid  17 and name HD2   )(resid  18 and name HG1   )  0.00  0.00  5.00
assign (resid  17 and name HD1   )(resid  18 and name HN    )  0.00  0.00  5.00
assign (resid  17 and name HD1   )(resid  18 and name HG1   )  0.00  0.00  5.00
assign (resid  18 and name HN    )(resid  19 and name HN    )  0.00  0.00  5.00
assign (resid  18 and name HA    )(resid  19 and name HN    )  0.00  0.00  3.50
assign (resid  18 and name HA    )(resid  19 and name HB*   )  0.00  0.00  6.00
assign (resid  18 and name HB2   )(resid  19 and name HN    )  0.00  0.00  5.00
assign (resid  18 and name HB1   )(resid  19 and name HN    )  0.00  0.00  3.50
assign (resid  18 and name HG2   )(resid  19 and name HN    )  0.00  0.00  5.00
assign (resid  21 and name HN    )(resid  22 and name HN    )  0.00  0.00  5.00
assign (resid  21 and name HA    )(resid  22 and name HN    )  0.00  0.00  2.80
assign (resid  21 and name HA    )(resid  22 and name HB2   )  0.00  0.00  5.00
assign (resid  21 and name HA    )(resid  22 and name HB1   )  0.00  0.00  5.00
assign (resid  21 and name HA    )(resid  22 and name CG    )  0.00  0.00  7.00
assign (resid  21 and name HB    )(resid  22 and name HN    )  0.00  0.00  5.00
assign (resid  21 and name HG*   )(resid  22 and name HN    )  0.00  0.00  5.70
assign (resid  21 and name HG*   )(resid  22 and name HA    )  0.00  0.00  7.90
assign (resid  21 and name HG*   )(resid  22 and name HB2   )  0.00  0.00  7.90
assign (resid  21 and name HG*   )(resid  22 and name HB1   )  0.00  0.00  7.90
assign (resid  21 and name HG*   )(resid  22 and name CG    )  0.00  0.00  9.40
assign (resid  22 and name HN    )(resid  23 and name HN    )  0.00  0.00  5.00
assign (resid  22 and name HN    )(resid  23 and name HA    )  0.00  0.00  5.00
assign (resid  22 and name HN    )(resid  23 and name HB*   )  0.00  0.00  6.50
assign (resid  22 and name HA    )(resid  23 and name HN    )  0.00  0.00  2.80
assign (resid  22 and name HA    )(resid  23 and name HB*   )  0.00  0.00  6.50
assign (resid  22 and name HB2   )(resid  23 and name HN    )  0.00  0.00  5.00
assign (resid  22 and name HB1   )(resid  23 and name HN    )  0.00  0.00  5.00
assign (resid  22 and name HB1   )(resid  23 and name HB*   )  0.00  0.00  6.50
assign (resid  22 and name CG    )(resid  23 and name HN    )  0.00  0.00  7.00
assign (resid  22 and name CG    )(resid  23 and name HB*   )  0.00  0.00  8.50
assign (resid  22 and name CZ    )(resid  23 and name HB*   )  0.00  0.00  8.50
assign (resid  23 and name HN    )(resid  24 and name HN    )  0.00  0.00  3.50
assign (resid  23 and name HA    )(resid  24 and name HN    )  0.00  0.00  3.50
assign (resid  23 and name HA    )(resid  24 and name HB*   )  0.00  0.00  6.00
assign (resid  23 and name HA    )(resid  24 and name HD1   )  0.00  0.00  5.00
assign (resid  23 and name HB*   )(resid  24 and name HN    )  0.00  0.00  3.30
assign (resid  23 and name HB*   )(resid  24 and name HB*   )  0.00  0.00  6.00
assign (resid  23 and name HB*   )(resid  24 and name HD1   )  0.00  0.00  5.00
assign (resid  23 and name HB*   )(resid  24 and name HE3   )  0.00  0.00  6.50
assign (resid  23 and name HB*   )(resid  24 and name HE1   )  0.00  0.00  6.50
assign (resid  24 and name HN    )(resid  25 and name HN    )  0.00  0.00  3.50
assign (resid  24 and name HN    )(resid  25 and name CG    )  0.00  0.00  7.00
assign (resid  24 and name HN    )(resid  25 and name CZ    )  0.00  0.00  7.00
assign (resid  24 and name HA    )(resid  25 and name HN    )  0.00  0.00  3.50
assign (resid  24 and name HB*   )(resid  25 and name HN    )  0.00  0.00  4.50
assign (resid  24 and name HB*   )(resid  25 and name HA    )  0.00  0.00  6.00
assign (resid  24 and name HB*   )(resid  25 and name CG    )  0.00  0.00  8.00
assign (resid  24 and name HB*   )(resid  25 and name CZ    )  0.00  0.00  8.00
assign (resid  24 and name HE3   )(resid  25 and name HA    )  0.00  0.00  5.00
assign (resid  24 and name HE3   )(resid  25 and name HB2   )  0.00  0.00  5.00
assign (resid  24 and name HE3   )(resid  25 and name HB1   )  0.00  0.00  5.00
assign (resid  24 and name HE1   )(resid  25 and name CG    )  0.00  0.00  7.00
assign (resid  24 and name HE1   )(resid  25 and name CZ    )  0.00  0.00  7.00
assign (resid  25 and name HA    )(resid  26 and name HN    )  0.00  0.00  3.50
assign (resid  25 and name HB2   )(resid  26 and name HN    )  0.00  0.00  5.00
assign (resid  25 and name HB2   )(resid  26 and name HD2*  )  0.00  0.00  6.00
assign (resid  25 and name HB1   )(resid  26 and name HN    )  0.00  0.00  5.00
assign (resid  25 and name HB1   )(resid  26 and name HD2*  )  0.00  0.00  6.00
assign (resid  25 and name CG    )(resid  26 and name HN    )  0.00  0.00  7.00
assign (resid  25 and name CG    )(resid  26 and name HA    )  0.00  0.00  7.00
assign (resid  25 and name CG    )(resid  26 and name HB*   )  0.00  0.00  8.00
assign (resid  25 and name CZ    )(resid  26 and name HA    )  0.00  0.00  7.00
assign (resid  25 and name CZ    )(resid  26 and name HB*   )  0.00  0.00  8.00
assign (resid  26 and name HN    )(resid  27 and name HN    )  0.00  0.00  3.50
assign (resid  26 and name HA    )(resid  27 and name HN    )  0.00  0.00  2.80
assign (resid  26 and name HB*   )(resid  27 and name HN    )  0.00  0.00  4.50
assign (resid  27 and name HN    )(resid  28 and name HN    )  0.00  0.00  3.50
assign (resid  27 and name HA    )(resid  28 and name HN    )  0.00  0.00  3.50
assign (resid  27 and name HB1   )(resid  28 and name HN    )  0.00  0.00  5.00
assign (resid  27 and name HG*   )(resid  28 and name HN    )  0.00  0.00  6.00
assign (resid  28 and name HN    )(resid  29 and name HN    )  0.00  0.00  5.00
assign (resid  28 and name HA    )(resid  29 and name HN    )  0.00  0.00  3.50
assign (resid  28 and name HG2   )(resid  29 and name HN    )  0.00  0.00  5.00
assign (resid  28 and name HG1   )(resid  29 and name HN    )  0.00  0.00  5.00
assign (resid  29 and name HN    )(resid  30 and name HN    )  0.00  0.00  5.00
assign (resid  29 and name HA2   )(resid  30 and name HN    )  0.00  0.00  2.80
assign (resid  29 and name HA1   )(resid  30 and name HN    )  0.00  0.00  2.80
assign (resid  30 and name HA    )(resid  31 and name HN    )  0.00  0.00  2.80
assign (resid  30 and name HB2   )(resid  31 and name HN    )  0.00  0.00  3.50
assign (resid  30 and name HB1   )(resid  31 and name HN    )  0.00  0.00  3.50
assign (resid  31 and name HN    )(resid  32 and name HN    )  0.00  0.00  5.00
assign (resid  31 and name HA    )(resid  32 and name HN    )  0.00  0.00  3.50
assign (resid  31 and name HA    )(resid  32 and name HB2   )  0.00  0.00  5.00
assign (resid  31 and name HB2   )(resid  32 and name HN    )  0.00  0.00  5.00
assign (resid  31 and name HB1   )(resid  32 and name HN    )  0.00  0.00  5.00
assign (resid  32 and name HA    )(resid  33 and name HN    )  0.00  0.00  3.50
assign (resid  32 and name HB2   )(resid  33 and name HN    )  0.00  0.00  5.00
assign (resid  32 and name HB1   )(resid  33 and name HN    )  0.00  0.00  3.50
assign (resid  32 and name HG*   )(resid  33 and name HN    )  0.00  0.00  4.50
assign (resid  33 and name HN    )(resid  34 and name HG2*  )  0.00  0.00  6.50
assign (resid  33 and name HB*   )(resid  34 and name HN    )  0.00  0.00  4.50
assign (resid  34 and name HA    )(resid  35 and name HG2*  )  0.00  0.00  6.50
assign (resid  34 and name HA    )(resid  35 and name HD*   )  0.00  0.00  6.50
assign (resid  34 and name HB    )(resid  35 and name HN    )  0.00  0.00  2.80
assign (resid  34 and name HG2*  )(resid  35 and name HN    )  0.00  0.00  5.00
assign (resid  35 and name HN    )(resid  36 and name HN    )  0.00  0.00  3.50
assign (resid  35 and name HB    )(resid  36 and name HN    )  0.00  0.00  3.50
assign (resid  35 and name HG2*  )(resid  36 and name HN    )  0.00  0.00  5.00
assign (resid  35 and name HG2*  )(resid  36 and name HA    )  0.00  0.00  6.50
assign (resid  35 and name HG1*  )(resid  36 and name HN    )  0.00  0.00  6.00
assign (resid  35 and name HD*   )(resid  36 and name HN    )  0.00  0.00  6.50
assign (resid  36 and name HN    )(resid  37 and name HN    )  0.00  0.00  3.50
assign (resid  36 and name HA    )(resid  37 and name HN    )  0.00  0.00  3.50
assign (resid  36 and name HA    )(resid  37 and name HB*   )  0.00  0.00  6.50
assign (resid  36 and name HB2   )(resid  37 and name HN    )  0.00  0.00  5.00
assign (resid  36 and name HB1   )(resid  37 and name HN    )  0.00  0.00  5.00
assign (resid  36 and name HB*   )(resid  37 and name HB*   )  0.00  0.00  7.50
assign (resid  37 and name HN    )(resid  38 and name HN    )  0.00  0.00  2.80
assign (resid  37 and name HN    )(resid  38 and name HG    )  0.00  0.00  5.00
assign (resid  37 and name HA    )(resid  38 and name HN    )  0.00  0.00  3.50
assign (resid  38 and name HN    )(resid  39 and name HN    )  0.00  0.00  3.50
assign (resid  38 and name HA    )(resid  39 and name HN    )  0.00  0.00  3.50
assign (resid  38 and name HA    )(resid  39 and name HE3   )  0.00  0.00  5.00
assign (resid  38 and name HB2   )(resid  39 and name HN    )  0.00  0.00  3.50
assign (resid  38 and name HB2   )(resid  39 and name HE3   )  0.00  0.00  5.00
assign (resid  38 and name HB2   )(resid  39 and name HH2   )  0.00  0.00  5.00
assign (resid  38 and name HB1   )(resid  39 and name HN    )  0.00  0.00  5.00
assign (resid  38 and name HB1   )(resid  39 and name HE3   )  0.00  0.00  5.00
assign (resid  38 and name HB1   )(resid  39 and name HH2   )  0.00  0.00  5.00
assign (resid  38 and name HG    )(resid  39 and name HZ3   )  0.00  0.00  5.00
assign (resid  38 and name HD1*  )(resid  39 and name HN    )  0.00  0.00  6.50
assign (resid  38 and name HD1*  )(resid  39 and name HE3   )  0.00  0.00  6.50
assign (resid  38 and name HD1*  )(resid  39 and name HZ3   )  0.00  0.00  6.50
assign (resid  38 and name HD1*  )(resid  39 and name HH2   )  0.00  0.00  6.50
assign (resid  38 and name HD2*  )(resid  39 and name HN    )  0.00  0.00  6.50
assign (resid  38 and name HD2*  )(resid  39 and name HE3   )  0.00  0.00  6.50
assign (resid  39 and name HN    )(resid  40 and name HN    )  0.00  0.00  5.00
assign (resid  39 and name HA    )(resid  40 and name HN    )  0.00  0.00  3.50
assign (resid  39 and name HB2   )(resid  40 and name HN    )  0.00  0.00  5.00
assign (resid  39 and name HB1   )(resid  40 and name HN    )  0.00  0.00  5.00
assign (resid  39 and name HD1   )(resid  40 and name HG*   )  0.00  0.00  6.00
assign (resid  39 and name HD1   )(resid  40 and name HD*   )  0.00  0.00  6.00
assign (resid  40 and name HN    )(resid  41 and name HN    )  0.00  0.00  3.50
assign (resid  40 and name HN    )(resid  41 and name HB*   )  0.00  0.00  6.00
assign (resid  40 and name HA    )(resid  41 and name HN    )  0.00  0.00  2.80
assign (resid  40 and name HB*   )(resid  41 and name HN    )  0.00  0.00  4.50
assign (resid  40 and name HB*   )(resid  41 and name HA    )  0.00  0.00  6.00
assign (resid  40 and name HG*   )(resid  41 and name HN    )  0.00  0.00  6.00
assign (resid  41 and name HN    )(resid  42 and name HN    )  0.00  0.00  5.00
assign (resid  41 and name HA    )(resid  42 and name HN    )  0.00  0.00  2.80
assign (resid  41 and name HA    )(resid  42 and name HB1   )  0.00  0.00  5.00
assign (resid  41 and name HB2   )(resid  42 and name HN    )  0.00  0.00  5.00
assign (resid  41 and name HB1   )(resid  42 and name HN    )  0.00  0.00  5.00
assign (resid  41 and name HG*   )(resid  42 and name HN    )  0.00  0.00  6.00
! total in this range:    184
! range |i-j| =     2
assign (resid   3 and name HG*   )(resid   5 and name HD*   )  0.00  0.00  7.00
assign (resid  16 and name HN    )(resid  18 and name HN    )  0.00  0.00  5.00
assign (resid  16 and name HN    )(resid  18 and name HE*   )  0.00  0.00  6.50
assign (resid  16 and name HA    )(resid  18 and name HN    )  0.00  0.00  3.50
assign (resid  16 and name HA    )(resid  18 and name HB1   )  0.00  0.00  5.00
assign (resid  19 and name HN    )(resid  21 and name HG*   )  0.00  0.00  7.90
assign (resid  19 and name HG*   )(resid  21 and name HG*   )  0.00  0.00  8.90
assign (resid  19 and name HD*   )(resid  21 and name HA    )  0.00  0.00  6.00
assign (resid  19 and name HD*   )(resid  21 and name HG*   )  0.00  0.00  7.40
assign (resid  19 and name HE*   )(resid  21 and name HG*   )  0.00  0.00  8.90
assign (resid  21 and name HG*   )(resid  23 and name HN    )  0.00  0.00  7.90
assign (resid  21 and name HG*   )(resid  23 and name HA    )  0.00  0.00  7.90
assign (resid  22 and name CG    )(resid  24 and name HN    )  0.00  0.00  7.00
assign (resid  22 and name CZ    )(resid  24 and name HN    )  0.00  0.00  7.00
assign (resid  22 and name CZ    )(resid  24 and name HB*   )  0.00  0.00  8.00
assign (resid  23 and name HB*   )(resid  25 and name HN    )  0.00  0.00  6.50
assign (resid  23 and name HB*   )(resid  25 and name HB*   )  0.00  0.00  7.50
assign (resid  23 and name HB*   )(resid  25 and name CG    )  0.00  0.00  7.00
assign (resid  23 and name HB*   )(resid  25 and name CZ    )  0.00  0.00  7.00
assign (resid  26 and name HB*   )(resid  28 and name HN    )  0.00  0.00  6.00
assign (resid  26 and name HD21  )(resid  28 and name HG*   )  0.00  0.00  6.00
assign (resid  26 and name HD22  )(resid  28 and name HG*   )  0.00  0.00  6.00
assign (resid  30 and name HN    )(resid  32 and name HG*   )  0.00  0.00  6.00
assign (resid  32 and name HA    )(resid  34 and name HG2*  )  0.00  0.00  6.50
assign (resid  32 and name HB2   )(resid  34 and name HG2*  )  0.00  0.00  6.50
assign (resid  32 and name HG*   )(resid  34 and name HG2*  )  0.00  0.00  7.50
assign (resid  34 and name HG2*  )(resid  36 and name HN    )  0.00  0.00  6.50
assign (resid  35 and name HN    )(resid  37 and name HN    )  0.00  0.00  5.00
assign (resid  35 and name HA    )(resid  37 and name HN    )  0.00  0.00  5.00
assign (resid  35 and name HB    )(resid  37 and name HN    )  0.00  0.00  5.00
assign (resid  35 and name HG2*  )(resid  37 and name HN    )  0.00  0.00  6.50
assign (resid  35 and name HG2*  )(resid  37 and name HB*   )  0.00  0.00  8.00
assign (resid  35 and name HD*   )(resid  37 and name HN    )  0.00  0.00  6.50
assign (resid  36 and name HN    )(resid  38 and name HN    )  0.00  0.00  5.00
assign (resid  36 and name HA    )(resid  38 and name HN    )  0.00  0.00  5.00
assign (resid  37 and name HN    )(resid  39 and name HN    )  0.00  0.00  5.00
! total in this range:     36
! range |i-j| =     3
assign (resid   3 and name HN    )(resid   6 and name HB2   )  0.00  0.00  3.50
assign (resid   3 and name HN    )(resid   6 and name HB1   )  0.00  0.00  5.00
assign (resid   3 and name HB2   )(resid   6 and name HD21  )  0.00  0.00  5.00
assign (resid   3 and name HB2   )(resid   6 and name HD22  )  0.00  0.00  5.00
assign (resid   3 and name HB1   )(resid   6 and name HD21  )  0.00  0.00  5.00
assign (resid   3 and name HB1   )(resid   6 and name HD22  )  0.00  0.00  5.00
assign (resid   3 and name HG*   )(resid   6 and name HD21  )  0.00  0.00  6.00
assign (resid   3 and name HG*   )(resid   6 and name HD22  )  0.00  0.00  6.00
assign (resid  15 and name HN    )(resid  18 and name HE*   )  0.00  0.00  6.50
assign (resid  15 and name HA    )(resid  18 and name HE*   )  0.00  0.00  6.50
assign (resid  15 and name HB2   )(resid  18 and name HE*   )  0.00  0.00  4.30
assign (resid  15 and name HB1   )(resid  18 and name HE*   )  0.00  0.00  4.30
! hydrogen bond
assign (resid  15 and name O     )(resid  18 and name N     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  15 and name O     )(resid  18 and name HN    )  2.20  0.20  0.00
assign (resid  22 and name CZ    )(resid  25 and name HA    )  0.00  0.00  7.00
assign (resid  23 and name HB*   )(resid  26 and name HN    )  0.00  0.00  6.50
assign (resid  23 and name HB*   )(resid  26 and name HD21  )  0.00  0.00  6.50
assign (resid  23 and name HB*   )(resid  26 and name HD22  )  0.00  0.00  6.50
assign (resid  25 and name CG    )(resid  28 and name HG*   )  0.00  0.00  8.00
! hydrogen bond
assign (resid  26 and name O     )(resid  29 and name N     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  26 and name O     )(resid  29 and name HN    )  2.20  0.20  0.00
assign (resid  34 and name HN    )(resid  37 and name HB*   )  0.00  0.00  6.50
assign (resid  34 and name HG2*  )(resid  37 and name HN    )  0.00  0.00  6.50
! hydrogen bond
assign (resid  34 and name O     )(resid  37 and name N     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  34 and name O     )(resid  37 and name HN    )  2.20  0.20  0.00
assign (resid  35 and name HG2*  )(resid  38 and name HN    )  0.00  0.00  6.50
! hydrogen bond
assign (resid  35 and name O     )(resid  38 and name N     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  35 and name O     )(resid  38 and name HN    )  2.20  0.20  0.00
assign (resid  36 and name HA    )(resid  39 and name HN    )  0.00  0.00  5.00
assign (resid  36 and name HA    )(resid  39 and name HD1   )  0.00  0.00  5.00
assign (resid  36 and name HA    )(resid  39 and name HE1   )  0.00  0.00  5.00
assign (resid  36 and name HB2   )(resid  39 and name HE1   )  0.00  0.00  5.00
assign (resid  36 and name HB2   )(resid  39 and name HZ2   )  0.00  0.00  5.00
assign (resid  36 and name HB1   )(resid  39 and name HE1   )  0.00  0.00  5.00
assign (resid  36 and name HB1   )(resid  39 and name HZ2   )  0.00  0.00  5.00
assign (resid  36 and name HB*   )(resid  39 and name HD1   )  0.00  0.00  6.00
! hydrogen bond
assign (resid  36 and name O     )(resid  39 and name N     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  36 and name O     )(resid  39 and name HN    )  2.20  0.20  0.00
assign (resid  37 and name HA    )(resid  40 and name HB*   )  0.00  0.00  6.00
assign (resid  37 and name HB*   )(resid  40 and name HE*   )  0.00  0.00  7.50
! hydrogen bond
assign (resid  37 and name O     )(resid  40 and name N     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  37 and name O     )(resid  40 and name HN    )  2.20  0.20  0.00
! hydrogen bond
assign (resid  38 and name O     )(resid  41 and name N     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  38 and name O     )(resid  41 and name HN    )  2.20  0.20  0.00
! total in this range:     44
! range |i-j| =     4
assign (resid   2 and name HB*   )(resid   6 and name HB2   )  0.00  0.00  5.00
assign (resid   2 and name HB*   )(resid   6 and name HB1   )  0.00  0.00  5.00
assign (resid   2 and name HB*   )(resid   6 and name HD21  )  0.00  0.00  6.50
assign (resid   2 and name HB*   )(resid   6 and name HD22  )  0.00  0.00  6.50
assign (resid  14 and name HA    )(resid  18 and name HB1   )  0.00  0.00  5.00
assign (resid  14 and name HA    )(resid  18 and name HE*   )  0.00  0.00  6.50
assign (resid  14 and name HB*   )(resid  18 and name HB2   )  0.00  0.00  4.50
assign (resid  14 and name HB*   )(resid  18 and name HB1   )  0.00  0.00  4.50
assign (resid  14 and name HB*   )(resid  18 and name HG2   )  0.00  0.00  6.00
assign (resid  14 and name HB*   )(resid  18 and name HG1   )  0.00  0.00  6.00
assign (resid  14 and name HB*   )(resid  18 and name HE*   )  0.00  0.00  7.50
assign (resid  23 and name HB*   )(resid  27 and name HN    )  0.00  0.00  6.50
assign (resid  33 and name HA    )(resid  37 and name HB*   )  0.00  0.00  6.50
assign (resid  35 and name HG2*  )(resid  39 and name HZ3   )  0.00  0.00  6.50
assign (resid  35 and name HG2*  )(resid  39 and name HZ2   )  0.00  0.00  6.50
assign (resid  35 and name HG2*  )(resid  39 and name HH2   )  0.00  0.00  6.50
assign (resid  35 and name HD*   )(resid  39 and name HZ2   )  0.00  0.00  6.50
! total in this range:     17
! range |i-j| =     5
assign (resid  22 and name HA    )(resid  27 and name HG*   )  0.00  0.00  6.00
assign (resid  22 and name CG    )(resid  27 and name HN    )  0.00  0.00  7.00
assign (resid  22 and name CG    )(resid  27 and name HA    )  0.00  0.00  7.00
assign (resid  22 and name CG    )(resid  27 and name HG*   )  0.00  0.00  8.00
assign (resid  22 and name CZ    )(resid  27 and name HN    )  0.00  0.00  7.00
assign (resid  22 and name CZ    )(resid  27 and name HA    )  0.00  0.00  7.00
assign (resid  22 and name CZ    )(resid  27 and name HB2   )  0.00  0.00  7.00
! total in this range:      7
! range |i-j| =     6
assign (resid  23 and name HB*   )(resid  29 and name HN    )  0.00  0.00  6.50
! total in this range:      1
! range |i-j| =     7
assign (resid  22 and name HA    )(resid  29 and name HA2   )  0.00  0.00  3.50
assign (resid  22 and name HA    )(resid  29 and name HA1   )  0.00  0.00  3.50
assign (resid  22 and name CG    )(resid  29 and name HN    )  0.00  0.00  5.50
assign (resid  22 and name CG    )(resid  29 and name HA2   )  0.00  0.00  7.00
assign (resid  22 and name CG    )(resid  29 and name HA1   )  0.00  0.00  7.00
assign (resid  22 and name CZ    )(resid  29 and name HN    )  0.00  0.00  5.50
assign (resid  22 and name CZ    )(resid  29 and name HA2   )  0.00  0.00  7.00
assign (resid  22 and name CZ    )(resid  29 and name HA1   )  0.00  0.00  7.00
assign (resid  23 and name HB*   )(resid  30 and name HN    )  0.00  0.00  6.50
! total in this range:      9
! range |i-j| =     8
assign (resid  22 and name HA    )(resid  30 and name HN    )  0.00  0.00  5.00
assign (resid  22 and name CG    )(resid  30 and name HN    )  0.00  0.00  7.00
assign (resid  33 and name HB*   )(resid  41 and name HE*   )  0.00  0.00  7.00
! total in this range:      3
! range |i-j| =     9
! hydrogen bond
assign (resid  21 and name N     )(resid  30 and name O     )  3.20  0.30  0.00
assign (resid  21 and name HN    )(resid  30 and name HN    )  0.00  0.00  3.50
! hydrogen bond
assign (resid  21 and name HN    )(resid  30 and name O     )  2.20  0.20  0.00
assign (resid  21 and name HB    )(resid  30 and name HN    )  0.00  0.00  5.00
assign (resid  21 and name HG*   )(resid  30 and name HN    )  0.00  0.00  7.90
! hydrogen bond
assign (resid  21 and name O     )(resid  30 and name N     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  21 and name O     )(resid  30 and name HN    )  2.20  0.20  0.00
! total in this range:      7
! range |i-j| =    10
assign (resid  21 and name HN    )(resid  31 and name HA    )  0.00  0.00  5.00
assign (resid  21 and name HG*   )(resid  31 and name HA    )  0.00  0.00  7.90
! total in this range:      2
! range |i-j| =    11
assign (resid  20 and name HA    )(resid  31 and name HA    )  0.00  0.00  2.80
assign (resid  21 and name HN    )(resid  32 and name HN    )  0.00  0.00  5.00
assign (resid  21 and name HN    )(resid  32 and name HG*   )  0.00  0.00  6.00
assign (resid  21 and name HB    )(resid  32 and name HE21  )  0.00  0.00  5.00
assign (resid  21 and name HB    )(resid  32 and name HE22  )  0.00  0.00  5.00
assign (resid  21 and name HG*   )(resid  32 and name HN    )  0.00  0.00  7.90
assign (resid  21 and name HG*   )(resid  32 and name HA    )  0.00  0.00  7.90
assign (resid  21 and name HG*   )(resid  32 and name HB2   )  0.00  0.00  6.40
assign (resid  21 and name HG*   )(resid  32 and name HB1   )  0.00  0.00  6.40
assign (resid  21 and name HG*   )(resid  32 and name HG*   )  0.00  0.00  7.40
assign (resid  21 and name HG*   )(resid  32 and name HE21  )  0.00  0.00  7.90
assign (resid  21 and name HG*   )(resid  32 and name HE22  )  0.00  0.00  7.90
! total in this range:     12
! range |i-j| =    12
assign (resid   2 and name HN    )(resid  14 and name HA    )  0.00  0.00  3.50
assign (resid   2 and name HN    )(resid  14 and name HB*   )  0.00  0.00  6.00
assign (resid   2 and name HB*   )(resid  14 and name HA    )  0.00  0.00  5.00
assign (resid   2 and name HB*   )(resid  14 and name HB*   )  0.00  0.00  7.50
assign (resid   3 and name HA    )(resid  15 and name HB1   )  0.00  0.00  5.00
assign (resid  21 and name HG*   )(resid  33 and name HN    )  0.00  0.00  7.90
! total in this range:      6
! range |i-j| =    13
assign (resid   1 and name HB1   )(resid  14 and name HA    )  0.00  0.00  5.00
assign (resid   2 and name HN    )(resid  15 and name HN    )  0.00  0.00  5.00
assign (resid   2 and name HB*   )(resid  15 and name HN    )  0.00  0.00  6.50
assign (resid  18 and name HB2   )(resid  31 and name HB2   )  0.00  0.00  5.00
assign (resid  18 and name HB2   )(resid  31 and name HB1   )  0.00  0.00  5.00
assign (resid  18 and name HB1   )(resid  31 and name HA    )  0.00  0.00  5.00
assign (resid  18 and name HB1   )(resid  31 and name HB2   )  0.00  0.00  5.00
assign (resid  18 and name HB1   )(resid  31 and name HB1   )  0.00  0.00  5.00
assign (resid  18 and name HG2   )(resid  31 and name HB1   )  0.00  0.00  5.00
assign (resid  18 and name HG*   )(resid  31 and name HA    )  0.00  0.00  6.00
assign (resid  18 and name HE*   )(resid  31 and name HA    )  0.00  0.00  6.50
assign (resid  18 and name HE*   )(resid  31 and name HB2   )  0.00  0.00  6.50
assign (resid  18 and name HE*   )(resid  31 and name HB1   )  0.00  0.00  5.00
! hydrogen bond
assign (resid  19 and name N     )(resid  32 and name O     )  3.20  0.30  0.00
assign (resid  19 and name HN    )(resid  32 and name HN    )  0.00  0.00  5.00
! hydrogen bond
assign (resid  19 and name HN    )(resid  32 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  19 and name O     )(resid  32 and name N     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  19 and name O     )(resid  32 and name HN    )  2.20  0.20  0.00
assign (resid  21 and name HG*   )(resid  34 and name HA    )  0.00  0.00  7.90
assign (resid  21 and name HG*   )(resid  34 and name HB    )  0.00  0.00  7.90
assign (resid  21 and name HG*   )(resid  34 and name HG2*  )  0.00  0.00  7.90
! total in this range:     21
! range |i-j| =    14
assign (resid   1 and name HB1   )(resid  15 and name HA    )  0.00  0.00  5.00
assign (resid   4 and name HA    )(resid  18 and name HE*   )  0.00  0.00  5.00
assign (resid  18 and name HB1   )(resid  32 and name HN    )  0.00  0.00  5.00
! total in this range:      3
! range |i-j| =    15
assign (resid   3 and name HN    )(resid  18 and name HE*   )  0.00  0.00  6.00
assign (resid   3 and name HA    )(resid  18 and name HE*   )  0.00  0.00  4.30
assign (resid  18 and name HB2   )(resid  33 and name HA    )  0.00  0.00  5.00
assign (resid  18 and name HB1   )(resid  33 and name HA    )  0.00  0.00  5.00
assign (resid  18 and name HG2   )(resid  33 and name HA    )  0.00  0.00  5.00
assign (resid  18 and name HG1   )(resid  33 and name HA    )  0.00  0.00  5.00
assign (resid  19 and name HN    )(resid  34 and name HG2*  )  0.00  0.00  6.50
assign (resid  19 and name HD*   )(resid  34 and name HB    )  0.00  0.00  6.00
assign (resid  19 and name HD*   )(resid  34 and name HG2*  )  0.00  0.00  6.00
assign (resid  19 and name HE*   )(resid  34 and name HG2*  )  0.00  0.00  7.50
! total in this range:     10
! range |i-j| =    16
assign (resid   2 and name HN    )(resid  18 and name HE*   )  0.00  0.00  6.50
assign (resid   2 and name HB*   )(resid  18 and name HE*   )  0.00  0.00  8.00
assign (resid   7 and name HD1   )(resid  23 and name HB*   )  0.00  0.00  6.50
assign (resid  17 and name HG2   )(resid  33 and name HA    )  0.00  0.00  5.00
assign (resid  21 and name HG*   )(resid  37 and name HB*   )  0.00  0.00  9.40
! total in this range:      5
! range |i-j| =    17
assign (resid   1 and name HB1   )(resid  18 and name HE*   )  0.00  0.00  6.50
assign (resid  14 and name HB*   )(resid  31 and name HA    )  0.00  0.00  6.00
assign (resid  17 and name HB2   )(resid  34 and name HG2*  )  0.00  0.00  6.50
! total in this range:      3
! range |i-j| =    18
assign (resid  19 and name HE*   )(resid  37 and name HB*   )  0.00  0.00  7.50
! total in this range:      1
! range |i-j| =    19
assign (resid   7 and name HD1   )(resid  26 and name HB*   )  0.00  0.00  6.00
! total in this range:      1
! range |i-j| =    20
! hydrogen bond
assign (resid   8 and name N     )(resid  28 and name O     )  3.20  0.30  0.00
! hydrogen bond
assign (resid   8 and name HN    )(resid  28 and name O     )  2.20  0.20  0.00
assign (resid  17 and name HA    )(resid  37 and name HB*   )  0.00  0.00  6.50
assign (resid  17 and name HB2   )(resid  37 and name HB*   )  0.00  0.00  6.50
assign (resid  17 and name HB1   )(resid  37 and name HB*   )  0.00  0.00  6.50
assign (resid  17 and name HD2   )(resid  37 and name HB*   )  0.00  0.00  6.50
assign (resid  17 and name HD1   )(resid  37 and name HB*   )  0.00  0.00  6.50
! total in this range:      7
! range |i-j| =    21
assign (resid   7 and name HD1   )(resid  28 and name HB*   )  0.00  0.00  6.00
assign (resid   7 and name HD1   )(resid  28 and name HG2   )  0.00  0.00  5.00
assign (resid   7 and name HD1   )(resid  28 and name HG1   )  0.00  0.00  5.00
assign (resid   7 and name HE3   )(resid  28 and name HB*   )  0.00  0.00  6.00
assign (resid   7 and name HE3   )(resid  28 and name HG*   )  0.00  0.00  6.00
assign (resid   7 and name HE1   )(resid  28 and name HB*   )  0.00  0.00  6.00
assign (resid   7 and name HE1   )(resid  28 and name HG2   )  0.00  0.00  5.00
assign (resid   7 and name HE1   )(resid  28 and name HG1   )  0.00  0.00  5.00
assign (resid   7 and name HZ2   )(resid  28 and name HG*   )  0.00  0.00  6.00
! hydrogen bond
assign (resid   8 and name N     )(resid  29 and name O     )  3.20  0.30  0.00
assign (resid   8 and name HN    )(resid  29 and name HN    )  0.00  0.00  5.00
! hydrogen bond
assign (resid   8 and name HN    )(resid  29 and name O     )  2.20  0.20  0.00
assign (resid   8 and name HB2   )(resid  29 and name HA1   )  0.00  0.00  5.00
assign (resid   8 and name HB1   )(resid  29 and name HA1   )  0.00  0.00  5.00
assign (resid  17 and name HB2   )(resid  38 and name HD*   )  0.00  0.00  7.90
assign (resid  17 and name HB1   )(resid  38 and name HA    )  0.00  0.00  5.00
! total in this range:     16
! range |i-j| =    22
assign (resid   8 and name HN    )(resid  30 and name HN    )  0.00  0.00  5.00
assign (resid   8 and name HN    )(resid  30 and name HA    )  0.00  0.00  3.50
assign (resid   8 and name HB2   )(resid  30 and name HA    )  0.00  0.00  5.00
assign (resid   8 and name HB1   )(resid  30 and name HA    )  0.00  0.00  5.00
! total in this range:      4
! range |i-j| =    23
assign (resid   7 and name HB*   )(resid  30 and name HA    )  0.00  0.00  6.00
assign (resid   7 and name HD1   )(resid  30 and name HA    )  0.00  0.00  5.00
assign (resid   7 and name HD1   )(resid  30 and name HB*   )  0.00  0.00  6.00
assign (resid  17 and name HA    )(resid  40 and name HG*   )  0.00  0.00  6.00
assign (resid  17 and name HA    )(resid  40 and name HD*   )  0.00  0.00  6.00
assign (resid  17 and name HA    )(resid  40 and name HE*   )  0.00  0.00  6.00
assign (resid  17 and name HB2   )(resid  40 and name HG*   )  0.00  0.00  6.00
! total in this range:      7
! range |i-j| =    24
assign (resid  17 and name HB1   )(resid  41 and name HE*   )  0.00  0.00  6.00
! total in this range:      1
! range |i-j| =    25
assign (resid   5 and name HA    )(resid  30 and name HB2   )  0.00  0.00  3.50
assign (resid   6 and name HN    )(resid  31 and name HB2   )  0.00  0.00  5.00
assign (resid   6 and name HN    )(resid  31 and name HB1   )  0.00  0.00  5.00
! hydrogen bond
assign (resid   6 and name O     )(resid  31 and name N     )  3.20  0.30  0.00
! hydrogen bond
assign (resid   6 and name O     )(resid  31 and name HN    )  2.20  0.20  0.00
assign (resid  16 and name HB*   )(resid  41 and name HA    )  0.00  0.00  6.00
! total in this range:      6
! range |i-j| =    26
! hydrogen bond
assign (resid   5 and name N     )(resid  31 and name O     )  3.20  0.30  0.00
assign (resid   5 and name HN    )(resid  31 and name HN    )  0.00  0.00  5.00
assign (resid   5 and name HN    )(resid  31 and name HB2   )  0.00  0.00  5.00
assign (resid   5 and name HN    )(resid  31 and name HB1   )  0.00  0.00  5.00
! hydrogen bond
assign (resid   5 and name HN    )(resid  31 and name O     )  2.20  0.20  0.00
assign (resid   5 and name HA    )(resid  31 and name HN    )  0.00  0.00  5.00
assign (resid  16 and name HB*   )(resid  42 and name HB1   )  0.00  0.00  6.00
! total in this range:      7
! range |i-j| =    27
assign (resid   4 and name HA    )(resid  31 and name HB2   )  0.00  0.00  3.50
assign (resid   4 and name HA    )(resid  31 and name HB1   )  0.00  0.00  3.50
assign (resid   5 and name HA    )(resid  32 and name HE21  )  0.00  0.00  5.00
assign (resid   5 and name HA    )(resid  32 and name HE22  )  0.00  0.00  5.00
! total in this range:      4
! range |i-j| =    28
assign (resid   4 and name HA    )(resid  32 and name HN    )  0.00  0.00  5.00
assign (resid   4 and name HG*   )(resid  32 and name HA    )  0.00  0.00  4.50
! total in this range:      2
! range |i-j| =    29
assign (resid   2 and name HB*   )(resid  31 and name HB2   )  0.00  0.00  6.50
assign (resid   2 and name HB*   )(resid  31 and name HB1   )  0.00  0.00  6.50
assign (resid   4 and name HG*   )(resid  33 and name HN    )  0.00  0.00  6.00
assign (resid   4 and name HD*   )(resid  33 and name HN    )  0.00  0.00  6.00
! total in this range:      4
! end of distance restraints


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    CYS   1          2H        CYS   1   1.854   0.247   0.755
    2   2H    CYS   1          1H        CYS   1   0.533   0.887  -0.101
    3   3H    CYS   1          3H        CYS   1   0.713  -0.793   0.047
    4    HA   CYS   1           HA       CYS   1   1.896  -0.877  -1.791
    5   1HB   CYS   1          2HB       CYS   1   0.492   1.251  -2.237
    6   2HB   CYS   1          1HB       CYS   1   1.996   2.116  -1.957
    7    H    ALA   2           H        ALA   2   3.996  -0.286  -2.842
    8    HA   ALA   2           HA       ALA   2   5.978   0.690  -0.885
    9   1HB   ALA   2          3HB       ALA   2   5.740  -1.937  -1.410
   10   2HB   ALA   2          2HB       ALA   2   6.807  -1.473  -2.737
   11   3HB   ALA   2          1HB       ALA   2   7.290  -1.166  -1.067
   12    H    LYS   3           H        LYS   3   8.017   1.363  -1.918
   13    HA   LYS   3           HA       LYS   3   7.480   2.580  -4.550
   14   1HB   LYS   3          2HB       LYS   3   9.229   3.344  -2.233
   15   2HB   LYS   3          1HB       LYS   3   9.556   3.972  -3.846
   16   1HG   LYS   3          2HG       LYS   3   8.166   5.618  -3.026
   17   2HG   LYS   3          1HG       LYS   3   6.988   4.558  -3.795
   18   1HD   LYS   3          2HD       LYS   3   5.941   4.337  -1.835
   19   2HD   LYS   3          1HD       LYS   3   7.385   3.580  -1.168
   20   1HE   LYS   3          2HE       LYS   3   8.057   5.483  -0.108
   21   2HE   LYS   3          1HE       LYS   3   7.418   6.537  -1.366
   22   1HZ   LYS   3          3HZ       LYS   3   5.217   5.356  -0.250
   23   2HZ   LYS   3          2HZ       LYS   3   6.220   5.701   1.077
   24   3HZ   LYS   3          1HZ       LYS   3   5.754   6.942   0.015
   25    H    LYS   4           H        LYS   4   9.725   3.013  -5.708
   26    HA   LYS   4           HA       LYS   4  10.704   0.470  -6.511
   27   1HB   LYS   4          2HB       LYS   4  11.747   3.252  -7.054
   28   2HB   LYS   4          1HB       LYS   4  12.317   1.792  -7.860
   29   1HG   LYS   4          2HG       LYS   4  10.453   1.618  -9.150
   30   2HG   LYS   4          1HG       LYS   4   9.390   2.211  -7.877
   31   1HD   LYS   4          2HD       LYS   4   9.290   3.983  -9.339
   32   2HD   LYS   4          1HD       LYS   4  10.654   4.485  -8.343
   33   1HE   LYS   4          2HE       LYS   4  11.421   2.768 -10.586
   34   2HE   LYS   4          1HE       LYS   4  10.666   4.278 -11.089
   35   1HZ   LYS   4          1HZ       LYS   4  12.263   5.408  -9.549
   36   2HZ   LYS   4          3HZ       LYS   4  13.072   3.926  -9.399
   37   3HZ   LYS   4          2HZ       LYS   4  12.963   4.683 -10.916
   38    H    ARG   5           H        ARG   5  12.637  -0.543  -6.110
   39    HA   ARG   5           HA       ARG   5  14.652  -1.024  -5.091
   40   1HB   ARG   5          2HB       ARG   5  14.580   1.662  -3.743
   41   2HB   ARG   5          1HB       ARG   5  15.980   0.675  -4.153
   42   1HG   ARG   5          2HG       ARG   5  16.174   1.830  -6.056
   43   2HG   ARG   5          1HG       ARG   5  14.632   1.156  -6.578
   44   1HD   ARG   5          2HD       ARG   5  13.565   3.116  -6.277
   45   2HD   ARG   5          1HD       ARG   5  14.313   3.370  -4.700
   46    HE   ARG   5           HE       ARG   5  15.844   4.753  -5.738
   47   1HH1  ARG   5          1HH2      ARG   5  14.475   2.546  -8.058
   48   2HH1  ARG   5          2HH2      ARG   5  15.217   3.312  -9.423
   49   1HH2  ARG   5          1HH1      ARG   5  16.534   5.162  -9.128
   50   2HH2  ARG   5          2HH1      ARG   5  16.791   5.801  -7.539
   51    H    ASN   6           H        ASN   6  11.821  -1.075  -3.888
   52    HA   ASN   6           HA       ASN   6  12.483  -1.203  -1.032
   53   1HB   ASN   6          2HB       ASN   6   9.915  -1.136  -2.593
   54   2HB   ASN   6          1HB       ASN   6   9.948  -1.616  -0.898
   55   1HD2  ASN   6          2HD2      ASN   6  10.945   2.235  -1.922
   56   2HD2  ASN   6          1HD2      ASN   6  11.175   0.936  -3.038
   57    H    TRP   7           H        TRP   7  12.913  -3.092  -0.095
   58    HA   TRP   7           HA       TRP   7  13.115  -5.526  -1.424
   59   1HB   TRP   7          2HB       TRP   7  13.213  -4.614   1.355
   60   2HB   TRP   7          1HB       TRP   7  12.693  -6.284   1.170
   61    HD1  TRP   7           HD1      TRP   7  14.685  -6.672  -1.527
   62    HE1  TRP   7           HE1      TRP   7  17.157  -7.073  -1.034
   63    HE3  TRP   7           HE3      TRP   7  14.928  -4.906   3.259
   64    HZ2  TRP   7           HZ2      TRP   7  18.989  -6.711   1.061
   65    HZ3  TRP   7           HZ3      TRP   7  17.078  -4.960   4.461
   66    HH2  TRP   7           HH2      TRP   7  19.094  -5.855   3.372
   67    H    CYS   8           H        CYS   8  11.757  -7.176  -1.843
   68    HA   CYS   8           HA       CYS   8   8.914  -6.807  -1.167
   69   1HB   CYS   8          2HB       CYS   8   9.448  -6.978  -3.550
   70   2HB   CYS   8          1HB       CYS   8  10.242  -8.521  -3.272
   71    H    GLY   9           H        GLY   9   7.674  -8.645  -0.496
   72   1HA   GLY   9          2HA       GLY   9   8.912 -11.124   0.240
   73   2HA   GLY   9          1HA       GLY   9   8.635 -10.082   1.636
   74    H    LYS  10           H        LYS  10   6.835 -10.626   2.670
   75    HA   LYS  10           HA       LYS  10   4.788 -12.253   1.674
   76   1HB   LYS  10          2HB       LYS  10   3.530 -11.608   3.649
   77   2HB   LYS  10          1HB       LYS  10   5.218 -11.880   4.072
   78   1HG   LYS  10          2HG       LYS  10   5.006  -9.159   3.361
   79   2HG   LYS  10          1HG       LYS  10   3.626  -9.507   4.398
   80   1HD   LYS  10          2HD       LYS  10   5.007 -10.212   6.181
   81   2HD   LYS  10          1HD       LYS  10   6.418 -10.361   5.137
   82   1HE   LYS  10          2HE       LYS  10   5.076  -7.704   5.527
   83   2HE   LYS  10          1HE       LYS  10   6.237  -8.305   6.708
   84   1HZ   LYS  10          2HZ       LYS  10   7.589  -8.709   4.471
   85   2HZ   LYS  10          1HZ       LYS  10   6.659  -7.371   3.988
   86   3HZ   LYS  10          3HZ       LYS  10   7.668  -7.256   5.347
   87    H    THR  11           H        THR  11   2.379 -11.326   1.910
   88    HA   THR  11           HA       THR  11   1.826  -9.886  -0.398
   89    HB   THR  11           HB       THR  11   0.177 -11.248   0.780
   90    HG1  THR  11           HG1      THR  11  -0.494  -9.502  -0.614
   91   1HG2  THR  11          1HG2      THR  11   0.839  -9.461   2.974
   92   2HG2  THR  11          3HG2      THR  11  -0.903  -9.579   2.716
   93   3HG2  THR  11          2HG2      THR  11   0.052 -11.038   3.006
   94    H    GLU  12           H        GLU  12   1.697  -7.781  -0.915
   95    HA   GLU  12           HA       GLU  12   1.267  -5.654   0.898
   96   1HB   GLU  12          2HB       GLU  12   3.717  -6.491   1.345
   97   2HB   GLU  12          1HB       GLU  12   4.076  -5.592  -0.127
   98   1HG   GLU  12          2HG       GLU  12   2.486  -3.846   1.330
   99   2HG   GLU  12          1HG       GLU  12   3.496  -4.610   2.558
  100    H    ASP  13           H        ASP  13   2.956  -6.553  -2.094
  101    HA   ASP  13           HA       ASP  13   2.651  -5.846  -4.261
  102   1HB   ASP  13          2HB       ASP  13   0.173  -5.679  -3.287
  103   2HB   ASP  13          1HB       ASP  13   0.473  -3.958  -3.536
  104    H    CYS  14           H        CYS  14   3.210  -4.067  -5.581
  105    HA   CYS  14           HA       CYS  14   4.381  -1.802  -4.089
  106   1HB   CYS  14          2HB       CYS  14   5.091  -2.589  -6.902
  107   2HB   CYS  14          1HB       CYS  14   6.014  -1.607  -5.774
  108    H    CYS  15           H        CYS  15   4.688   0.081  -5.898
  109    HA   CYS  15           HA       CYS  15   1.934   0.781  -6.633
  110   1HB   CYS  15          2HB       CYS  15   4.437   2.346  -6.119
  111   2HB   CYS  15          1HB       CYS  15   3.097   3.070  -6.995
  112    H    CYS  16           H        CYS  16   1.494  -0.044  -8.600
  113    HA   CYS  16           HA       CYS  16   3.030  -0.707 -10.704
  114   1HB   CYS  16          2HB       CYS  16   1.119   0.128 -12.187
  115   2HB   CYS  16          1HB       CYS  16   0.741  -1.072 -10.961
  116    HA   PRO  17           HA       PRO  17   3.102  -0.666 -12.879
  117   1HB   PRO  17          2HB       PRO  17   5.293  -0.597 -14.465
  118   2HB   PRO  17          1HB       PRO  17   3.761   0.184 -14.887
  119   1HG   PRO  17          2HG       PRO  17   6.283   1.385 -13.908
  120   2HG   PRO  17          1HG       PRO  17   5.053   2.060 -14.988
  121   1HD   PRO  17          2HD       PRO  17   5.348   2.670 -12.287
  122   2HD   PRO  17          1HD       PRO  17   3.904   2.985 -13.267
  123    H    MET  18           H        MET  18   5.113   0.378 -10.558
  124    HA   MET  18           HA       MET  18   7.302  -1.373 -10.551
  125   1HB   MET  18          2HB       MET  18   5.789  -0.047  -8.305
  126   2HB   MET  18          1HB       MET  18   7.295  -0.929  -8.082
  127   1HG   MET  18          2HG       MET  18   8.539   0.746  -8.933
  128   2HG   MET  18          1HG       MET  18   7.402   1.045 -10.241
  129   1HE   MET  18          3HE       MET  18   6.248   0.836  -6.625
  130   2HE   MET  18          2HE       MET  18   7.797   1.587  -6.249
  131   3HE   MET  18          1HE       MET  18   6.306   2.497  -6.019
  132    H    LYS  19           H        LYS  19   7.441  -3.487 -10.248
  133    HA   LYS  19           HA       LYS  19   5.321  -4.889  -8.753
  134   1HB   LYS  19          2HB       LYS  19   5.094  -5.070 -11.295
  135   2HB   LYS  19          1HB       LYS  19   6.576  -6.022 -11.246
  136   1HG   LYS  19          2HG       LYS  19   4.961  -7.121  -9.250
  137   2HG   LYS  19          1HG       LYS  19   3.861  -6.801 -10.588
  138   1HD   LYS  19          2HD       LYS  19   6.037  -7.885 -11.868
  139   2HD   LYS  19          1HD       LYS  19   6.007  -8.785 -10.354
  140   1HE   LYS  19          2HE       LYS  19   3.872  -9.650 -10.769
  141   2HE   LYS  19          1HE       LYS  19   3.496  -8.405 -11.956
  142   1HZ   LYS  19          1HZ       LYS  19   5.670 -10.344 -12.422
  143   2HZ   LYS  19          3HZ       LYS  19   4.060 -10.739 -12.780
  144   3HZ   LYS  19          2HZ       LYS  19   4.802  -9.422 -13.555
  145    H    CYS  20           H        CYS  20   6.018  -6.643  -7.544
  146    HA   CYS  20           HA       CYS  20   8.566  -6.622  -6.467
  147   1HB   CYS  20          2HB       CYS  20   6.401  -8.671  -6.589
  148   2HB   CYS  20          1HB       CYS  20   7.977  -9.141  -5.967
  149    H    VAL  21           H        VAL  21  10.462  -7.034  -7.319
  150    HA   VAL  21           HA       VAL  21  10.680  -9.005  -9.514
  151    HB   VAL  21           HB       VAL  21  12.279  -6.487  -9.048
  152   1HG1  VAL  21          3HG1      VAL  21  12.487  -8.650 -11.127
  153   2HG1  VAL  21          2HG1      VAL  21  13.126  -7.025 -11.387
  154   3HG1  VAL  21          1HG1      VAL  21  13.749  -8.018 -10.068
  155   1HG2  VAL  21          2HG2      VAL  21   9.777  -6.939 -10.353
  156   2HG2  VAL  21          1HG2      VAL  21  10.688  -5.435 -10.202
  157   3HG2  VAL  21          3HG2      VAL  21  10.983  -6.512 -11.569
  158    H    TYR  22           H        TYR  22  13.006  -9.850  -9.694
  159    HA   TYR  22           HA       TYR  22  14.019 -10.444  -6.986
  160   1HB   TYR  22          2HB       TYR  22  13.039 -12.332  -8.349
  161   2HB   TYR  22          1HB       TYR  22  14.376 -12.115  -9.470
  162    HD1  TYR  22           HD2      TYR  22  16.765 -12.089  -8.315
  163    HD2  TYR  22           HD1      TYR  22  13.261 -13.877  -6.660
  164    HE1  TYR  22           HE2      TYR  22  18.170 -13.539  -6.902
  165    HE2  TYR  22           HE1      TYR  22  14.669 -15.326  -5.249
  166    HH   TYR  22           HH       TYR  22  17.846 -14.784  -4.643
  167    H    ALA  23           H        ALA  23  16.231 -10.399  -6.620
  168    HA   ALA  23           HA       ALA  23  17.776  -8.845  -8.579
  169   1HB   ALA  23          2HB       ALA  23  18.250  -9.410  -5.645
  170   2HB   ALA  23          1HB       ALA  23  19.327  -8.459  -6.670
  171   3HB   ALA  23          3HB       ALA  23  17.686  -7.893  -6.350
  172    H    TRP  24           H        TRP  24  19.521 -10.657  -6.230
  173    HA   TRP  24           HA       TRP  24  20.019 -12.925  -7.964
  174   1HB   TRP  24          2HB       TRP  24  22.598 -12.286  -7.524
  175   2HB   TRP  24          1HB       TRP  24  21.731 -11.875  -8.996
  176    HD1  TRP  24           HD1      TRP  24  20.436  -9.251  -8.742
  177    HE1  TRP  24           HE1      TRP  24  21.565  -7.139  -7.864
  178    HE3  TRP  24           HE3      TRP  24  24.332 -11.329  -6.149
  179    HZ2  TRP  24           HZ2      TRP  24  23.779  -6.403  -6.306
  180    HZ3  TRP  24           HZ3      TRP  24  25.926  -9.856  -4.987
  181    HH2  TRP  24           HH2      TRP  24  25.654  -7.413  -5.063
  182    H    TYR  25           H        TYR  25  22.150 -11.527  -5.532
  183    HA   TYR  25           HA       TYR  25  22.020 -13.938  -3.962
  184   1HB   TYR  25          2HB       TYR  25  23.907 -13.175  -2.913
  185   2HB   TYR  25          1HB       TYR  25  24.043 -12.330  -4.446
  186    HD1  TYR  25           HD2      TYR  25  22.685  -9.989  -4.435
  187    HD2  TYR  25           HD1      TYR  25  24.326 -11.949  -1.019
  188    HE1  TYR  25           HE2      TYR  25  22.755  -7.839  -3.233
  189    HE2  TYR  25           HE1      TYR  25  24.393  -9.797   0.181
  190    HH   TYR  25           HH       TYR  25  24.488  -7.100  -0.877
  191    H    ASN  26           H        ASN  26  19.916 -11.528  -4.252
  192    HA   ASN  26           HA       ASN  26  19.114 -11.646  -1.418
  193   1HB   ASN  26          2HB       ASN  26  19.584  -9.271  -3.135
  194   2HB   ASN  26          1HB       ASN  26  18.170  -9.230  -2.081
  195   1HD2  ASN  26          2HD2      ASN  26  21.520  -8.154  -0.486
  196   2HD2  ASN  26          1HD2      ASN  26  20.966  -7.947  -2.108
  197    H    GLU  27           H        GLU  27  17.714 -13.360  -2.186
  198    HA   GLU  27           HA       GLU  27  15.817 -13.194  -4.197
  199   1HB   GLU  27          2HB       GLU  27  16.086 -15.274  -3.104
  200   2HB   GLU  27          1HB       GLU  27  15.765 -14.571  -1.521
  201   1HG   GLU  27          2HG       GLU  27  13.453 -14.292  -2.008
  202   2HG   GLU  27          1HG       GLU  27  13.704 -14.612  -3.725
  203    H    GLN  28           H        GLN  28  15.999 -11.476  -1.235
  204    HA   GLN  28           HA       GLN  28  13.488 -10.859  -0.455
  205   1HB   GLN  28          2HB       GLN  28  15.679  -8.831  -0.924
  206   2HB   GLN  28          1HB       GLN  28  14.304  -8.647   0.156
  207   1HG   GLN  28          2HG       GLN  28  16.099 -11.005   0.533
  208   2HG   GLN  28          1HG       GLN  28  16.657  -9.422   1.074
  209   1HE2  GLN  28          2HE2      GLN  28  13.462 -11.224   2.901
  210   2HE2  GLN  28          1HE2      GLN  28  13.965 -11.699   1.318
  211    H    GLY  29           H        GLY  29  15.060  -9.850  -3.423
  212   1HA   GLY  29          2HA       GLY  29  14.248  -8.889  -5.347
  213   2HA   GLY  29          1HA       GLY  29  12.640  -9.352  -4.790
  214    H    SER  30           H        SER  30  12.853  -7.003  -6.123
  215    HA   SER  30           HA       SER  30  12.163  -5.076  -4.045
  216   1HB   SER  30          2HB       SER  30  13.536  -3.340  -5.401
  217   2HB   SER  30          1HB       SER  30  14.345  -4.359  -4.222
  218    HG   SER  30           HG       SER  30  15.578  -4.734  -5.950
  219    H    CYS  31           H        CYS  31  10.908  -3.348  -4.777
  220    HA   CYS  31           HA       CYS  31   9.164  -4.000  -6.953
  221   1HB   CYS  31          2HB       CYS  31   9.376  -1.522  -5.244
  222   2HB   CYS  31          1HB       CYS  31   8.077  -1.854  -6.376
  223    H    GLN  32           H        GLN  32   9.568  -3.603  -9.020
  224    HA   GLN  32           HA       GLN  32  10.814  -1.081  -9.815
  225   1HB   GLN  32          2HB       GLN  32  11.934  -3.798 -10.496
  226   2HB   GLN  32          1HB       GLN  32  12.353  -2.327 -11.370
  227   1HG   GLN  32          2HG       GLN  32  13.209  -1.328  -9.302
  228   2HG   GLN  32          1HG       GLN  32  12.761  -2.779  -8.405
  229   1HE2  GLN  32          2HE2      GLN  32  16.074  -3.794  -8.930
  230   2HE2  GLN  32          1HE2      GLN  32  14.901  -3.204  -7.808
  231    H    SER  33           H        SER  33   9.980  -0.305 -11.668
  232    HA   SER  33           HA       SER  33   7.626  -1.288 -12.764
  233   1HB   SER  33          2HB       SER  33   7.825   0.402 -14.377
  234   2HB   SER  33          1HB       SER  33   8.700   1.033 -12.989
  235    HG   SER  33           HG       SER  33   9.866   1.238 -14.999
  236    H    THR  34           H        THR  34   7.368  -3.198 -13.707
  237    HA   THR  34           HA       THR  34   9.512  -4.426 -15.231
  238    HB   THR  34           HB       THR  34   8.041  -6.379 -15.294
  239    HG1  THR  34           HG1      THR  34   6.021  -5.521 -15.363
  240   1HG2  THR  34          1HG2      THR  34   9.502  -5.888 -13.306
  241   2HG2  THR  34          3HG2      THR  34   8.075  -5.221 -12.510
  242   3HG2  THR  34          2HG2      THR  34   8.113  -6.925 -12.970
  243    H    ILE  35           H        ILE  35   9.234  -5.188 -17.378
  244    HA   ILE  35           HA       ILE  35   8.084  -3.331 -19.148
  245    HB   ILE  35           HB       ILE  35   9.155  -6.114 -19.457
  246   1HG1  ILE  35          2HG1      ILE  35  10.589  -4.032 -19.063
  247   2HG1  ILE  35          1HG1      ILE  35  11.017  -5.066 -20.423
  248   1HG2  ILE  35          1HG2      ILE  35   7.624  -4.498 -21.427
  249   2HG2  ILE  35          3HG2      ILE  35   9.048  -5.367 -22.003
  250   3HG2  ILE  35          2HG2      ILE  35   7.727  -6.250 -21.234
  251   1HD1  ILE  35          2HD1      ILE  35   9.728  -3.549 -21.923
  252   2HD1  ILE  35          1HD1      ILE  35   9.442  -2.485 -20.543
  253   3HD1  ILE  35          3HD1      ILE  35  11.086  -2.744 -21.131
  254    H    SER  36           H        SER  36   6.971  -6.486 -17.987
  255    HA   SER  36           HA       SER  36   4.662  -6.674 -19.597
  256   1HB   SER  36          2HB       SER  36   4.041  -8.463 -18.222
  257   2HB   SER  36          1HB       SER  36   5.797  -8.464 -18.128
  258    HG   SER  36           HG       SER  36   5.456  -7.110 -16.175
  259    H    ALA  37           H        ALA  37   5.461  -4.691 -16.942
  260    HA   ALA  37           HA       ALA  37   2.932  -4.248 -15.778
  261   1HB   ALA  37          3HB       ALA  37   5.371  -3.495 -15.080
  262   2HB   ALA  37          2HB       ALA  37   4.925  -2.033 -15.963
  263   3HB   ALA  37          1HB       ALA  37   3.956  -2.563 -14.586
  264    H    LEU  38           H        LEU  38   4.257  -3.342 -18.791
  265    HA   LEU  38           HA       LEU  38   2.879  -0.951 -19.328
  266   1HB   LEU  38          2HB       LEU  38   3.838  -3.142 -21.171
  267   2HB   LEU  38          1HB       LEU  38   3.245  -1.577 -21.712
  268    HG   LEU  38           HG       LEU  38   5.546  -1.923 -19.799
  269   1HD1  LEU  38          3HD1      LEU  38   5.493  -1.792 -22.793
  270   2HD1  LEU  38          2HD1      LEU  38   6.878  -1.174 -21.890
  271   3HD1  LEU  38          1HD1      LEU  38   6.411  -2.869 -21.739
  272   1HD2  LEU  38          3HD2      LEU  38   4.082   0.271 -20.113
  273   2HD2  LEU  38          2HD2      LEU  38   5.831   0.349 -19.890
  274   3HD2  LEU  38          1HD2      LEU  38   5.141   0.481 -21.509
  275    H    TRP  39           H        TRP  39   2.016  -4.343 -19.710
  276    HA   TRP  39           HA       TRP  39  -0.402  -4.004 -21.112
  277   1HB   TRP  39          2HB       TRP  39  -0.094  -6.185 -19.098
  278   2HB   TRP  39          1HB       TRP  39  -0.775  -6.247 -20.717
  279    HD1  TRP  39           HD1      TRP  39   1.568  -8.264 -19.589
  280    HE1  TRP  39           HE1      TRP  39   3.743  -8.395 -20.921
  281    HE3  TRP  39           HE3      TRP  39   1.291  -3.864 -22.198
  282    HZ2  TRP  39           HZ2      TRP  39   5.174  -6.889 -22.807
  283    HZ3  TRP  39           HZ3      TRP  39   3.104  -3.272 -23.754
  284    HH2  TRP  39           HH2      TRP  39   5.030  -4.770 -24.058
  285    H    LYS  40           H        LYS  40   0.503  -3.415 -17.864
  286    HA   LYS  40           HA       LYS  40  -2.304  -2.831 -17.149
  287   1HB   LYS  40          2HB       LYS  40  -1.603  -3.351 -14.781
  288   2HB   LYS  40          1HB       LYS  40  -1.680  -4.741 -15.862
  289   1HG   LYS  40          2HG       LYS  40   0.780  -4.523 -16.225
  290   2HG   LYS  40          1HG       LYS  40   0.806  -3.239 -15.020
  291   1HD   LYS  40          2HD       LYS  40  -0.217  -6.025 -14.463
  292   2HD   LYS  40          1HD       LYS  40   1.445  -5.523 -14.163
  293   1HE   LYS  40          2HE       LYS  40   0.885  -4.389 -12.297
  294   2HE   LYS  40          1HE       LYS  40  -0.553  -3.696 -13.042
  295   1HZ   LYS  40          3HZ       LYS  40  -0.589  -6.542 -12.374
  296   2HZ   LYS  40          2HZ       LYS  40  -0.707  -5.428 -11.097
  297   3HZ   LYS  40          1HZ       LYS  40  -1.850  -5.408 -12.354
  298    H    LYS  41           H        LYS  41  -0.535  -1.032 -18.386
  299    HA   LYS  41           HA       LYS  41   1.091   0.631 -17.074
  300   1HB   LYS  41          2HB       LYS  41  -0.667   0.890 -19.265
  301   2HB   LYS  41          1HB       LYS  41  -0.913   2.310 -18.251
  302   1HG   LYS  41          2HG       LYS  41   1.896   1.483 -18.743
  303   2HG   LYS  41          1HG       LYS  41   1.019   2.167 -20.109
  304   1HD   LYS  41          2HD       LYS  41   1.362   4.217 -19.293
  305   2HD   LYS  41          1HD       LYS  41   0.463   3.784 -17.841
  306   1HE   LYS  41          2HE       LYS  41   2.637   2.724 -17.008
  307   2HE   LYS  41          1HE       LYS  41   3.429   3.575 -18.331
  308   1HZ   LYS  41          3HZ       LYS  41   1.726   5.326 -16.902
  309   2HZ   LYS  41          2HZ       LYS  41   2.808   4.567 -15.834
  310   3HZ   LYS  41          1HZ       LYS  41   3.397   5.439 -17.168
  311    H    CYS  42           HN       CYS  42   1.074   1.302 -15.047
  312    HA   CYS  42           HA       CYS  42  -0.986   1.407 -13.246
  313   1HB   CYS  42          2HB       CYS  42   1.516   1.802 -12.883
  314   2HB   CYS  42          1HB       CYS  42   1.193   3.480 -13.288
   
  No H/Q in entry =         314
  Start of MODEL    2
    1   1H    CYS   1          1H        CYS   1   1.748  -0.257   0.726
    2   2H    CYS   1          3H        CYS   1   1.325   1.346   0.376
    3   3H    CYS   1          2H        CYS   1   0.348   0.073  -0.178
    4    HA   CYS   1           HA       CYS   1   1.946  -0.646  -1.719
    5   1HB   CYS   1          2HB       CYS   1   0.650   1.559  -2.157
    6   2HB   CYS   1          1HB       CYS   1   2.205   2.336  -1.895
    7    H    ALA   2           H        ALA   2   4.074  -0.138  -2.781
    8    HA   ALA   2           HA       ALA   2   6.100   0.725  -0.815
    9   1HB   ALA   2          2HB       ALA   2   5.847  -1.831  -1.145
   10   2HB   ALA   2          1HB       ALA   2   6.596  -1.548  -2.718
   11   3HB   ALA   2          3HB       ALA   2   7.465  -1.130  -1.240
   12    H    LYS   3           H        LYS   3   8.174   1.300  -1.850
   13    HA   LYS   3           HA       LYS   3   7.688   2.595  -4.456
   14   1HB   LYS   3          2HB       LYS   3   9.512   3.208  -2.146
   15   2HB   LYS   3          1HB       LYS   3   9.835   3.862  -3.750
   16   1HG   LYS   3          2HG       LYS   3   8.570   5.529  -2.666
   17   2HG   LYS   3          1HG       LYS   3   7.417   4.702  -3.711
   18   1HD   LYS   3          2HD       LYS   3   6.144   4.507  -1.866
   19   2HD   LYS   3          1HD       LYS   3   7.268   3.238  -1.387
   20   1HE   LYS   3          2HE       LYS   3   7.904   6.094  -0.748
   21   2HE   LYS   3          1HE       LYS   3   6.747   5.218   0.249
   22   1HZ   LYS   3          3HZ       LYS   3   9.525   4.345  -0.326
   23   2HZ   LYS   3          2HZ       LYS   3   9.002   5.075   1.116
   24   3HZ   LYS   3          1HZ       LYS   3   8.415   3.543   0.675
   25    H    LYS   4           H        LYS   4   9.893   2.890  -5.676
   26    HA   LYS   4           HA       LYS   4  10.750   0.288  -6.449
   27   1HB   LYS   4          2HB       LYS   4  11.578   3.079  -7.174
   28   2HB   LYS   4          1HB       LYS   4  12.495   1.691  -7.753
   29   1HG   LYS   4          2HG       LYS   4  10.530   0.782  -8.835
   30   2HG   LYS   4          1HG       LYS   4   9.519   2.050  -8.144
   31   1HD   LYS   4          2HD       LYS   4  11.644   3.340  -9.498
   32   2HD   LYS   4          1HD       LYS   4  11.040   2.083 -10.574
   33   1HE   LYS   4          2HE       LYS   4   9.676   3.892 -11.104
   34   2HE   LYS   4          1HE       LYS   4   8.694   3.006  -9.942
   35   1HZ   LYS   4          1HZ       LYS   4  10.495   5.012  -8.854
   36   2HZ   LYS   4          3HZ       LYS   4   9.183   5.597  -9.754
   37   3HZ   LYS   4          2HZ       LYS   4   8.909   4.610  -8.399
   38    H    ARG   5           H        ARG   5  12.728  -0.722  -6.168
   39    HA   ARG   5           HA       ARG   5  14.766  -1.227  -5.216
   40   1HB   ARG   5          2HB       ARG   5  14.768   1.461  -3.869
   41   2HB   ARG   5          1HB       ARG   5  16.143   0.460  -4.328
   42   1HG   ARG   5          2HG       ARG   5  16.273   1.549  -6.272
   43   2HG   ARG   5          1HG       ARG   5  14.655   0.986  -6.687
   44   1HD   ARG   5          2HD       ARG   5  13.681   2.973  -6.143
   45   2HD   ARG   5          1HD       ARG   5  14.792   3.270  -4.804
   46    HE   ARG   5           HE       ARG   5  16.169   3.468  -7.282
   47   1HH1  ARG   5          1HH2      ARG   5  13.856   5.100  -5.253
   48   2HH1  ARG   5          2HH2      ARG   5  14.259   6.680  -5.837
   49   1HH2  ARG   5          2HH1      ARG   5  16.705   5.549  -8.066
   50   2HH2  ARG   5          1HH1      ARG   5  15.879   6.936  -7.437
   51    H    ASN   6           H        ASN   6  11.934  -1.041  -3.851
   52    HA   ASN   6           HA       ASN   6  12.724  -1.253  -1.046
   53   1HB   ASN   6          2HB       ASN   6  10.083  -1.160  -2.486
   54   2HB   ASN   6          1HB       ASN   6  10.203  -1.571  -0.778
   55   1HD2  ASN   6          2HD2      ASN   6  11.267   2.206  -1.997
   56   2HD2  ASN   6          1HD2      ASN   6  11.445   0.854  -3.059
   57    H    TRP   7           H        TRP   7  13.224  -3.157  -0.181
   58    HA   TRP   7           HA       TRP   7  13.261  -5.592  -1.499
   59   1HB   TRP   7          2HB       TRP   7  13.319  -4.781   1.363
   60   2HB   TRP   7          1HB       TRP   7  13.121  -6.484   0.976
   61    HD1  TRP   7           HD1      TRP   7  15.140  -6.311  -1.676
   62    HE1  TRP   7           HE1      TRP   7  17.648  -6.242  -1.189
   63    HE3  TRP   7           HE3      TRP   7  15.048  -4.785   3.190
   64    HZ2  TRP   7           HZ2      TRP   7  19.382  -5.634   0.939
   65    HZ3  TRP   7           HZ3      TRP   7  17.168  -4.474   4.409
   66    HH2  TRP   7           HH2      TRP   7  19.320  -4.895   3.292
   67    H    CYS   8           H        CYS   8  11.757  -7.037  -2.037
   68    HA   CYS   8           HA       CYS   8   8.994  -6.554  -1.619
   69   1HB   CYS   8          2HB       CYS   8  10.387  -8.017  -3.397
   70   2HB   CYS   8          1HB       CYS   8   9.870  -9.295  -2.305
   71    H    GLY   9           H        GLY   9   7.756  -8.807  -0.948
   72   1HA   GLY   9          2HA       GLY   9   8.200 -10.572   0.906
   73   2HA   GLY   9          1HA       GLY   9   8.430  -9.130   1.896
   74    H    LYS  10           H        LYS  10   6.656  -9.422   3.226
   75    HA   LYS  10           HA       LYS  10   4.063 -10.113   2.369
   76   1HB   LYS  10          2HB       LYS  10   5.326  -9.518   4.810
   77   2HB   LYS  10          1HB       LYS  10   3.994  -8.373   4.665
   78   1HG   LYS  10          2HG       LYS  10   2.466 -10.273   4.186
   79   2HG   LYS  10          1HG       LYS  10   3.809 -11.384   4.442
   80   1HD   LYS  10          2HD       LYS  10   4.031 -10.209   6.747
   81   2HD   LYS  10          1HD       LYS  10   2.391  -9.646   6.439
   82   1HE   LYS  10          2HE       LYS  10   2.235 -11.675   7.708
   83   2HE   LYS  10          1HE       LYS  10   1.724 -12.035   6.061
   84   1HZ   LYS  10          3HZ       LYS  10   4.318 -12.562   5.891
   85   2HZ   LYS  10          2HZ       LYS  10   4.060 -12.944   7.526
   86   3HZ   LYS  10          1HZ       LYS  10   3.158 -13.726   6.316
   87    H    THR  11           H        THR  11   4.949  -6.924   3.666
   88    HA   THR  11           HA       THR  11   3.879  -4.886   3.295
   89    HB   THR  11           HB       THR  11   4.580  -3.968   1.185
   90    HG1  THR  11           HG1      THR  11   4.375  -5.237  -0.476
   91   1HG2  THR  11          2HG2      THR  11   6.358  -5.649   2.790
   92   2HG2  THR  11          1HG2      THR  11   6.979  -5.293   1.175
   93   3HG2  THR  11          3HG2      THR  11   6.549  -3.975   2.269
   94    H    GLU  12           H        GLU  12   2.837  -4.100   0.647
   95    HA   GLU  12           HA       GLU  12   0.463  -5.765   0.311
   96   1HB   GLU  12          2HB       GLU  12   0.323  -3.668   2.057
   97   2HB   GLU  12          1HB       GLU  12  -0.185  -2.910   0.549
   98   1HG   GLU  12          2HG       GLU  12  -2.135  -3.782   1.701
   99   2HG   GLU  12          1HG       GLU  12  -1.852  -4.732   0.243
  100    H    ASP  13           H        ASP  13   2.005  -5.922  -1.632
  101    HA   ASP  13           HA       ASP  13   2.332  -5.561  -3.873
  102   1HB   ASP  13          2HB       ASP  13   0.077  -3.614  -3.976
  103   2HB   ASP  13          1HB       ASP  13   0.502  -4.904  -5.102
  104    H    CYS  14           H        CYS  14   3.292  -4.084  -5.311
  105    HA   CYS  14           HA       CYS  14   4.399  -1.715  -4.018
  106   1HB   CYS  14          2HB       CYS  14   4.939  -2.630  -6.834
  107   2HB   CYS  14          1HB       CYS  14   5.952  -1.635  -5.800
  108    H    CYS  15           H        CYS  15   4.749   0.096  -5.893
  109    HA   CYS  15           HA       CYS  15   2.019   0.969  -6.525
  110   1HB   CYS  15          2HB       CYS  15   4.641   2.365  -6.126
  111   2HB   CYS  15          1HB       CYS  15   3.321   3.174  -6.953
  112    H    CYS  16           H        CYS  16   1.464   0.106  -8.452
  113    HA   CYS  16           HA       CYS  16   2.894  -0.654 -10.603
  114   1HB   CYS  16          2HB       CYS  16   0.938   0.203 -12.021
  115   2HB   CYS  16          1HB       CYS  16   0.598  -0.976 -10.768
  116    HA   PRO  17           HA       PRO  17   2.883  -0.674 -12.771
  117   1HB   PRO  17          2HB       PRO  17   5.010  -0.700 -14.444
  118   2HB   PRO  17          1HB       PRO  17   3.479   0.107 -14.824
  119   1HG   PRO  17          2HG       PRO  17   6.064   1.274 -13.984
  120   2HG   PRO  17          1HG       PRO  17   4.805   1.949 -15.028
  121   1HD   PRO  17          2HD       PRO  17   5.231   2.619 -12.358
  122   2HD   PRO  17          1HD       PRO  17   3.754   2.947 -13.286
  123    H    MET  18           H        MET  18   4.983   0.336 -10.524
  124    HA   MET  18           HA       MET  18   7.146  -1.449 -10.583
  125   1HB   MET  18          2HB       MET  18   5.716  -0.120  -8.287
  126   2HB   MET  18          1HB       MET  18   7.212  -1.026  -8.111
  127   1HG   MET  18          2HG       MET  18   8.468   0.597  -9.082
  128   2HG   MET  18          1HG       MET  18   7.204   1.039 -10.220
  129   1HE   MET  18          3HE       MET  18   6.424   0.554  -6.583
  130   2HE   MET  18          2HE       MET  18   7.980   1.291  -6.207
  131   3HE   MET  18          1HE       MET  18   6.491   2.160  -5.841
  132    H    LYS  19           H        LYS  19   7.297  -3.565 -10.217
  133    HA   LYS  19           HA       LYS  19   5.182  -4.925  -8.685
  134   1HB   LYS  19          2HB       LYS  19   4.810  -6.560 -10.302
  135   2HB   LYS  19          1HB       LYS  19   4.916  -5.081 -11.253
  136   1HG   LYS  19          2HG       LYS  19   6.486  -6.110 -12.477
  137   2HG   LYS  19          1HG       LYS  19   7.549  -5.971 -11.079
  138   1HD   LYS  19          2HD       LYS  19   7.549  -8.269 -11.744
  139   2HD   LYS  19          1HD       LYS  19   6.607  -8.157 -10.261
  140   1HE   LYS  19          2HE       LYS  19   5.215  -9.471 -11.546
  141   2HE   LYS  19          1HE       LYS  19   4.593  -7.869 -11.933
  142   1HZ   LYS  19          1HZ       LYS  19   6.726  -8.504 -13.661
  143   2HZ   LYS  19          3HZ       LYS  19   5.598  -9.771 -13.682
  144   3HZ   LYS  19          2HZ       LYS  19   5.101  -8.188 -14.043
  145    H    CYS  20           H        CYS  20   5.852  -6.797  -7.602
  146    HA   CYS  20           HA       CYS  20   8.368  -6.828  -6.481
  147   1HB   CYS  20          2HB       CYS  20   6.321  -8.120  -5.748
  148   2HB   CYS  20          1HB       CYS  20   6.737  -9.315  -6.970
  149    H    VAL  21           H        VAL  21  10.227  -6.889  -7.546
  150    HA   VAL  21           HA       VAL  21  10.544  -8.801  -9.774
  151    HB   VAL  21           HB       VAL  21  11.919  -6.196  -9.151
  152   1HG1  VAL  21          3HG1      VAL  21  12.625  -8.259 -11.238
  153   2HG1  VAL  21          2HG1      VAL  21  13.231  -6.601 -11.227
  154   3HG1  VAL  21          1HG1      VAL  21  13.639  -7.698  -9.906
  155   1HG2  VAL  21          1HG2      VAL  21   9.610  -6.543 -10.437
  156   2HG2  VAL  21          3HG2      VAL  21  10.777  -5.313 -10.926
  157   3HG2  VAL  21          2HG2      VAL  21  10.706  -6.852 -11.786
  158    H    TYR  22           H        TYR  22  12.816  -9.649  -9.996
  159    HA   TYR  22           HA       TYR  22  13.782 -10.516  -7.357
  160   1HB   TYR  22          2HB       TYR  22  13.046 -12.124  -9.243
  161   2HB   TYR  22          1HB       TYR  22  14.574 -11.697 -10.002
  162    HD1  TYR  22           HD1      TYR  22  13.206 -12.853  -6.729
  163    HD2  TYR  22           HD2      TYR  22  16.447 -12.958  -9.503
  164    HE1  TYR  22           HE1      TYR  22  14.352 -14.526  -5.329
  165    HE2  TYR  22           HE2      TYR  22  17.591 -14.630  -8.100
  166    HH   TYR  22           HH       TYR  22  17.440 -15.207  -5.427
  167    H    ALA  23           H        ALA  23  16.117 -10.725  -7.069
  168    HA   ALA  23           HA       ALA  23  17.602  -8.697  -8.618
  169   1HB   ALA  23          2HB       ALA  23  17.813  -9.409  -5.687
  170   2HB   ALA  23          1HB       ALA  23  18.956  -8.362  -6.533
  171   3HB   ALA  23          3HB       ALA  23  17.266  -7.879  -6.378
  172    H    TRP  24           H        TRP  24  19.339 -10.476  -6.250
  173    HA   TRP  24           HA       TRP  24  20.131 -12.624  -8.017
  174   1HB   TRP  24          2HB       TRP  24  22.620 -11.751  -7.495
  175   2HB   TRP  24          1HB       TRP  24  21.753 -11.375  -8.976
  176    HD1  TRP  24           HD1      TRP  24  20.246  -8.890  -8.732
  177    HE1  TRP  24           HE1      TRP  24  21.127  -6.712  -7.735
  178    HE3  TRP  24           HE3      TRP  24  24.164 -10.688  -5.966
  179    HZ2  TRP  24           HZ2      TRP  24  23.171  -5.829  -6.031
  180    HZ3  TRP  24           HZ3      TRP  24  25.546  -9.113  -4.675
  181    HH2  TRP  24           HH2      TRP  24  25.057  -6.705  -4.704
  182    H    TYR  25           H        TYR  25  21.943 -11.023  -5.442
  183    HA   TYR  25           HA       TYR  25  22.037 -13.491  -3.935
  184   1HB   TYR  25          2HB       TYR  25  23.839 -12.589  -2.847
  185   2HB   TYR  25          1HB       TYR  25  23.926 -11.709  -4.363
  186    HD1  TYR  25           HD1      TYR  25  22.310  -9.513  -4.318
  187    HD2  TYR  25           HD2      TYR  25  24.174 -11.347  -0.946
  188    HE1  TYR  25           HE1      TYR  25  22.157  -7.390  -3.078
  189    HE2  TYR  25           HE2      TYR  25  24.019  -9.221   0.292
  190    HH   TYR  25           HH       TYR  25  23.620  -7.004   0.100
  191    H    ASN  26           H        ASN  26  19.625 -11.565  -4.258
  192    HA   ASN  26           HA       ASN  26  18.805 -11.693  -1.450
  193   1HB   ASN  26          2HB       ASN  26  19.069  -9.234  -3.114
  194   2HB   ASN  26          1HB       ASN  26  17.672  -9.360  -2.045
  195   1HD2  ASN  26          2HD2      ASN  26  20.910  -7.991  -0.446
  196   2HD2  ASN  26          1HD2      ASN  26  20.308  -7.787  -2.052
  197    H    GLU  27           H        GLU  27  17.470 -13.394  -2.046
  198    HA   GLU  27           HA       GLU  27  15.735 -13.490  -4.230
  199   1HB   GLU  27          2HB       GLU  27  16.283 -15.418  -2.780
  200   2HB   GLU  27          1HB       GLU  27  15.298 -14.708  -1.502
  201   1HG   GLU  27          2HG       GLU  27  13.492 -14.659  -3.477
  202   2HG   GLU  27          1HG       GLU  27  14.465 -16.021  -4.038
  203    H    GLN  28           H        GLN  28  15.520 -11.687  -1.292
  204    HA   GLN  28           HA       GLN  28  12.750 -11.325  -1.081
  205   1HB   GLN  28          2HB       GLN  28  13.320  -9.287   0.173
  206   2HB   GLN  28          1HB       GLN  28  14.290 -10.663   0.681
  207   1HG   GLN  28          2HG       GLN  28  16.071  -9.818  -0.934
  208   2HG   GLN  28          1HG       GLN  28  15.123  -8.335  -1.048
  209   1HE2  GLN  28          2HE2      GLN  28  17.651  -8.790   1.965
  210   2HE2  GLN  28          1HE2      GLN  28  17.659  -9.695   0.493
  211    H    GLY  29           H        GLY  29  14.917 -10.285  -3.474
  212   1HA   GLY  29          2HA       GLY  29  14.800  -8.751  -5.196
  213   2HA   GLY  29          1HA       GLY  29  13.121  -9.285  -5.266
  214    H    SER  30           H        SER  30  12.885  -6.997  -6.040
  215    HA   SER  30           HA       SER  30  11.963  -5.352  -3.842
  216   1HB   SER  30          2HB       SER  30  13.251  -3.354  -4.883
  217   2HB   SER  30          1HB       SER  30  14.085  -4.430  -3.771
  218    HG   SER  30           HG       SER  30  14.725  -5.595  -5.790
  219    H    CYS  31           H        CYS  31  10.746  -3.488  -4.594
  220    HA   CYS  31           HA       CYS  31   9.075  -4.135  -6.811
  221   1HB   CYS  31          2HB       CYS  31   9.304  -1.615  -5.164
  222   2HB   CYS  31          1HB       CYS  31   8.026  -1.946  -6.319
  223    H    GLN  32           H        GLN  32   9.483  -3.752  -8.887
  224    HA   GLN  32           HA       GLN  32  10.843  -1.294  -9.691
  225   1HB   GLN  32          2HB       GLN  32  11.907  -4.059 -10.148
  226   2HB   GLN  32          1HB       GLN  32  12.240  -2.774 -11.305
  227   1HG   GLN  32          2HG       GLN  32  13.327  -1.447  -9.623
  228   2HG   GLN  32          1HG       GLN  32  12.816  -2.552  -8.346
  229   1HE2  GLN  32          2HE2      GLN  32  15.512  -4.695  -8.730
  230   2HE2  GLN  32          1HE2      GLN  32  14.128  -4.189  -7.828
  231    H    SER  33           H        SER  33  10.017  -0.481 -11.521
  232    HA   SER  33           HA       SER  33   7.680  -1.572 -12.668
  233   1HB   SER  33          2HB       SER  33   7.666   0.318 -14.045
  234   2HB   SER  33          1HB       SER  33   8.481   0.869 -12.588
  235    HG   SER  33           HG       SER  33   9.396   0.890 -15.082
  236    H    THR  34           H        THR  34   7.609  -3.325 -13.901
  237    HA   THR  34           HA       THR  34   9.886  -4.041 -15.582
  238    HB   THR  34           HB       THR  34   9.053  -6.221 -15.607
  239    HG1  THR  34           HG1      THR  34   6.565  -5.119 -14.791
  240   1HG2  THR  34          1HG2      THR  34   9.796  -5.387 -13.343
  241   2HG2  THR  34          3HG2      THR  34   8.088  -5.216 -12.935
  242   3HG2  THR  34          2HG2      THR  34   8.745  -6.807 -13.320
  243    H    ILE  35           H        ILE  35   9.504  -4.776 -17.776
  244    HA   ILE  35           HA       ILE  35   8.032  -2.923 -19.302
  245    HB   ILE  35           HB       ILE  35   9.420  -5.510 -19.882
  246   1HG1  ILE  35          2HG1      ILE  35  10.546  -3.229 -19.514
  247   2HG1  ILE  35          1HG1      ILE  35  11.018  -4.169 -20.926
  248   1HG2  ILE  35          1HG2      ILE  35   7.728  -3.910 -21.794
  249   2HG2  ILE  35          3HG2      ILE  35   8.985  -5.031 -22.319
  250   3HG2  ILE  35          2HG2      ILE  35   7.599  -5.627 -21.405
  251   1HD1  ILE  35          1HD1      ILE  35   9.433  -2.844 -22.302
  252   2HD1  ILE  35          3HD1      ILE  35   9.050  -1.870 -20.881
  253   3HD1  ILE  35          2HD1      ILE  35  10.679  -1.838 -21.559
  254    H    SER  36           H        SER  36   7.303  -6.139 -18.094
  255    HA   SER  36           HA       SER  36   4.974  -6.632 -19.615
  256   1HB   SER  36          2HB       SER  36   4.593  -8.419 -18.154
  257   2HB   SER  36          1HB       SER  36   6.342  -8.236 -18.130
  258    HG   SER  36           HG       SER  36   6.233  -7.433 -16.116
  259    H    ALA  37           H        ALA  37   5.659  -4.510 -17.024
  260    HA   ALA  37           HA       ALA  37   3.108  -4.275 -15.833
  261   1HB   ALA  37          3HB       ALA  37   5.461  -3.342 -15.119
  262   2HB   ALA  37          2HB       ALA  37   4.951  -1.929 -16.046
  263   3HB   ALA  37          1HB       ALA  37   3.988  -2.479 -14.672
  264    H    LEU  38           H        LEU  38   4.306  -3.331 -18.873
  265    HA   LEU  38           HA       LEU  38   2.776  -1.030 -19.408
  266   1HB   LEU  38          2HB       LEU  38   3.921  -3.178 -21.186
  267   2HB   LEU  38          1HB       LEU  38   3.080  -1.766 -21.815
  268    HG   LEU  38           HG       LEU  38   5.450  -1.609 -19.962
  269   1HD1  LEU  38          2HD1      LEU  38   5.761  -2.667 -22.347
  270   2HD1  LEU  38          1HD1      LEU  38   5.657  -0.986 -22.873
  271   3HD1  LEU  38          3HD1      LEU  38   6.912  -1.476 -21.734
  272   1HD2  LEU  38          2HD2      LEU  38   3.617   0.300 -20.501
  273   2HD2  LEU  38          1HD2      LEU  38   5.311   0.649 -20.146
  274   3HD2  LEU  38          3HD2      LEU  38   4.754   0.584 -21.820
  275    H    TRP  39           H        TRP  39   2.103  -4.470 -19.654
  276    HA   TRP  39           HA       TRP  39  -0.363  -4.310 -21.019
  277   1HB   TRP  39          2HB       TRP  39   0.123  -6.427 -18.974
  278   2HB   TRP  39          1HB       TRP  39  -0.577  -6.563 -20.581
  279    HD1  TRP  39           HD1      TRP  39   1.925  -8.386 -19.428
  280    HE1  TRP  39           HE1      TRP  39   4.076  -8.411 -20.804
  281    HE3  TRP  39           HE3      TRP  39   1.285  -4.109 -22.175
  282    HZ2  TRP  39           HZ2      TRP  39   5.360  -6.876 -22.771
  283    HZ3  TRP  39           HZ3      TRP  39   3.021  -3.447 -23.790
  284    HH2  TRP  39           HH2      TRP  39   5.041  -4.816 -24.088
  285    H    LYS  40           H        LYS  40   0.596  -3.615 -17.806
  286    HA   LYS  40           HA       LYS  40  -2.209  -3.108 -17.041
  287   1HB   LYS  40          2HB       LYS  40  -1.556  -3.701 -14.707
  288   2HB   LYS  40          1HB       LYS  40  -1.498  -5.066 -15.820
  289   1HG   LYS  40          2HG       LYS  40   0.950  -4.700 -16.071
  290   2HG   LYS  40          1HG       LYS  40   0.853  -3.421 -14.864
  291   1HD   LYS  40          2HD       LYS  40  -0.040  -6.256 -14.336
  292   2HD   LYS  40          1HD       LYS  40   1.594  -5.686 -14.007
  293   1HE   LYS  40          2HE       LYS  40  -0.709  -4.131 -12.916
  294   2HE   LYS  40          1HE       LYS  40  -0.271  -5.646 -12.134
  295   1HZ   LYS  40          2HZ       LYS  40   1.740  -3.560 -12.710
  296   2HZ   LYS  40          1HZ       LYS  40   0.811  -3.532 -11.288
  297   3HZ   LYS  40          3HZ       LYS  40   1.834  -4.847 -11.605
  298    H    LYS  41           H        LYS  41  -0.395  -1.313 -18.257
  299    HA   LYS  41           HA       LYS  41   1.193   0.334 -16.844
  300   1HB   LYS  41          2HB       LYS  41   0.444   0.656 -19.210
  301   2HB   LYS  41          1HB       LYS  41  -1.040   1.373 -18.587
  302   1HG   LYS  41          2HG       LYS  41   0.000   3.342 -18.432
  303   2HG   LYS  41          1HG       LYS  41   1.117   2.644 -17.262
  304   1HD   LYS  41          2HD       LYS  41   1.849   1.811 -19.915
  305   2HD   LYS  41          1HD       LYS  41   1.695   3.566 -19.867
  306   1HE   LYS  41          2HE       LYS  41   3.124   2.344 -17.587
  307   2HE   LYS  41          1HE       LYS  41   3.937   2.229 -19.146
  308   1HZ   LYS  41          3HZ       LYS  41   2.817   4.824 -18.524
  309   2HZ   LYS  41          2HZ       LYS  41   4.096   4.336 -17.519
  310   3HZ   LYS  41          1HZ       LYS  41   4.319   4.421 -19.201
  311    H    CYS  42           HN       CYS  42   1.026   1.046 -14.839
  312    HA   CYS  42           HA       CYS  42  -1.065   1.192 -13.137
  313   1HB   CYS  42          2HB       CYS  42   1.378   1.822 -12.737
  314   2HB   CYS  42          1HB       CYS  42   0.944   3.428 -13.292
   
  No H/Q in entry =         314
  Start of MODEL    3
    1   1H    CYS   1          1H        CYS   1   2.719  -0.502   1.354
    2   2H    CYS   1          3H        CYS   1   1.246  -0.675   0.531
    3   3H    CYS   1          2H        CYS   1   2.234  -2.031   0.794
    4    HA   CYS   1           HA       CYS   1   3.135  -1.704  -1.177
    5   1HB   CYS   1          2HB       CYS   1   1.022  -0.224  -1.521
    6   2HB   CYS   1          1HB       CYS   1   2.142   1.118  -1.347
    7    H    ALA   2           H        ALA   2   4.800  -0.321  -2.339
    8    HA   ALA   2           HA       ALA   2   6.294   1.470  -0.570
    9   1HB   ALA   2          3HB       ALA   2   6.996  -1.181  -0.699
   10   2HB   ALA   2          2HB       ALA   2   8.025  -0.458  -1.938
   11   3HB   ALA   2          1HB       ALA   2   8.088   0.140  -0.278
   12    H    LYS   3           H        LYS   3   8.533   1.828  -2.041
   13    HA   LYS   3           HA       LYS   3   7.488   2.791  -4.634
   14   1HB   LYS   3          2HB       LYS   3   9.469   3.946  -2.696
   15   2HB   LYS   3          1HB       LYS   3   9.514   4.397  -4.399
   16   1HG   LYS   3          2HG       LYS   3   8.092   6.021  -3.639
   17   2HG   LYS   3          1HG       LYS   3   6.909   4.762  -3.981
   18   1HD   LYS   3          2HD       LYS   3   7.930   4.347  -1.347
   19   2HD   LYS   3          1HD       LYS   3   7.460   6.038  -1.499
   20   1HE   LYS   3          2HE       LYS   3   5.296   5.047  -2.590
   21   2HE   LYS   3          1HE       LYS   3   5.778   3.571  -1.758
   22   1HZ   LYS   3          1HZ       LYS   3   5.661   6.123  -0.297
   23   2HZ   LYS   3          3HZ       LYS   3   4.240   5.242  -0.580
   24   3HZ   LYS   3          2HZ       LYS   3   5.514   4.539   0.297
   25    H    LYS   4           H        LYS   4   9.730   3.364  -5.974
   26    HA   LYS   4           HA       LYS   4  10.685   0.797  -6.779
   27   1HB   LYS   4          2HB       LYS   4  11.354   3.627  -7.543
   28   2HB   LYS   4          1HB       LYS   4  12.291   2.271  -8.169
   29   1HG   LYS   4          2HG       LYS   4   9.993   1.283  -8.840
   30   2HG   LYS   4          1HG       LYS   4   9.390   2.922  -8.610
   31   1HD   LYS   4          2HD       LYS   4  11.839   2.579 -10.265
   32   2HD   LYS   4          1HD       LYS   4  10.306   2.062 -10.964
   33   1HE   LYS   4          2HE       LYS   4   9.362   4.257 -10.672
   34   2HE   LYS   4          1HE       LYS   4  10.766   4.793  -9.754
   35   1HZ   LYS   4          3HZ       LYS   4  12.072   4.250 -11.843
   36   2HZ   LYS   4          2HZ       LYS   4  10.573   4.199 -12.641
   37   3HZ   LYS   4          1HZ       LYS   4  11.089   5.630 -11.884
   38    H    ARG   5           H        ARG   5  12.765  -0.059  -6.610
   39    HA   ARG   5           HA       ARG   5  14.895  -0.367  -5.760
   40   1HB   ARG   5          2HB       ARG   5  14.610   2.237  -4.274
   41   2HB   ARG   5          1HB       ARG   5  16.090   1.405  -4.742
   42   1HG   ARG   5          2HG       ARG   5  16.137   2.606  -6.623
   43   2HG   ARG   5          1HG       ARG   5  14.623   1.852  -7.117
   44   1HD   ARG   5          2HD       ARG   5  13.409   3.698  -6.629
   45   2HD   ARG   5          1HD       ARG   5  14.308   4.013  -5.145
   46    HE   ARG   5           HE       ARG   5  14.959   5.000  -7.823
   47   1HH1  ARG   5          1HH2      ARG   5  16.017   4.451  -4.551
   48   2HH1  ARG   5          2HH2      ARG   5  17.129   5.777  -4.548
   49   1HH2  ARG   5          2HH1      ARG   5  16.353   6.816  -7.794
   50   2HH2  ARG   5          1HH1      ARG   5  17.321   7.121  -6.389
   51    H    ASN   6           H        ASN   6  12.046  -0.352  -4.243
   52    HA   ASN   6           HA       ASN   6  12.986  -0.783  -1.519
   53   1HB   ASN   6          2HB       ASN   6  10.266  -0.781  -2.826
   54   2HB   ASN   6          1HB       ASN   6  10.515  -1.239  -1.144
   55   1HD2  ASN   6          2HD2      ASN   6  11.289   2.639  -2.266
   56   2HD2  ASN   6          1HD2      ASN   6  11.525   1.338  -3.378
   57    H    TRP   7           H        TRP   7  11.838  -2.813  -0.460
   58    HA   TRP   7           HA       TRP   7  12.778  -5.115  -1.991
   59   1HB   TRP   7          2HB       TRP   7  12.126  -4.595   0.872
   60   2HB   TRP   7          1HB       TRP   7  12.119  -6.249   0.274
   61    HD1  TRP   7           HD1      TRP   7  14.680  -5.955  -1.723
   62    HE1  TRP   7           HE1      TRP   7  17.000  -5.768  -0.672
   63    HE3  TRP   7           HE3      TRP   7  13.400  -4.427   2.982
   64    HZ2  TRP   7           HZ2      TRP   7  18.169  -5.078   1.789
   65    HZ3  TRP   7           HZ3      TRP   7  15.171  -4.019   4.646
   66    HH2  TRP   7           HH2      TRP   7  17.537  -4.341   4.056
   67    H    CYS   8           H        CYS   8  11.500  -6.948  -2.395
   68    HA   CYS   8           HA       CYS   8   9.071  -6.711  -3.513
   69   1HB   CYS   8          2HB       CYS   8  10.441  -8.797  -3.374
   70   2HB   CYS   8          1HB       CYS   8   9.798  -9.057  -1.759
   71    H    GLY   9           H        GLY   9   7.014  -6.368  -2.942
   72   1HA   GLY   9          2HA       GLY   9   6.357  -5.381  -0.378
   73   2HA   GLY   9          1HA       GLY   9   5.208  -5.770  -1.657
   74    H    LYS  10           H        LYS  10   4.548  -8.018  -1.883
   75    HA   LYS  10           HA       LYS  10   3.986 -10.126  -1.108
   76   1HB   LYS  10          2HB       LYS  10   6.351  -9.774   0.147
   77   2HB   LYS  10          1HB       LYS  10   5.267  -9.797   1.537
   78   1HG   LYS  10          2HG       LYS  10   4.266 -11.913   0.361
   79   2HG   LYS  10          1HG       LYS  10   5.814 -11.945  -0.478
   80   1HD   LYS  10          2HD       LYS  10   6.834 -12.812   1.313
   81   2HD   LYS  10          1HD       LYS  10   6.223 -11.519   2.342
   82   1HE   LYS  10          2HE       LYS  10   5.365 -13.511   3.277
   83   2HE   LYS  10          1HE       LYS  10   4.019 -12.801   2.392
   84   1HZ   LYS  10          3HZ       LYS  10   5.748 -14.708   0.998
   85   2HZ   LYS  10          2HZ       LYS  10   4.643 -15.313   2.138
   86   3HZ   LYS  10          1HZ       LYS  10   4.088 -14.413   0.809
   87    H    THR  11           H        THR  11   4.149  -7.704   1.498
   88    HA   THR  11           HA       THR  11   2.017  -8.514   3.054
   89    HB   THR  11           HB       THR  11   1.773  -6.099   3.650
   90    HG1  THR  11           HG1      THR  11   2.698  -4.610   2.451
   91   1HG2  THR  11          3HG2      THR  11   3.790  -7.810   4.283
   92   2HG2  THR  11          2HG2      THR  11   4.698  -6.440   3.636
   93   3HG2  THR  11          1HG2      THR  11   3.592  -6.206   4.990
   94    H    GLU  12           H        GLU  12   1.954  -6.283   0.284
   95    HA   GLU  12           HA       GLU  12  -0.851  -7.029  -0.191
   96   1HB   GLU  12          2HB       GLU  12   0.244  -4.255   0.159
   97   2HB   GLU  12          1HB       GLU  12  -1.182  -4.547  -0.834
   98   1HG   GLU  12          2HG       GLU  12  -0.883  -5.373   2.063
   99   2HG   GLU  12          1HG       GLU  12  -1.768  -3.954   1.499
  100    H    ASP  13           H        ASP  13   1.715  -4.935  -1.539
  101    HA   ASP  13           HA       ASP  13   2.519  -6.265  -3.732
  102   1HB   ASP  13          2HB       ASP  13  -0.303  -5.493  -4.037
  103   2HB   ASP  13          1HB       ASP  13   0.730  -5.042  -5.394
  104    H    CYS  14           H        CYS  14   3.995  -5.018  -4.789
  105    HA   CYS  14           HA       CYS  14   4.679  -2.469  -3.956
  106   1HB   CYS  14          2HB       CYS  14   5.073  -3.644  -6.719
  107   2HB   CYS  14          1HB       CYS  14   5.911  -2.235  -6.091
  108    H    CYS  15           H        CYS  15   4.694  -0.517  -5.565
  109    HA   CYS  15           HA       CYS  15   1.877   0.010  -6.187
  110   1HB   CYS  15          2HB       CYS  15   4.270   1.761  -5.697
  111   2HB   CYS  15          1HB       CYS  15   2.790   2.403  -6.394
  112    H    CYS  16           H        CYS  16   1.445  -0.746  -8.181
  113    HA   CYS  16           HA       CYS  16   2.946  -1.174 -10.361
  114   1HB   CYS  16          2HB       CYS  16   0.923  -0.398 -11.739
  115   2HB   CYS  16          1HB       CYS  16   0.699  -1.708 -10.595
  116    HA   PRO  17           HA       PRO  17   2.915  -1.034 -12.533
  117   1HB   PRO  17          2HB       PRO  17   5.034  -0.746 -14.189
  118   2HB   PRO  17          1HB       PRO  17   3.437  -0.055 -14.521
  119   1HG   PRO  17          2HG       PRO  17   5.907   1.275 -13.574
  120   2HG   PRO  17          1HG       PRO  17   4.597   1.908 -14.584
  121   1HD   PRO  17          2HD       PRO  17   4.943   2.430 -11.872
  122   2HD   PRO  17          1HD       PRO  17   3.443   2.674 -12.789
  123    H    MET  18           H        MET  18   4.969   0.057 -10.250
  124    HA   MET  18           HA       MET  18   7.285  -1.471 -10.387
  125   1HB   MET  18          2HB       MET  18   5.664  -0.628  -7.984
  126   2HB   MET  18          1HB       MET  18   7.298  -1.277  -7.909
  127   1HG   MET  18          2HG       MET  18   7.929   0.606  -9.530
  128   2HG   MET  18          1HG       MET  18   6.370   1.311  -9.126
  129   1HE   MET  18          1HE       MET  18   5.711   0.714  -6.601
  130   2HE   MET  18          3HE       MET  18   6.841   0.780  -5.239
  131   3HE   MET  18          2HE       MET  18   6.158   2.267  -5.897
  132    H    LYS  19           H        LYS  19   7.584  -3.585 -10.457
  133    HA   LYS  19           HA       LYS  19   5.576  -5.360  -9.209
  134   1HB   LYS  19          2HB       LYS  19   5.748  -5.323 -11.776
  135   2HB   LYS  19          1HB       LYS  19   7.292  -6.141 -11.550
  136   1HG   LYS  19          2HG       LYS  19   5.678  -7.623  -9.935
  137   2HG   LYS  19          1HG       LYS  19   4.547  -7.156 -11.201
  138   1HD   LYS  19          2HD       LYS  19   5.561  -9.243 -11.836
  139   2HD   LYS  19          1HD       LYS  19   6.196  -7.981 -12.890
  140   1HE   LYS  19          2HE       LYS  19   8.100  -7.841 -11.093
  141   2HE   LYS  19          1HE       LYS  19   7.556  -9.462 -10.670
  142   1HZ   LYS  19          3HZ       LYS  19   7.725  -9.729 -13.280
  143   2HZ   LYS  19          2HZ       LYS  19   8.892  -8.512 -13.079
  144   3HZ   LYS  19          1HZ       LYS  19   9.052  -9.990 -12.257
  145    H    CYS  20           H        CYS  20   6.305  -6.957  -7.908
  146    HA   CYS  20           HA       CYS  20   8.872  -6.757  -6.746
  147   1HB   CYS  20          2HB       CYS  20   7.163  -7.651  -5.399
  148   2HB   CYS  20          1HB       CYS  20   6.678  -8.809  -6.629
  149    H    VAL  21           H        VAL  21  10.632  -7.113  -7.966
  150    HA   VAL  21           HA       VAL  21  10.713  -9.470  -9.729
  151    HB   VAL  21           HB       VAL  21  12.415  -6.984  -9.628
  152   1HG1  VAL  21          3HG1      VAL  21  12.617  -9.442 -11.358
  153   2HG1  VAL  21          2HG1      VAL  21  13.345  -7.895 -11.796
  154   3HG1  VAL  21          1HG1      VAL  21  13.860  -8.729 -10.328
  155   1HG2  VAL  21          2HG2      VAL  21  10.032  -6.896 -10.560
  156   2HG2  VAL  21          1HG2      VAL  21  11.326  -6.314 -11.610
  157   3HG2  VAL  21          3HG2      VAL  21  10.632  -7.915 -11.869
  158    H    TYR  22           H        TYR  22  12.879 -10.551  -9.868
  159    HA   TYR  22           HA       TYR  22  13.951 -10.973  -7.157
  160   1HB   TYR  22          2HB       TYR  22  12.902 -12.853  -8.580
  161   2HB   TYR  22          1HB       TYR  22  14.381 -12.769  -9.528
  162    HD1  TYR  22           HD1      TYR  22  16.549 -12.557  -7.801
  163    HD2  TYR  22           HD2      TYR  22  12.864 -14.591  -7.093
  164    HE1  TYR  22           HE1      TYR  22  17.669 -14.022  -6.163
  165    HE2  TYR  22           HE2      TYR  22  13.987 -16.052  -5.456
  166    HH   TYR  22           HH       TYR  22  17.434 -15.667  -4.699
  167    H    ALA  23           H        ALA  23  16.000 -10.448  -6.713
  168    HA   ALA  23           HA       ALA  23  17.641  -9.299  -8.835
  169   1HB   ALA  23          1HB       ALA  23  17.883  -9.354  -5.825
  170   2HB   ALA  23          3HB       ALA  23  19.130  -8.681  -6.877
  171   3HB   ALA  23          2HB       ALA  23  17.514  -7.971  -6.857
  172    H    TRP  24           H        TRP  24  19.317 -10.693  -6.171
  173    HA   TRP  24           HA       TRP  24  19.898 -13.213  -7.452
  174   1HB   TRP  24          2HB       TRP  24  22.463 -12.465  -7.181
  175   2HB   TRP  24          1HB       TRP  24  21.575 -12.338  -8.692
  176    HD1  TRP  24           HD1      TRP  24  20.303  -9.740  -8.980
  177    HE1  TRP  24           HE1      TRP  24  21.394  -7.486  -8.487
  178    HE3  TRP  24           HE3      TRP  24  24.123 -11.242  -5.915
  179    HZ2  TRP  24           HZ2      TRP  24  23.551  -6.443  -7.030
  180    HZ3  TRP  24           HZ3      TRP  24  25.670  -9.555  -5.007
  181    HH2  TRP  24           HH2      TRP  24  25.388  -7.175  -5.558
  182    H    TYR  25           H        TYR  25  21.758 -11.128  -5.272
  183    HA   TYR  25           HA       TYR  25  21.897 -13.229  -3.300
  184   1HB   TYR  25          2HB       TYR  25  23.590 -12.018  -2.342
  185   2HB   TYR  25          1HB       TYR  25  23.707 -11.459  -4.001
  186    HD1  TYR  25           HD2      TYR  25  22.329  -9.311  -4.571
  187    HD2  TYR  25           HD1      TYR  25  23.438 -10.482  -0.619
  188    HE1  TYR  25           HE2      TYR  25  22.030  -6.991  -3.796
  189    HE2  TYR  25           HE1      TYR  25  23.138  -8.160   0.151
  190    HH   TYR  25           HH       TYR  25  21.662  -6.103  -0.731
  191    H    ASN  26           H        ASN  26  19.479 -11.312  -4.105
  192    HA   ASN  26           HA       ASN  26  18.533 -10.993  -1.334
  193   1HB   ASN  26          2HB       ASN  26  18.828  -8.954  -3.435
  194   2HB   ASN  26          1HB       ASN  26  17.253  -8.974  -2.643
  195   1HD2  ASN  26          2HD2      ASN  26  20.626  -8.112  -0.479
  196   2HD2  ASN  26          1HD2      ASN  26  20.722  -9.027  -1.939
  197    H    GLU  27           H        GLU  27  17.469 -13.032  -1.752
  198    HA   GLU  27           HA       GLU  27  15.654 -13.489  -3.849
  199   1HB   GLU  27          2HB       GLU  27  16.520 -15.246  -2.331
  200   2HB   GLU  27          1HB       GLU  27  15.529 -14.581  -1.034
  201   1HG   GLU  27          2HG       GLU  27  13.507 -14.982  -2.420
  202   2HG   GLU  27          1HG       GLU  27  14.528 -15.732  -3.647
  203    H    GLN  28           H        GLN  28  15.485 -11.352  -1.220
  204    HA   GLN  28           HA       GLN  28  12.668 -11.320  -0.799
  205   1HB   GLN  28          2HB       GLN  28  13.111  -9.228   0.392
  206   2HB   GLN  28          1HB       GLN  28  14.234 -10.493   0.877
  207   1HG   GLN  28          2HG       GLN  28  15.674  -9.403  -1.101
  208   2HG   GLN  28          1HG       GLN  28  14.732  -7.985  -0.638
  209   1HE2  GLN  28          2HE2      GLN  28  17.517  -9.566   1.902
  210   2HE2  GLN  28          1HE2      GLN  28  16.951 -10.445   0.526
  211    H    GLY  29           H        GLY  29  14.421 -10.503  -3.471
  212   1HA   GLY  29          2HA       GLY  29  14.090  -9.166  -5.309
  213   2HA   GLY  29          1HA       GLY  29  12.384  -9.461  -4.982
  214    H    SER  30           H        SER  30  12.527  -7.210  -6.066
  215    HA   SER  30           HA       SER  30  12.147  -5.234  -3.964
  216   1HB   SER  30          2HB       SER  30  13.539  -3.596  -5.422
  217   2HB   SER  30          1HB       SER  30  14.366  -4.674  -4.309
  218    HG   SER  30           HG       SER  30  15.305  -4.687  -6.429
  219    H    CYS  31           H        CYS  31  11.073  -3.311  -4.743
  220    HA   CYS  31           HA       CYS  31   9.129  -3.924  -6.791
  221   1HB   CYS  31          2HB       CYS  31   9.583  -1.446  -5.123
  222   2HB   CYS  31          1HB       CYS  31   8.223  -1.691  -6.201
  223    H    GLN  32           H        GLN  32   9.544  -3.608  -8.881
  224    HA   GLN  32           HA       GLN  32  10.873  -1.153  -9.753
  225   1HB   GLN  32          2HB       GLN  32  11.898  -3.932 -10.261
  226   2HB   GLN  32          1HB       GLN  32  12.248  -2.608 -11.371
  227   1HG   GLN  32          2HG       GLN  32  13.264  -1.331  -9.534
  228   2HG   GLN  32          1HG       GLN  32  12.901  -2.646  -8.415
  229   1HE2  GLN  32          1HE2      GLN  32  14.937  -3.299  -7.912
  230   2HE2  GLN  32          2HE2      GLN  32  16.074  -3.924  -9.052
  231    H    SER  33           H        SER  33   9.769  -0.309 -11.388
  232    HA   SER  33           HA       SER  33   7.512  -1.532 -12.545
  233   1HB   SER  33          2HB       SER  33   7.843   0.381 -14.264
  234   2HB   SER  33          1HB       SER  33   7.477   0.792 -12.594
  235    HG   SER  33           HG       SER  33   9.229   2.019 -13.042
  236    H    THR  34           H        THR  34   7.549  -3.228 -13.855
  237    HA   THR  34           HA       THR  34   9.823  -3.695 -15.615
  238    HB   THR  34           HB       THR  34   8.975  -5.908 -15.873
  239    HG1  THR  34           HG1      THR  34   6.691  -5.212 -14.363
  240   1HG2  THR  34          2HG2      THR  34   8.948  -4.791 -13.103
  241   2HG2  THR  34          1HG2      THR  34   8.495  -6.478 -13.357
  242   3HG2  THR  34          3HG2      THR  34  10.090  -5.908 -13.853
  243    H    ILE  35           H        ILE  35   9.525  -4.168 -17.865
  244    HA   ILE  35           HA       ILE  35   7.845  -2.356 -19.222
  245    HB   ILE  35           HB       ILE  35   8.950  -4.839 -20.484
  246   1HG1  ILE  35          2HG1      ILE  35  10.843  -2.748 -20.687
  247   2HG1  ILE  35          1HG1      ILE  35  10.433  -2.906 -18.982
  248   1HG2  ILE  35          1HG2      ILE  35   7.520  -2.968 -21.629
  249   2HG2  ILE  35          3HG2      ILE  35   9.044  -2.078 -21.621
  250   3HG2  ILE  35          2HG2      ILE  35   8.935  -3.634 -22.449
  251   1HD1  ILE  35          2HD1      ILE  35  10.737  -5.465 -19.419
  252   2HD1  ILE  35          1HD1      ILE  35  11.650  -4.929 -20.831
  253   3HD1  ILE  35          3HD1      ILE  35  12.163  -4.446 -19.213
  254    H    SER  36           H        SER  36   7.478  -5.733 -18.344
  255    HA   SER  36           HA       SER  36   5.218  -6.320 -19.941
  256   1HB   SER  36          2HB       SER  36   5.042  -8.285 -18.680
  257   2HB   SER  36          1HB       SER  36   6.759  -7.911 -18.613
  258    HG   SER  36           HG       SER  36   5.814  -6.633 -16.596
  259    H    ALA  37           H        ALA  37   5.687  -4.664 -16.931
  260    HA   ALA  37           HA       ALA  37   3.034  -4.729 -15.949
  261   1HB   ALA  37          2HB       ALA  37   5.533  -3.524 -15.232
  262   2HB   ALA  37          1HB       ALA  37   4.259  -2.304 -15.160
  263   3HB   ALA  37          3HB       ALA  37   4.108  -3.794 -14.226
  264    H    LEU  38           H        LEU  38   4.422  -3.182 -18.617
  265    HA   LEU  38           HA       LEU  38   2.961  -0.781 -18.758
  266   1HB   LEU  38          2HB       LEU  38   4.149  -2.550 -20.894
  267   2HB   LEU  38          1HB       LEU  38   3.431  -0.977 -21.222
  268    HG   LEU  38           HG       LEU  38   5.741  -1.493 -19.352
  269   1HD1  LEU  38          1HD1      LEU  38   5.848  -1.524 -22.070
  270   2HD1  LEU  38          3HD1      LEU  38   6.150   0.181 -21.730
  271   3HD1  LEU  38          2HD1      LEU  38   7.188  -1.057 -21.019
  272   1HD2  LEU  38          3HD2      LEU  38   4.373   1.052 -20.235
  273   2HD2  LEU  38          2HD2      LEU  38   4.496   0.411 -18.595
  274   3HD2  LEU  38          1HD2      LEU  38   5.937   1.011 -19.417
  275    H    TRP  39           H        TRP  39   2.218  -4.088 -19.639
  276    HA   TRP  39           HA       TRP  39  -0.113  -3.604 -21.163
  277   1HB   TRP  39          2HB       TRP  39   0.079  -6.048 -19.477
  278   2HB   TRP  39          1HB       TRP  39  -0.405  -5.879 -21.159
  279    HD1  TRP  39           HD1      TRP  39   1.890  -7.968 -19.961
  280    HE1  TRP  39           HE1      TRP  39   4.195  -7.892 -21.059
  281    HE3  TRP  39           HE3      TRP  39   1.692  -3.341 -22.152
  282    HZ2  TRP  39           HZ2      TRP  39   5.749  -6.158 -22.624
  283    HZ3  TRP  39           HZ3      TRP  39   3.630  -2.536 -23.440
  284    HH2  TRP  39           HH2      TRP  39   5.641  -3.930 -23.677
  285    H    LYS  40           H        LYS  40   0.584  -3.439 -17.824
  286    HA   LYS  40           HA       LYS  40  -2.275  -3.040 -17.197
  287   1HB   LYS  40          2HB       LYS  40  -1.711  -3.846 -14.895
  288   2HB   LYS  40          1HB       LYS  40  -1.582  -5.088 -16.138
  289   1HG   LYS  40          2HG       LYS  40   0.865  -4.666 -16.249
  290   2HG   LYS  40          1HG       LYS  40   0.699  -3.510 -14.931
  291   1HD   LYS  40          2HD       LYS  40  -0.180  -6.387 -14.698
  292   2HD   LYS  40          1HD       LYS  40   1.447  -5.852 -14.283
  293   1HE   LYS  40          2HE       LYS  40   0.736  -4.669 -12.437
  294   2HE   LYS  40          1HE       LYS  40  -0.871  -4.392 -13.101
  295   1HZ   LYS  40          1HZ       LYS  40   0.017  -7.103 -12.355
  296   2HZ   LYS  40          3HZ       LYS  40  -0.613  -6.044 -11.191
  297   3HZ   LYS  40          2HZ       LYS  40  -1.565  -6.507 -12.519
  298    H    LYS  41           H        LYS  41  -0.443  -1.087 -18.112
  299    HA   LYS  41           HA       LYS  41   1.031   0.457 -16.519
  300   1HB   LYS  41          2HB       LYS  41  -0.823   0.996 -18.687
  301   2HB   LYS  41          1HB       LYS  41  -0.694   2.357 -17.577
  302   1HG   LYS  41          2HG       LYS  41   1.647   0.943 -18.870
  303   2HG   LYS  41          1HG       LYS  41   0.962   2.473 -19.417
  304   1HD   LYS  41          2HD       LYS  41   1.457   3.421 -17.151
  305   2HD   LYS  41          1HD       LYS  41   2.290   1.919 -16.758
  306   1HE   LYS  41          2HE       LYS  41   4.085   2.415 -18.066
  307   2HE   LYS  41          1HE       LYS  41   3.106   3.226 -19.284
  308   1HZ   LYS  41          2HZ       LYS  41   3.635   4.397 -16.617
  309   2HZ   LYS  41          1HZ       LYS  41   4.647   4.670 -17.954
  310   3HZ   LYS  41          3HZ       LYS  41   3.028   5.175 -18.001
  311    H    CYS  42           HN       CYS  42   0.878   0.984 -14.466
  312    HA   CYS  42           HA       CYS  42  -1.266   0.837 -12.769
  313   1HB   CYS  42          2HB       CYS  42   1.198   1.325 -12.263
  314   2HB   CYS  42          1HB       CYS  42   0.801   3.011 -12.539
   
  No H/Q in entry =         314
  Start of MODEL    4
    1   1H    CYS   1          1H        CYS   1   2.513  -0.108   1.341
    2   2H    CYS   1          3H        CYS   1   1.472  -1.259   0.657
    3   3H    CYS   1          2H        CYS   1   2.970  -1.744   1.297
    4    HA   CYS   1           HA       CYS   1   3.340  -1.736  -0.974
    5   1HB   CYS   1          2HB       CYS   1   1.160  -0.371  -1.323
    6   2HB   CYS   1          1HB       CYS   1   2.217   1.028  -1.245
    7    H    ALA   2           H        ALA   2   4.914  -0.373  -2.265
    8    HA   ALA   2           HA       ALA   2   6.383   1.593  -0.674
    9   1HB   ALA   2          1HB       ALA   2   7.348  -1.135  -1.361
   10   2HB   ALA   2          3HB       ALA   2   8.500   0.195  -1.509
   11   3HB   ALA   2          2HB       ALA   2   7.716  -0.124   0.040
   12    H    LYS   3           H        LYS   3   8.504   2.087  -2.144
   13    HA   LYS   3           HA       LYS   3   7.406   2.792  -4.789
   14   1HB   LYS   3          2HB       LYS   3   9.494   4.041  -3.022
   15   2HB   LYS   3          1HB       LYS   3   9.406   4.420  -4.740
   16   1HG   LYS   3          2HG       LYS   3   7.832   5.933  -4.270
   17   2HG   LYS   3          1HG       LYS   3   6.772   4.617  -3.772
   18   1HD   LYS   3          2HD       LYS   3   8.815   5.707  -1.865
   19   2HD   LYS   3          1HD       LYS   3   7.287   6.553  -2.100
   20   1HE   LYS   3          2HE       LYS   3   6.147   5.034  -0.902
   21   2HE   LYS   3          1HE       LYS   3   6.929   3.684  -1.720
   22   1HZ   LYS   3          3HZ       LYS   3   8.240   5.280   0.404
   23   2HZ   LYS   3          2HZ       LYS   3   7.367   3.857   0.713
   24   3HZ   LYS   3          1HZ       LYS   3   8.762   3.807  -0.255
   25    H    LYS   4           H        LYS   4   9.624   3.300  -6.218
   26    HA   LYS   4           HA       LYS   4  10.550   0.694  -6.926
   27   1HB   LYS   4          2HB       LYS   4  11.198   3.480  -7.845
   28   2HB   LYS   4          1HB       LYS   4  12.111   2.093  -8.433
   29   1HG   LYS   4          2HG       LYS   4   9.777   1.087  -8.968
   30   2HG   LYS   4          1HG       LYS   4   9.207   2.749  -8.830
   31   1HD   LYS   4          2HD       LYS   4  11.551   2.775 -10.435
   32   2HD   LYS   4          1HD       LYS   4  10.511   1.487 -11.037
   33   1HE   LYS   4          2HE       LYS   4   9.863   3.439 -12.214
   34   2HE   LYS   4          1HE       LYS   4   8.616   3.180 -10.998
   35   1HZ   LYS   4          3HZ       LYS   4  10.521   4.748  -9.785
   36   2HZ   LYS   4          2HZ       LYS   4  10.356   5.393 -11.348
   37   3HZ   LYS   4          1HZ       LYS   4   8.997   5.243 -10.339
   38    H    ARG   5           H        ARG   5  12.614  -0.175  -6.746
   39    HA   ARG   5           HA       ARG   5  14.769  -0.453  -5.960
   40   1HB   ARG   5          2HB       ARG   5  14.559   2.246  -4.642
   41   2HB   ARG   5          1HB       ARG   5  16.016   1.366  -5.097
   42   1HG   ARG   5          2HG       ARG   5  16.010   2.451  -7.049
   43   2HG   ARG   5          1HG       ARG   5  14.498   1.645  -7.456
   44   1HD   ARG   5          2HD       ARG   5  13.330   3.546  -7.211
   45   2HD   ARG   5          1HD       ARG   5  14.063   3.869  -5.639
   46    HE   ARG   5           HE       ARG   5  15.037   4.812  -8.242
   47   1HH1  ARG   5          1HH2      ARG   5  15.713   4.307  -4.873
   48   2HH1  ARG   5          2HH2      ARG   5  16.731   5.701  -4.727
   49   1HH2  ARG   5          1HH1      ARG   5  17.037   7.091  -6.522
   50   2HH2  ARG   5          2HH1      ARG   5  16.250   6.754  -8.028
   51    H    ASN   6           H        ASN   6  11.989  -0.336  -4.326
   52    HA   ASN   6           HA       ASN   6  13.053  -0.595  -1.622
   53   1HB   ASN   6          2HB       ASN   6  10.291  -0.582  -2.817
   54   2HB   ASN   6          1HB       ASN   6  10.573  -1.049  -1.142
   55   1HD2  ASN   6          2HD2      ASN   6  11.482   2.802  -2.261
   56   2HD2  ASN   6          1HD2      ASN   6  11.692   1.492  -3.368
   57    H    TRP   7           H        TRP   7  12.488  -2.515  -0.328
   58    HA   TRP   7           HA       TRP   7  12.917  -4.952  -1.882
   59   1HB   TRP   7          2HB       TRP   7  13.230  -4.162   0.965
   60   2HB   TRP   7          1HB       TRP   7  12.945  -5.859   0.605
   61    HD1  TRP   7           HD1      TRP   7  14.740  -5.834  -2.186
   62    HE1  TRP   7           HE1      TRP   7  17.279  -5.809  -1.919
   63    HE3  TRP   7           HE3      TRP   7  15.114  -4.107   2.609
   64    HZ2  TRP   7           HZ2      TRP   7  19.209  -5.162   0.019
   65    HZ3  TRP   7           HZ3      TRP   7  17.341  -3.806   3.619
   66    HH2  TRP   7           HH2      TRP   7  19.373  -4.328   2.335
   67    H    CYS   8           H        CYS   8  11.503  -6.663  -1.961
   68    HA   CYS   8           HA       CYS   8   8.727  -6.087  -1.589
   69   1HB   CYS   8          2HB       CYS   8   9.992  -8.774  -2.100
   70   2HB   CYS   8          1HB       CYS   8   8.329  -8.306  -2.411
   71    H    GLY   9           H        GLY   9   7.693  -8.477  -0.668
   72   1HA   GLY   9          2HA       GLY   9   8.704  -9.419   1.782
   73   2HA   GLY   9          1HA       GLY   9   7.584  -8.095   2.109
   74    H    LYS  10           H        LYS  10   7.415 -10.426  -0.528
   75    HA   LYS  10           HA       LYS  10   5.874 -12.026  -1.093
   76   1HB   LYS  10          2HB       LYS  10   6.342 -13.030   1.074
   77   2HB   LYS  10          1HB       LYS  10   5.222 -11.916   1.855
   78   1HG   LYS  10          2HG       LYS  10   3.409 -12.862   0.376
   79   2HG   LYS  10          1HG       LYS  10   4.562 -14.094  -0.130
   80   1HD   LYS  10          2HD       LYS  10   3.722 -15.269   1.608
   81   2HD   LYS  10          1HD       LYS  10   4.785 -14.254   2.579
   82   1HE   LYS  10          2HE       LYS  10   3.004 -13.441   3.652
   83   2HE   LYS  10          1HE       LYS  10   2.400 -12.786   2.134
   84   1HZ   LYS  10          2HZ       LYS  10   1.938 -15.567   3.061
   85   2HZ   LYS  10          1HZ       LYS  10   0.832 -14.294   3.261
   86   3HZ   LYS  10          3HZ       LYS  10   1.248 -14.816   1.702
   87    H    THR  11           H        THR  11   4.013 -10.525   1.516
   88    HA   THR  11           HA       THR  11   1.686 -10.194  -0.049
   89    HB   THR  11           HB       THR  11   1.914 -10.278   2.494
   90    HG1  THR  11           HG1      THR  11   0.313  -8.230   1.351
   91   1HG2  THR  11          3HG2      THR  11   3.571  -8.229   2.303
   92   2HG2  THR  11          2HG2      THR  11   2.070  -7.304   2.402
   93   3HG2  THR  11          1HG2      THR  11   2.509  -8.417   3.700
   94    H    GLU  12           H        GLU  12   0.654  -8.139  -0.596
   95    HA   GLU  12           HA       GLU  12   0.592  -6.099  -1.641
   96   1HB   GLU  12          2HB       GLU  12   2.860  -5.850   0.244
   97   2HB   GLU  12          1HB       GLU  12   2.810  -4.682  -1.074
   98   1HG   GLU  12          2HG       GLU  12   1.572  -3.629   0.606
   99   2HG   GLU  12          1HG       GLU  12   0.322  -4.373  -0.393
  100    H    ASP  13           H        ASP  13   0.799  -6.166  -3.774
  101    HA   ASP  13           HA       ASP  13   3.232  -7.187  -5.014
  102   1HB   ASP  13          2HB       ASP  13   0.603  -6.269  -6.194
  103   2HB   ASP  13          1HB       ASP  13   1.938  -6.961  -7.119
  104    H    CYS  14           H        CYS  14   3.668  -4.823  -3.626
  105    HA   CYS  14           HA       CYS  14   4.547  -2.711  -3.830
  106   1HB   CYS  14          2HB       CYS  14   5.091  -3.735  -6.619
  107   2HB   CYS  14          1HB       CYS  14   5.784  -2.272  -5.936
  108    H    CYS  15           H        CYS  15   4.566  -0.760  -5.553
  109    HA   CYS  15           HA       CYS  15   1.723  -0.225  -6.035
  110   1HB   CYS  15          2HB       CYS  15   4.154   1.504  -5.689
  111   2HB   CYS  15          1HB       CYS  15   2.657   2.155  -6.340
  112    H    CYS  16           H        CYS  16   1.239  -1.083  -7.999
  113    HA   CYS  16           HA       CYS  16   2.677  -1.483 -10.231
  114   1HB   CYS  16          2HB       CYS  16   0.571  -0.807 -11.542
  115   2HB   CYS  16          1HB       CYS  16   0.450  -2.115 -10.382
  116    HA   PRO  17           HA       PRO  17   2.523  -1.358 -12.402
  117   1HB   PRO  17          2HB       PRO  17   4.528  -0.993 -14.182
  118   2HB   PRO  17          1HB       PRO  17   2.888  -0.367 -14.421
  119   1HG   PRO  17          2HG       PRO  17   5.357   1.063 -13.636
  120   2HG   PRO  17          1HG       PRO  17   3.957   1.642 -14.554
  121   1HD   PRO  17          2HD       PRO  17   4.470   2.170 -11.863
  122   2HD   PRO  17          1HD       PRO  17   2.911   2.379 -12.684
  123    H    MET  18           H        MET  18   4.647  -0.158 -10.249
  124    HA   MET  18           HA       MET  18   7.022  -1.573 -10.487
  125   1HB   MET  18          2HB       MET  18   5.456  -0.705  -8.066
  126   2HB   MET  18          1HB       MET  18   7.065  -1.410  -7.968
  127   1HG   MET  18          2HG       MET  18   7.773   0.416  -9.619
  128   2HG   MET  18          1HG       MET  18   6.233   1.181  -9.252
  129   1HE   MET  18          2HE       MET  18   5.571   0.550  -6.687
  130   2HE   MET  18          1HE       MET  18   6.753   0.451  -5.384
  131   3HE   MET  18          3HE       MET  18   6.077   2.017  -5.853
  132    H    LYS  19           H        LYS  19   7.373  -3.668 -10.633
  133    HA   LYS  19           HA       LYS  19   5.561  -5.534  -9.226
  134   1HB   LYS  19          2HB       LYS  19   5.868  -5.402 -11.912
  135   2HB   LYS  19          1HB       LYS  19   7.147  -6.545 -11.504
  136   1HG   LYS  19          2HG       LYS  19   5.014  -7.430  -9.988
  137   2HG   LYS  19          1HG       LYS  19   4.245  -6.899 -11.482
  138   1HD   LYS  19          2HD       LYS  19   6.524  -8.294 -12.305
  139   2HD   LYS  19          1HD       LYS  19   5.864  -9.249 -10.979
  140   1HE   LYS  19          2HE       LYS  19   3.956  -9.769 -12.122
  141   2HE   LYS  19          1HE       LYS  19   3.928  -8.235 -12.988
  142   1HZ   LYS  19          1HZ       LYS  19   6.155  -9.934 -13.662
  143   2HZ   LYS  19          3HZ       LYS  19   4.644 -10.599 -14.052
  144   3HZ   LYS  19          2HZ       LYS  19   5.089  -9.082 -14.673
  145    H    CYS  20           H        CYS  20   6.479  -7.001  -7.887
  146    HA   CYS  20           HA       CYS  20   9.088  -6.623  -6.929
  147   1HB   CYS  20          2HB       CYS  20   7.277  -7.700  -5.646
  148   2HB   CYS  20          1HB       CYS  20   7.371  -9.097  -6.709
  149    H    VAL  21           H        VAL  21  10.944  -7.079  -7.856
  150    HA   VAL  21           HA       VAL  21  11.078  -9.229  -9.867
  151    HB   VAL  21           HB       VAL  21  13.117  -7.062  -9.474
  152   1HG1  VAL  21          1HG1      VAL  21  12.576  -9.185 -11.437
  153   2HG1  VAL  21          3HG1      VAL  21  13.001  -7.617 -12.128
  154   3HG1  VAL  21          2HG1      VAL  21  14.097  -8.407 -10.992
  155   1HG2  VAL  21          2HG2      VAL  21  10.453  -6.914 -10.830
  156   2HG2  VAL  21          1HG2      VAL  21  11.285  -5.700  -9.854
  157   3HG2  VAL  21          3HG2      VAL  21  11.821  -6.026 -11.505
  158    H    TYR  22           H        TYR  22  12.989 -10.547  -9.893
  159    HA   TYR  22           HA       TYR  22  14.049 -11.031  -7.189
  160   1HB   TYR  22          2HB       TYR  22  12.828 -12.820  -8.593
  161   2HB   TYR  22          1HB       TYR  22  14.311 -12.886  -9.535
  162    HD1  TYR  22           HD2      TYR  22  16.450 -12.736  -7.675
  163    HD2  TYR  22           HD1      TYR  22  12.658 -14.639  -7.206
  164    HE1  TYR  22           HE2      TYR  22  17.423 -14.270  -6.010
  165    HE2  TYR  22           HE1      TYR  22  13.636 -16.172  -5.541
  166    HH   TYR  22           HH       TYR  22  16.072 -15.777  -3.877
  167    H    ALA  23           H        ALA  23  16.097 -10.541  -6.761
  168    HA   ALA  23           HA       ALA  23  17.841  -9.672  -8.931
  169   1HB   ALA  23          3HB       ALA  23  18.091  -9.544  -5.920
  170   2HB   ALA  23          2HB       ALA  23  19.337  -8.972  -7.031
  171   3HB   ALA  23          1HB       ALA  23  17.744  -8.212  -7.023
  172    H    TRP  24           H        TRP  24  19.424 -10.956  -6.169
  173    HA   TRP  24           HA       TRP  24  19.829 -13.601  -7.273
  174   1HB   TRP  24          2HB       TRP  24  22.434 -12.993  -6.945
  175   2HB   TRP  24          1HB       TRP  24  21.608 -12.936  -8.494
  176    HD1  TRP  24           HD1      TRP  24  20.459 -10.290  -8.981
  177    HE1  TRP  24           HE1      TRP  24  21.670  -8.071  -8.636
  178    HE3  TRP  24           HE3      TRP  24  24.170 -11.782  -5.780
  179    HZ2  TRP  24           HZ2      TRP  24  23.874  -7.049  -7.233
  180    HZ3  TRP  24           HZ3      TRP  24  25.802 -10.125  -4.977
  181    HH2  TRP  24           HH2      TRP  24  25.659  -7.777  -5.695
  182    H    TYR  25           H        TYR  25  21.787 -11.542  -5.161
  183    HA   TYR  25           HA       TYR  25  21.712 -13.516  -3.062
  184   1HB   TYR  25          2HB       TYR  25  23.418 -12.308  -2.077
  185   2HB   TYR  25          1HB       TYR  25  23.675 -11.967  -3.779
  186    HD1  TYR  25           HD1      TYR  25  22.485  -9.821  -4.687
  187    HD2  TYR  25           HD2      TYR  25  23.300 -10.561  -0.564
  188    HE1  TYR  25           HE1      TYR  25  22.318  -7.407  -4.220
  189    HE2  TYR  25           HE2      TYR  25  23.131  -8.146  -0.100
  190    HH   TYR  25           HH       TYR  25  23.445  -5.976  -1.491
  191    H    ASN  26           H        ASN  26  19.495 -11.413  -4.074
  192    HA   ASN  26           HA       ASN  26  18.493 -10.855  -1.354
  193   1HB   ASN  26          2HB       ASN  26  18.972  -9.029  -3.599
  194   2HB   ASN  26          1HB       ASN  26  17.355  -8.902  -2.907
  195   1HD2  ASN  26          2HD2      ASN  26  20.631  -8.032  -0.595
  196   2HD2  ASN  26          1HD2      ASN  26  20.765  -9.095  -1.951
  197    H    GLU  27           H        GLU  27  17.385 -12.926  -1.697
  198    HA   GLU  27           HA       GLU  27  15.543 -13.416  -3.757
  199   1HB   GLU  27          2HB       GLU  27  16.355 -15.123  -2.157
  200   2HB   GLU  27          1HB       GLU  27  15.394 -14.360  -0.893
  201   1HG   GLU  27          2HG       GLU  27  13.345 -14.817  -2.123
  202   2HG   GLU  27          1HG       GLU  27  14.271 -15.484  -3.468
  203    H    GLN  28           H        GLN  28  15.442 -11.162  -1.224
  204    HA   GLN  28           HA       GLN  28  12.627 -11.035  -0.809
  205   1HB   GLN  28          2HB       GLN  28  13.100  -8.990   0.376
  206   2HB   GLN  28          1HB       GLN  28  14.311 -10.192   0.800
  207   1HG   GLN  28          2HG       GLN  28  15.875  -9.176  -0.811
  208   2HG   GLN  28          1HG       GLN  28  14.660  -7.964  -1.219
  209   1HE2  GLN  28          2HE2      GLN  28  14.815  -6.694   2.278
  210   2HE2  GLN  28          1HE2      GLN  28  13.613  -7.457   1.300
  211    H    GLY  29           H        GLY  29  14.389 -10.370  -3.519
  212   1HA   GLY  29          2HA       GLY  29  14.124  -8.995  -5.358
  213   2HA   GLY  29          1HA       GLY  29  12.415  -9.345  -5.090
  214    H    SER  30           H        SER  30  12.382  -7.093  -6.118
  215    HA   SER  30           HA       SER  30  11.919  -5.174  -3.994
  216   1HB   SER  30          2HB       SER  30  13.322  -3.448  -5.334
  217   2HB   SER  30          1HB       SER  30  14.128  -4.537  -4.214
  218    HG   SER  30           HG       SER  30  14.588  -5.889  -6.050
  219    H    CYS  31           H        CYS  31  10.821  -3.270  -4.723
  220    HA   CYS  31           HA       CYS  31   8.913  -3.821  -6.788
  221   1HB   CYS  31          2HB       CYS  31   9.426  -1.299  -5.211
  222   2HB   CYS  31          1HB       CYS  31   8.010  -1.623  -6.197
  223    H    GLN  32           H        GLN  32   9.418  -3.638  -8.877
  224    HA   GLN  32           HA       GLN  32  10.666  -1.170  -9.827
  225   1HB   GLN  32          2HB       GLN  32  11.832  -3.915 -10.157
  226   2HB   GLN  32          1HB       GLN  32  12.120  -2.663 -11.362
  227   1HG   GLN  32          2HG       GLN  32  12.891  -1.185  -9.432
  228   2HG   GLN  32          1HG       GLN  32  12.886  -2.647  -8.444
  229   1HE2  GLN  32          1HE2      GLN  32  14.827  -3.522  -8.282
  230   2HE2  GLN  32          2HE2      GLN  32  16.042  -3.565  -9.509
  231    H    SER  33           H        SER  33   9.420  -0.431 -11.396
  232    HA   SER  33           HA       SER  33   7.320  -1.865 -12.588
  233   1HB   SER  33          2HB       SER  33   7.028   0.060 -13.981
  234   2HB   SER  33          1HB       SER  33   7.493   0.620 -12.382
  235    HG   SER  33           HG       SER  33   9.671   0.157 -13.939
  236    H    THR  34           H        THR  34   7.422  -3.423 -14.057
  237    HA   THR  34           HA       THR  34   9.810  -3.760 -15.687
  238    HB   THR  34           HB       THR  34   9.120  -5.960 -16.046
  239    HG1  THR  34           HG1      THR  34   6.558  -5.563 -14.980
  240   1HG2  THR  34          3HG2      THR  34   8.836  -4.896 -13.354
  241   2HG2  THR  34          2HG2      THR  34   7.909  -6.379 -13.590
  242   3HG2  THR  34          1HG2      THR  34   9.645  -6.362 -13.908
  243    H    ILE  35           H        ILE  35   9.593  -4.292 -17.968
  244    HA   ILE  35           HA       ILE  35   8.193  -2.328 -19.401
  245    HB   ILE  35           HB       ILE  35   9.605  -4.861 -20.142
  246   1HG1  ILE  35          2HG1      ILE  35  10.755  -2.690 -19.462
  247   2HG1  ILE  35          1HG1      ILE  35  11.263  -3.422 -20.981
  248   1HG2  ILE  35          3HG2      ILE  35   7.648  -3.434 -21.755
  249   2HG2  ILE  35          2HG2      ILE  35   9.234  -3.518 -22.523
  250   3HG2  ILE  35          1HG2      ILE  35   8.413  -5.000 -22.028
  251   1HD1  ILE  35          3HD1      ILE  35   9.213  -1.209 -20.752
  252   2HD1  ILE  35          2HD1      ILE  35  10.917  -0.955 -21.141
  253   3HD1  ILE  35          1HD1      ILE  35   9.887  -1.874 -22.242
  254    H    SER  36           H        SER  36   7.488  -5.755 -18.828
  255    HA   SER  36           HA       SER  36   5.170  -5.910 -20.433
  256   1HB   SER  36          2HB       SER  36   4.808  -7.994 -19.429
  257   2HB   SER  36          1HB       SER  36   6.554  -7.798 -19.352
  258    HG   SER  36           HG       SER  36   4.667  -7.849 -17.318
  259    H    ALA  37           H        ALA  37   5.814  -4.446 -17.411
  260    HA   ALA  37           HA       ALA  37   3.245  -4.524 -16.229
  261   1HB   ALA  37          1HB       ALA  37   5.519  -3.842 -15.201
  262   2HB   ALA  37          3HB       ALA  37   5.168  -2.245 -15.866
  263   3HB   ALA  37          2HB       ALA  37   4.072  -2.971 -14.687
  264    H    LEU  38           H        LEU  38   4.456  -2.881 -18.940
  265    HA   LEU  38           HA       LEU  38   2.942  -0.508 -18.916
  266   1HB   LEU  38          2HB       LEU  38   4.155  -2.175 -21.104
  267   2HB   LEU  38          1HB       LEU  38   3.229  -0.722 -21.460
  268    HG   LEU  38           HG       LEU  38   5.620  -0.828 -19.625
  269   1HD1  LEU  38          1HD1      LEU  38   5.592  -0.950 -22.420
  270   2HD1  LEU  38          3HD1      LEU  38   5.993   0.723 -22.025
  271   3HD1  LEU  38          2HD1      LEU  38   6.972  -0.595 -21.378
  272   1HD2  LEU  38          2HD2      LEU  38   4.046   1.490 -20.764
  273   2HD2  LEU  38          1HD2      LEU  38   4.082   0.973 -19.076
  274   3HD2  LEU  38          3HD2      LEU  38   5.534   1.638 -19.826
  275    H    TRP  39           H        TRP  39   2.222  -3.793 -19.923
  276    HA   TRP  39           HA       TRP  39  -0.206  -3.292 -21.272
  277   1HB   TRP  39          2HB       TRP  39   0.179  -5.803 -19.711
  278   2HB   TRP  39          1HB       TRP  39  -0.475  -5.578 -21.328
  279    HD1  TRP  39           HD1      TRP  39   1.983  -7.642 -20.470
  280    HE1  TRP  39           HE1      TRP  39   4.161  -7.444 -21.787
  281    HE3  TRP  39           HE3      TRP  39   1.442  -2.926 -22.391
  282    HZ2  TRP  39           HZ2      TRP  39   5.500  -5.589 -23.414
  283    HZ3  TRP  39           HZ3      TRP  39   3.216  -2.000 -23.825
  284    HH2  TRP  39           HH2      TRP  39   5.228  -3.318 -24.334
  285    H    LYS  40           H        LYS  40   0.666  -3.194 -17.980
  286    HA   LYS  40           HA       LYS  40  -2.167  -2.925 -17.194
  287   1HB   LYS  40          2HB       LYS  40  -1.392  -3.800 -14.934
  288   2HB   LYS  40          1HB       LYS  40  -1.489  -4.984 -16.236
  289   1HG   LYS  40          2HG       LYS  40   1.001  -4.470 -16.633
  290   2HG   LYS  40          1HG       LYS  40   0.962  -3.695 -15.051
  291   1HD   LYS  40          2HD       LYS  40  -0.117  -5.947 -14.277
  292   2HD   LYS  40          1HD       LYS  40   0.601  -6.586 -15.754
  293   1HE   LYS  40          2HE       LYS  40   2.438  -4.934 -14.181
  294   2HE   LYS  40          1HE       LYS  40   1.874  -6.366 -13.324
  295   1HZ   LYS  40          1HZ       LYS  40   2.926  -6.496 -16.085
  296   2HZ   LYS  40          3HZ       LYS  40   3.939  -6.608 -14.730
  297   3HZ   LYS  40          2HZ       LYS  40   2.719  -7.764 -14.974
  298    H    LYS  41           H        LYS  41  -0.479  -0.850 -18.072
  299    HA   LYS  41           HA       LYS  41   1.015   0.589 -16.324
  300   1HB   LYS  41          2HB       LYS  41  -0.700   1.227 -18.586
  301   2HB   LYS  41          1HB       LYS  41  -0.600   2.549 -17.425
  302   1HG   LYS  41          2HG       LYS  41   1.964   1.232 -18.066
  303   2HG   LYS  41          1HG       LYS  41   1.217   2.114 -19.396
  304   1HD   LYS  41          2HD       LYS  41   1.746   4.096 -18.490
  305   2HD   LYS  41          1HD       LYS  41   1.112   3.622 -16.916
  306   1HE   LYS  41          2HE       LYS  41   3.177   3.308 -16.119
  307   2HE   LYS  41          1HE       LYS  41   3.567   2.217 -17.445
  308   1HZ   LYS  41          2HZ       LYS  41   4.012   4.212 -18.815
  309   2HZ   LYS  41          1HZ       LYS  41   3.808   5.173 -17.428
  310   3HZ   LYS  41          3HZ       LYS  41   5.069   4.041 -17.496
  311    H    CYS  42           HN       CYS  42   0.603   0.634 -14.211
  312    HA   CYS  42           HA       CYS  42  -1.635   0.584 -12.725
  313   1HB   CYS  42          2HB       CYS  42   0.782   0.899 -12.005
  314   2HB   CYS  42          1HB       CYS  42   0.516   2.617 -12.189
   
  No H/Q in entry =         314
  Start of MODEL    5
    1   1H    CYS   1          1H        CYS   1   1.894  -0.248   0.792
    2   2H    CYS   1          3H        CYS   1   1.250   1.254   0.342
    3   3H    CYS   1          2H        CYS   1   0.472  -0.178  -0.134
    4    HA   CYS   1           HA       CYS   1   2.133  -0.740  -1.651
    5   1HB   CYS   1          2HB       CYS   1   0.625   1.313  -2.166
    6   2HB   CYS   1          1HB       CYS   1   2.096   2.243  -1.929
    7    H    ALA   2           H        ALA   2   4.212  -0.018  -2.720
    8    HA   ALA   2           HA       ALA   2   6.105   1.163  -0.799
    9   1HB   ALA   2          2HB       ALA   2   6.062  -1.460  -0.945
   10   2HB   ALA   2          1HB       ALA   2   6.947  -1.188  -2.448
   11   3HB   ALA   2          3HB       ALA   2   7.603  -0.599  -0.920
   12    H    LYS   3           H        LYS   3   8.226   1.655  -1.915
   13    HA   LYS   3           HA       LYS   3   7.645   2.762  -4.588
   14   1HB   LYS   3          2HB       LYS   3   9.506   3.566  -2.370
   15   2HB   LYS   3          1HB       LYS   3   9.797   4.101  -4.023
   16   1HG   LYS   3          2HG       LYS   3   8.362   5.775  -3.645
   17   2HG   LYS   3          1HG       LYS   3   7.076   4.573  -3.579
   18   1HD   LYS   3          2HD       LYS   3   6.810   5.623  -1.536
   19   2HD   LYS   3          1HD       LYS   3   7.869   4.288  -1.094
   20   1HE   LYS   3          2HE       LYS   3   9.692   6.177  -1.803
   21   2HE   LYS   3          1HE       LYS   3   8.403   7.187  -1.156
   22   1HZ   LYS   3          3HZ       LYS   3   8.474   5.421   0.748
   23   2HZ   LYS   3          2HZ       LYS   3  10.062   5.187   0.192
   24   3HZ   LYS   3          1HZ       LYS   3   9.564   6.721   0.727
   25    H    LYS   4           H        LYS   4   9.813   3.004  -5.887
   26    HA   LYS   4           HA       LYS   4  10.666   0.390  -6.556
   27   1HB   LYS   4          2HB       LYS   4  11.542   3.148  -7.346
   28   2HB   LYS   4          1HB       LYS   4  12.451   1.736  -7.877
   29   1HG   LYS   4          2HG       LYS   4  10.478   0.816  -8.949
   30   2HG   LYS   4          1HG       LYS   4   9.487   2.130  -8.320
   31   1HD   LYS   4          2HD       LYS   4  11.876   2.714 -10.041
   32   2HD   LYS   4          1HD       LYS   4  10.339   2.258 -10.772
   33   1HE   LYS   4          2HE       LYS   4   9.866   4.459 -10.676
   34   2HE   LYS   4          1HE       LYS   4   9.555   4.160  -8.968
   35   1HZ   LYS   4          1HZ       LYS   4  12.325   4.635  -9.667
   36   2HZ   LYS   4          3HZ       LYS   4  11.292   5.963  -9.877
   37   3HZ   LYS   4          2HZ       LYS   4  11.415   5.217  -8.356
   38    H    ARG   5           H        ARG   5  12.600  -0.665  -6.205
   39    HA   ARG   5           HA       ARG   5  14.633  -1.173  -5.243
   40   1HB   ARG   5          2HB       ARG   5  14.695   1.548  -3.969
   41   2HB   ARG   5          1HB       ARG   5  16.047   0.510  -4.416
   42   1HG   ARG   5          2HG       ARG   5  16.188   1.598  -6.361
   43   2HG   ARG   5          1HG       ARG   5  14.593   0.983  -6.787
   44   1HD   ARG   5          2HD       ARG   5  13.615   2.988  -6.449
   45   2HD   ARG   5          1HD       ARG   5  14.502   3.265  -4.951
   46    HE   ARG   5           HE       ARG   5  15.313   4.083  -7.636
   47   1HH1  ARG   5          1HH2      ARG   5  16.238   3.509  -4.326
   48   2HH1  ARG   5          2HH2      ARG   5  17.540   4.650  -4.354
   49   1HH2  ARG   5          2HH1      ARG   5  16.988   5.640  -7.661
   50   2HH2  ARG   5          1HH1      ARG   5  17.967   5.861  -6.250
   51    H    ASN   6           H        ASN   6  11.821  -0.980  -3.898
   52    HA   ASN   6           HA       ASN   6  12.627  -1.107  -1.084
   53   1HB   ASN   6          2HB       ASN   6   9.971  -0.990  -2.495
   54   2HB   ASN   6          1HB       ASN   6  10.110  -1.356  -0.778
   55   1HD2  ASN   6          2HD2      ASN   6  11.335   2.345  -2.079
   56   2HD2  ASN   6          1HD2      ASN   6  11.527   0.952  -3.081
   57    H    TRP   7           H        TRP   7  13.192  -3.010  -0.270
   58    HA   TRP   7           HA       TRP   7  13.207  -5.461  -1.453
   59   1HB   TRP   7          2HB       TRP   7  13.113  -4.555   1.364
   60   2HB   TRP   7          1HB       TRP   7  12.821  -6.260   1.055
   61    HD1  TRP   7           HD1      TRP   7  15.157  -5.167  -1.560
   62    HE1  TRP   7           HE1      TRP   7  17.562  -5.726  -0.906
   63    HE3  TRP   7           HE3      TRP   7  14.506  -6.212   3.397
   64    HZ2  TRP   7           HZ2      TRP   7  19.020  -6.503   1.366
   65    HZ3  TRP   7           HZ3      TRP   7  16.451  -6.861   4.765
   66    HH2  TRP   7           HH2      TRP   7  18.691  -7.006   3.759
   67    H    CYS   8           H        CYS   8  11.842  -7.208  -1.647
   68    HA   CYS   8           HA       CYS   8   8.981  -6.635  -1.251
   69   1HB   CYS   8          2HB       CYS   8   9.719  -7.220  -3.528
   70   2HB   CYS   8          1HB       CYS   8  10.330  -8.756  -2.928
   71    H    GLY   9           H        GLY   9  11.244  -9.382  -0.975
   72   1HA   GLY   9          2HA       GLY   9  11.240 -11.230   0.394
   73   2HA   GLY   9          1HA       GLY   9  10.670 -10.112   1.634
   74    H    LYS  10           H        LYS  10   9.601 -12.214  -1.002
   75    HA   LYS  10           HA       LYS  10   7.678 -13.417  -1.328
   76   1HB   LYS  10          2HB       LYS  10   8.321 -13.716   1.327
   77   2HB   LYS  10          1HB       LYS  10   6.652 -13.157   1.399
   78   1HG   LYS  10          2HG       LYS  10   6.551 -15.529   1.285
   79   2HG   LYS  10          1HG       LYS  10   6.108 -14.943  -0.316
   80   1HD   LYS  10          2HD       LYS  10   7.612 -16.684  -0.760
   81   2HD   LYS  10          1HD       LYS  10   8.604 -15.234  -0.892
   82   1HE   LYS  10          2HE       LYS  10   9.147 -15.629   1.601
   83   2HE   LYS  10          1HE       LYS  10   8.511 -17.250   1.337
   84   1HZ   LYS  10          3HZ       LYS  10  10.261 -16.686  -0.750
   85   2HZ   LYS  10          2HZ       LYS  10  11.044 -16.230   0.687
   86   3HZ   LYS  10          1HZ       LYS  10  10.460 -17.813   0.501
   87    H    THR  11           H        THR  11   5.156 -13.197  -0.116
   88    HA   THR  11           HA       THR  11   3.201 -12.057  -0.573
   89    HB   THR  11           HB       THR  11   2.991 -10.007   0.635
   90    HG1  THR  11           HG1      THR  11   5.772  -9.845   1.014
   91   1HG2  THR  11          3HG2      THR  11   4.239 -12.320   1.752
   92   2HG2  THR  11          2HG2      THR  11   4.870 -10.886   2.564
   93   3HG2  THR  11          1HG2      THR  11   3.130 -11.183   2.523
   94    H    GLU  12           H        GLU  12   2.549  -9.547  -1.283
   95    HA   GLU  12           HA       GLU  12   4.206  -8.543  -3.424
   96   1HB   GLU  12          2HB       GLU  12   2.415 -10.617  -4.032
   97   2HB   GLU  12          1HB       GLU  12   1.646  -9.139  -4.605
   98   1HG   GLU  12          2HG       GLU  12   2.944  -9.312  -6.427
   99   2HG   GLU  12          1HG       GLU  12   4.300  -8.866  -5.389
  100    H    ASP  13           H        ASP  13   3.757  -6.439  -3.818
  101    HA   ASP  13           HA       ASP  13   1.387  -5.097  -3.854
  102   1HB   ASP  13          2HB       ASP  13   2.124  -5.826  -1.125
  103   2HB   ASP  13          1HB       ASP  13   1.855  -4.094  -1.329
  104    H    CYS  14           H        CYS  14   2.452  -3.792  -5.270
  105    HA   CYS  14           HA       CYS  14   4.307  -1.828  -4.092
  106   1HB   CYS  14          2HB       CYS  14   4.680  -3.123  -6.799
  107   2HB   CYS  14          1HB       CYS  14   5.692  -1.869  -6.099
  108    H    CYS  15           H        CYS  15   4.630  -0.017  -5.836
  109    HA   CYS  15           HA       CYS  15   1.933   0.856  -6.567
  110   1HB   CYS  15          2HB       CYS  15   4.562   2.253  -6.184
  111   2HB   CYS  15          1HB       CYS  15   3.210   3.052  -6.972
  112    H    CYS  16           H        CYS  16   1.448  -0.105  -8.485
  113    HA   CYS  16           HA       CYS  16   2.924  -0.850 -10.602
  114   1HB   CYS  16          2HB       CYS  16   0.993  -0.096 -12.073
  115   2HB   CYS  16          1HB       CYS  16   0.612  -1.193 -10.758
  116    HA   PRO  17           HA       PRO  17   2.923  -0.887 -12.768
  117   1HB   PRO  17          2HB       PRO  17   5.045  -0.892 -14.448
  118   2HB   PRO  17          1HB       PRO  17   3.501  -0.112 -14.831
  119   1HG   PRO  17          2HG       PRO  17   6.073   1.099 -14.016
  120   2HG   PRO  17          1HG       PRO  17   4.792   1.753 -15.050
  121   1HD   PRO  17          2HD       PRO  17   5.238   2.427 -12.377
  122   2HD   PRO  17          1HD       PRO  17   3.759   2.753 -13.300
  123    H    MET  18           H        MET  18   5.031   0.220 -10.568
  124    HA   MET  18           HA       MET  18   7.224  -1.514 -10.579
  125   1HB   MET  18          2HB       MET  18   5.743  -0.159  -8.332
  126   2HB   MET  18          1HB       MET  18   7.239  -1.056  -8.098
  127   1HG   MET  18          2HG       MET  18   8.508   0.564  -9.044
  128   2HG   MET  18          1HG       MET  18   7.302   0.935 -10.268
  129   1HE   MET  18          3HE       MET  18   6.225   0.679  -6.629
  130   2HE   MET  18          2HE       MET  18   7.849   1.269  -6.278
  131   3HE   MET  18          1HE       MET  18   6.456   2.301  -5.960
  132    H    LYS  19           H        LYS  19   7.387  -3.631 -10.263
  133    HA   LYS  19           HA       LYS  19   5.301  -5.025  -8.708
  134   1HB   LYS  19          2HB       LYS  19   4.846  -5.393 -11.083
  135   2HB   LYS  19          1HB       LYS  19   6.502  -5.945 -11.326
  136   1HG   LYS  19          2HG       LYS  19   6.090  -7.798  -9.736
  137   2HG   LYS  19          1HG       LYS  19   4.420  -7.262  -9.571
  138   1HD   LYS  19          2HD       LYS  19   5.418  -7.739 -12.328
  139   2HD   LYS  19          1HD       LYS  19   5.164  -9.157 -11.313
  140   1HE   LYS  19          2HE       LYS  19   2.866  -8.659 -11.019
  141   2HE   LYS  19          1HE       LYS  19   3.062  -7.022 -11.639
  142   1HZ   LYS  19          3HZ       LYS  19   3.923  -8.875 -13.576
  143   2HZ   LYS  19          2HZ       LYS  19   2.366  -9.307 -13.049
  144   3HZ   LYS  19          1HZ       LYS  19   2.655  -7.752 -13.669
  145    H    CYS  20           H        CYS  20   6.023  -6.706  -7.439
  146    HA   CYS  20           HA       CYS  20   8.598  -6.644  -6.415
  147   1HB   CYS  20          2HB       CYS  20   6.382  -8.625  -6.359
  148   2HB   CYS  20          1HB       CYS  20   7.969  -9.156  -5.819
  149    H    VAL  21           H        VAL  21  10.314  -6.770  -7.733
  150    HA   VAL  21           HA       VAL  21  10.483  -8.992  -9.659
  151    HB   VAL  21           HB       VAL  21  12.326  -6.624  -9.475
  152   1HG1  VAL  21          3HG1      VAL  21  11.796  -8.796 -11.438
  153   2HG1  VAL  21          2HG1      VAL  21  12.258  -7.209 -12.057
  154   3HG1  VAL  21          1HG1      VAL  21  13.325  -8.067 -10.942
  155   1HG2  VAL  21          1HG2      VAL  21   9.567  -6.809 -10.585
  156   2HG2  VAL  21          3HG2      VAL  21  10.389  -5.446  -9.824
  157   3HG2  VAL  21          2HG2      VAL  21  10.767  -5.885 -11.491
  158    H    TYR  22           H        TYR  22  12.864  -9.732  -9.960
  159    HA   TYR  22           HA       TYR  22  13.920 -10.408  -7.298
  160   1HB   TYR  22          2HB       TYR  22  13.142 -12.223  -8.888
  161   2HB   TYR  22          1HB       TYR  22  14.500 -11.787  -9.915
  162    HD1  TYR  22           HD1      TYR  22  16.845 -11.864  -8.851
  163    HD2  TYR  22           HD2      TYR  22  13.408 -13.738  -7.150
  164    HE1  TYR  22           HE1      TYR  22  18.304 -13.341  -7.521
  165    HE2  TYR  22           HE2      TYR  22  14.871 -15.211  -5.823
  166    HH   TYR  22           HH       TYR  22  18.386 -14.846  -5.865
  167    H    ALA  23           H        ALA  23  16.230 -10.489  -7.037
  168    HA   ALA  23           HA       ALA  23  17.622  -8.550  -8.771
  169   1HB   ALA  23          1HB       ALA  23  17.943  -9.198  -5.840
  170   2HB   ALA  23          3HB       ALA  23  19.116  -8.239  -6.745
  171   3HB   ALA  23          2HB       ALA  23  17.456  -7.664  -6.564
  172    H    TRP  24           H        TRP  24  19.410 -10.379  -6.448
  173    HA   TRP  24           HA       TRP  24  20.154 -12.497  -8.262
  174   1HB   TRP  24          2HB       TRP  24  22.663 -11.668  -7.809
  175   2HB   TRP  24          1HB       TRP  24  21.755 -11.245  -9.252
  176    HD1  TRP  24           HD1      TRP  24  20.317  -8.737  -8.922
  177    HE1  TRP  24           HE1      TRP  24  21.270  -6.598  -7.908
  178    HE3  TRP  24           HE3      TRP  24  24.263 -10.671  -6.291
  179    HZ2  TRP  24           HZ2      TRP  24  23.377  -5.791  -6.242
  180    HZ3  TRP  24           HZ3      TRP  24  25.713  -9.151  -5.008
  181    HH2  TRP  24           HH2      TRP  24  25.276  -6.731  -4.981
  182    H    TYR  25           H        TYR  25  21.959 -10.889  -5.676
  183    HA   TYR  25           HA       TYR  25  22.106 -13.386  -4.212
  184   1HB   TYR  25          2HB       TYR  25  23.931 -12.504  -3.159
  185   2HB   TYR  25          1HB       TYR  25  23.983 -11.584  -4.651
  186    HD1  TYR  25           HD2      TYR  25  22.489  -9.357  -4.556
  187    HD2  TYR  25           HD1      TYR  25  24.192 -11.349  -1.188
  188    HE1  TYR  25           HE2      TYR  25  22.368  -7.266  -3.257
  189    HE2  TYR  25           HE1      TYR  25  24.069  -9.256   0.110
  190    HH   TYR  25           HH       TYR  25  23.233  -6.221  -1.366
  191    H    ASN  26           H        ASN  26  19.645 -11.588  -4.485
  192    HA   ASN  26           HA       ASN  26  18.872 -11.725  -1.672
  193   1HB   ASN  26          2HB       ASN  26  19.062  -9.218  -3.289
  194   2HB   ASN  26          1HB       ASN  26  17.752  -9.384  -2.119
  195   1HD2  ASN  26          2HD2      ASN  26  21.021  -7.985  -0.683
  196   2HD2  ASN  26          1HD2      ASN  26  20.248  -7.700  -2.202
  197    H    GLU  27           H        GLU  27  17.526 -13.419  -2.316
  198    HA   GLU  27           HA       GLU  27  15.720 -13.399  -4.458
  199   1HB   GLU  27          2HB       GLU  27  16.152 -15.470  -3.391
  200   2HB   GLU  27          1HB       GLU  27  15.702 -14.833  -1.811
  201   1HG   GLU  27          2HG       GLU  27  13.374 -14.613  -2.548
  202   2HG   GLU  27          1HG       GLU  27  13.816 -15.214  -4.147
  203    H    GLN  28           H        GLN  28  15.636 -11.785  -1.412
  204    HA   GLN  28           HA       GLN  28  12.892 -11.430  -1.020
  205   1HB   GLN  28          2HB       GLN  28  13.620  -9.306   0.153
  206   2HB   GLN  28          1HB       GLN  28  14.362 -10.796   0.724
  207   1HG   GLN  28          2HG       GLN  28  16.083  -9.977  -1.275
  208   2HG   GLN  28          1HG       GLN  28  15.589  -8.455  -0.531
  209   1HE2  GLN  28          2HE2      GLN  28  18.252  -9.113   1.680
  210   2HE2  GLN  28          1HE2      GLN  28  17.737  -8.234   0.284
  211    H    GLY  29           H        GLY  29  14.925 -10.255  -3.479
  212   1HA   GLY  29          2HA       GLY  29  14.710  -8.614  -5.095
  213   2HA   GLY  29          1HA       GLY  29  13.063  -9.239  -5.168
  214    H    SER  30           H        SER  30  12.494  -7.038  -5.778
  215    HA   SER  30           HA       SER  30  11.456  -5.550  -3.588
  216   1HB   SER  30          2HB       SER  30  12.785  -3.428  -4.268
  217   2HB   SER  30          1HB       SER  30  13.530  -4.594  -3.183
  218    HG   SER  30           HG       SER  30  13.911  -5.075  -5.888
  219    H    CYS  31           H        CYS  31  10.332  -3.583  -4.320
  220    HA   CYS  31           HA       CYS  31   8.796  -4.045  -6.632
  221   1HB   CYS  31          2HB       CYS  31   9.190  -1.490  -5.077
  222   2HB   CYS  31          1HB       CYS  31   7.898  -1.800  -6.222
  223    H    GLN  32           H        GLN  32   9.580  -3.958  -8.638
  224    HA   GLN  32           HA       GLN  32  11.090  -1.575  -9.454
  225   1HB   GLN  32          2HB       GLN  32  11.940  -4.436  -9.863
  226   2HB   GLN  32          1HB       GLN  32  12.538  -3.121 -10.871
  227   1HG   GLN  32          2HG       GLN  32  13.780  -2.198  -9.169
  228   2HG   GLN  32          1HG       GLN  32  12.693  -2.791  -7.911
  229   1HE2  GLN  32          2HE2      GLN  32  16.029  -4.737  -8.456
  230   2HE2  GLN  32          1HE2      GLN  32  15.712  -3.065  -8.752
  231    H    SER  33           H        SER  33  10.382  -0.755 -11.320
  232    HA   SER  33           HA       SER  33   8.047  -1.598 -12.566
  233   1HB   SER  33          2HB       SER  33   8.464   0.064 -14.173
  234   2HB   SER  33          1HB       SER  33   9.265   0.655 -12.724
  235    HG   SER  33           HG       SER  33  11.222  -0.307 -13.612
  236    H    THR  34           H        THR  34   7.657  -2.649 -14.564
  237    HA   THR  34           HA       THR  34   9.874  -4.093 -15.794
  238    HB   THR  34           HB       THR  34   8.744  -6.215 -15.673
  239    HG1  THR  34           HG1      THR  34   6.736  -4.920 -14.146
  240   1HG2  THR  34          3HG2      THR  34   9.058  -4.760 -13.060
  241   2HG2  THR  34          2HG2      THR  34   8.583  -6.458 -13.115
  242   3HG2  THR  34          1HG2      THR  34  10.131  -5.952 -13.798
  243    H    ILE  35           H        ILE  35   9.427  -4.826 -17.923
  244    HA   ILE  35           HA       ILE  35   7.811  -3.107 -19.461
  245    HB   ILE  35           HB       ILE  35   8.668  -5.830 -20.376
  246   1HG1  ILE  35          2HG1      ILE  35  10.701  -3.983 -20.993
  247   2HG1  ILE  35          1HG1      ILE  35  10.356  -3.780 -19.276
  248   1HG2  ILE  35          1HG2      ILE  35   7.514  -3.587 -21.616
  249   2HG2  ILE  35          3HG2      ILE  35   9.191  -3.644 -22.163
  250   3HG2  ILE  35          2HG2      ILE  35   8.141  -5.044 -22.391
  251   1HD1  ILE  35          2HD1      ILE  35  10.365  -6.545 -19.673
  252   2HD1  ILE  35          1HD1      ILE  35  11.721  -5.949 -20.631
  253   3HD1  ILE  35          3HD1      ILE  35  11.633  -5.586 -18.907
  254    H    SER  36           H        SER  36   7.237  -6.243 -18.019
  255    HA   SER  36           HA       SER  36   4.873  -6.924 -19.412
  256   1HB   SER  36          2HB       SER  36   4.609  -8.610 -17.809
  257   2HB   SER  36          1HB       SER  36   6.350  -8.372 -17.876
  258    HG   SER  36           HG       SER  36   5.548  -6.673 -16.091
  259    H    ALA  37           H        ALA  37   5.580  -4.801 -16.761
  260    HA   ALA  37           HA       ALA  37   2.972  -4.494 -15.708
  261   1HB   ALA  37          2HB       ALA  37   5.060  -3.783 -14.556
  262   2HB   ALA  37          1HB       ALA  37   5.224  -2.477 -15.733
  263   3HB   ALA  37          3HB       ALA  37   3.845  -2.506 -14.632
  264    H    LEU  38           H        LEU  38   4.367  -3.531 -18.644
  265    HA   LEU  38           HA       LEU  38   3.042  -1.104 -19.169
  266   1HB   LEU  38          2HB       LEU  38   4.057  -3.286 -20.989
  267   2HB   LEU  38          1HB       LEU  38   3.415  -1.754 -21.572
  268    HG   LEU  38           HG       LEU  38   5.826  -2.181 -19.818
  269   1HD1  LEU  38          3HD1      LEU  38   5.869  -2.456 -22.402
  270   2HD1  LEU  38          2HD1      LEU  38   5.775  -0.694 -22.416
  271   3HD1  LEU  38          1HD1      LEU  38   7.125  -1.500 -21.613
  272   1HD2  LEU  38          3HD2      LEU  38   4.187   0.245 -20.351
  273   2HD2  LEU  38          2HD2      LEU  38   5.081  -0.219 -18.901
  274   3HD2  LEU  38          1HD2      LEU  38   5.941   0.433 -20.298
  275    H    TRP  39           H        TRP  39   2.082  -4.461 -19.455
  276    HA   TRP  39           HA       TRP  39  -0.262  -4.116 -20.986
  277   1HB   TRP  39          2HB       TRP  39  -0.135  -6.206 -18.864
  278   2HB   TRP  39          1HB       TRP  39  -0.710  -6.325 -20.521
  279    HD1  TRP  39           HD1      TRP  39   1.512  -8.330 -19.112
  280    HE1  TRP  39           HE1      TRP  39   3.756  -8.594 -20.302
  281    HE3  TRP  39           HE3      TRP  39   1.492  -4.110 -22.017
  282    HZ2  TRP  39           HZ2      TRP  39   5.331  -7.247 -22.194
  283    HZ3  TRP  39           HZ3      TRP  39   3.405  -3.660 -23.498
  284    HH2  TRP  39           HH2      TRP  39   5.309  -5.214 -23.589
  285    H    LYS  40           H        LYS  40   0.535  -3.404 -17.735
  286    HA   LYS  40           HA       LYS  40  -2.266  -2.656 -17.172
  287   1HB   LYS  40          2HB       LYS  40  -1.657  -3.103 -14.741
  288   2HB   LYS  40          1HB       LYS  40  -1.857  -4.522 -15.766
  289   1HG   LYS  40          2HG       LYS  40   0.666  -4.434 -16.128
  290   2HG   LYS  40          1HG       LYS  40   0.713  -3.266 -14.810
  291   1HD   LYS  40          2HD       LYS  40  -0.699  -5.129 -13.566
  292   2HD   LYS  40          1HD       LYS  40   0.078  -6.182 -14.745
  293   1HE   LYS  40          2HE       LYS  40   1.590  -6.245 -12.988
  294   2HE   LYS  40          1HE       LYS  40   2.264  -4.966 -13.993
  295   1HZ   LYS  40          3HZ       LYS  40   0.945  -3.392 -12.564
  296   2HZ   LYS  40          2HZ       LYS  40   0.680  -4.696 -11.507
  297   3HZ   LYS  40          1HZ       LYS  40   2.261  -4.152 -11.810
  298    H    LYS  41           H        LYS  41  -0.289  -1.048 -18.385
  299    HA   LYS  41           HA       LYS  41   1.357   0.578 -17.069
  300   1HB   LYS  41          2HB       LYS  41   0.410   0.824 -19.439
  301   2HB   LYS  41          1HB       LYS  41  -0.840   1.823 -18.699
  302   1HG   LYS  41          2HG       LYS  41   0.672   3.469 -19.177
  303   2HG   LYS  41          1HG       LYS  41   1.301   2.987 -17.603
  304   1HD   LYS  41          2HD       LYS  41   2.366   1.350 -19.763
  305   2HD   LYS  41          1HD       LYS  41   2.717   3.060 -19.991
  306   1HE   LYS  41          2HE       LYS  41   3.278   2.765 -17.345
  307   2HE   LYS  41          1HE       LYS  41   3.723   1.176 -17.959
  308   1HZ   LYS  41          3HZ       LYS  41   4.646   3.450 -19.509
  309   2HZ   LYS  41          2HZ       LYS  41   5.354   3.263 -17.975
  310   3HZ   LYS  41          1HZ       LYS  41   5.444   2.006 -19.116
  311    H    CYS  42           HN       CYS  42   1.122   0.973 -14.942
  312    HA   CYS  42           HA       CYS  42  -1.015   1.447 -13.365
  313   1HB   CYS  42          2HB       CYS  42   1.472   1.514 -12.789
  314   2HB   CYS  42          1HB       CYS  42   1.414   3.215 -13.213
   
  No H/Q in entry =         314
  Start of MODEL    6
    1   1H    CYS   1          3H        CYS   1   1.760  -0.587   0.749
    2   2H    CYS   1          2H        CYS   1   1.515   1.084   0.569
    3   3H    CYS   1          1H        CYS   1   0.391  -0.018  -0.073
    4    HA   CYS   1           HA       CYS   1   2.027  -0.840  -1.629
    5   1HB   CYS   1          2HB       CYS   1   0.582   1.279  -2.037
    6   2HB   CYS   1          1HB       CYS   1   2.096   2.150  -1.837
    7    H    ALA   2           H        ALA   2   4.088  -0.195  -2.764
    8    HA   ALA   2           HA       ALA   2   6.107   0.864  -0.899
    9   1HB   ALA   2          2HB       ALA   2   5.928  -1.844  -2.024
   10   2HB   ALA   2          1HB       ALA   2   7.497  -1.068  -2.251
   11   3HB   ALA   2          3HB       ALA   2   6.833  -1.256  -0.627
   12    H    LYS   3           H        LYS   3   8.133   1.457  -2.032
   13    HA   LYS   3           HA       LYS   3   7.516   2.545  -4.703
   14   1HB   LYS   3          2HB       LYS   3   9.352   3.410  -2.488
   15   2HB   LYS   3          1HB       LYS   3   9.620   3.957  -4.141
   16   1HG   LYS   3          2HG       LYS   3   8.116   5.571  -3.783
   17   2HG   LYS   3          1HG       LYS   3   6.877   4.323  -3.661
   18   1HD   LYS   3          2HD       LYS   3   6.641   5.458  -1.643
   19   2HD   LYS   3          1HD       LYS   3   7.685   4.111  -1.197
   20   1HE   LYS   3          2HE       LYS   3   8.527   6.193  -0.242
   21   2HE   LYS   3          1HE       LYS   3   9.656   5.567  -1.440
   22   1HZ   LYS   3          3HZ       LYS   3   7.898   7.211  -2.800
   23   2HZ   LYS   3          2HZ       LYS   3   8.314   8.051  -1.384
   24   3HZ   LYS   3          1HZ       LYS   3   9.528   7.517  -2.445
   25    H    LYS   4           H        LYS   4   9.715   2.887  -5.967
   26    HA   LYS   4           HA       LYS   4  10.652   0.290  -6.645
   27   1HB   LYS   4          2HB       LYS   4  11.449   3.080  -7.435
   28   2HB   LYS   4          1HB       LYS   4  12.358   1.678  -7.995
   29   1HG   LYS   4          2HG       LYS   4  10.354   0.747  -9.016
   30   2HG   LYS   4          1HG       LYS   4   9.386   2.076  -8.383
   31   1HD   LYS   4          2HD       LYS   4  11.732   2.500 -10.231
   32   2HD   LYS   4          1HD       LYS   4  10.087   2.265 -10.818
   33   1HE   LYS   4          2HE       LYS   4   9.330   4.238  -9.654
   34   2HE   LYS   4          1HE       LYS   4  10.890   4.421  -8.857
   35   1HZ   LYS   4          1HZ       LYS   4  11.899   4.776 -11.034
   36   2HZ   LYS   4          3HZ       LYS   4  10.377   4.646 -11.772
   37   3HZ   LYS   4          2HZ       LYS   4  10.697   5.931 -10.707
   38    H    ARG   5           H        ARG   5  12.692  -0.630  -6.358
   39    HA   ARG   5           HA       ARG   5  14.738  -1.037  -5.376
   40   1HB   ARG   5          2HB       ARG   5  14.648   1.662  -4.065
   41   2HB   ARG   5          1HB       ARG   5  16.052   0.718  -4.555
   42   1HG   ARG   5          2HG       ARG   5  16.095   1.878  -6.464
   43   2HG   ARG   5          1HG       ARG   5  14.557   1.137  -6.899
   44   1HD   ARG   5          2HD       ARG   5  13.398   3.031  -6.489
   45   2HD   ARG   5          1HD       ARG   5  14.304   3.376  -5.016
   46    HE   ARG   5           HE       ARG   5  14.912   4.325  -7.696
   47   1HH1  ARG   5          1HH2      ARG   5  16.009   3.808  -4.423
   48   2HH1  ARG   5          2HH2      ARG   5  17.296   4.961  -4.538
   49   1HH2  ARG   5          2HH1      ARG   5  16.617   5.828  -7.855
   50   2HH2  ARG   5          1HH1      ARG   5  17.642   6.108  -6.487
   51    H    ASN   6           H        ASN   6  11.879  -0.842  -3.984
   52    HA   ASN   6           HA       ASN   6  12.720  -1.034  -1.192
   53   1HB   ASN   6          2HB       ASN   6  10.049  -0.946  -2.577
   54   2HB   ASN   6          1HB       ASN   6  10.209  -1.325  -0.865
   55   1HD2  ASN   6          2HD2      ASN   6  11.265   2.419  -2.184
   56   2HD2  ASN   6          1HD2      ASN   6  11.405   1.046  -3.223
   57    H    TRP   7           H        TRP   7  13.292  -2.933  -0.377
   58    HA   TRP   7           HA       TRP   7  13.327  -5.371  -1.626
   59   1HB   TRP   7          2HB       TRP   7  13.399  -4.481   1.183
   60   2HB   TRP   7          1HB       TRP   7  13.002  -6.176   0.921
   61    HD1  TRP   7           HD1      TRP   7  15.245  -5.165  -1.831
   62    HE1  TRP   7           HE1      TRP   7  17.646  -5.869  -1.327
   63    HE3  TRP   7           HE3      TRP   7  14.817  -6.289   3.137
   64    HZ2  TRP   7           HZ2      TRP   7  19.184  -6.777   0.839
   65    HZ3  TRP   7           HZ3      TRP   7  16.798  -7.075   4.374
   66    HH2  TRP   7           HH2      TRP   7  18.965  -7.318   3.236
   67    H    CYS   8           H        CYS   8  12.059  -7.293  -1.384
   68    HA   CYS   8           HA       CYS   8   9.175  -6.733  -1.061
   69   1HB   CYS   8          2HB       CYS   8  10.206  -7.462  -3.329
   70   2HB   CYS   8          1HB       CYS   8  10.292  -9.055  -2.591
   71    H    GLY   9           H        GLY   9   7.863  -8.479  -0.214
   72   1HA   GLY   9          2HA       GLY   9   9.179 -10.647   1.208
   73   2HA   GLY   9          1HA       GLY   9   8.417  -9.428   2.231
   74    H    LYS  10           H        LYS  10   6.646 -10.418   3.014
   75    HA   LYS  10           HA       LYS  10   4.818 -11.728   1.095
   76   1HB   LYS  10          2HB       LYS  10   3.973 -13.029   2.975
   77   2HB   LYS  10          1HB       LYS  10   5.715 -13.241   2.814
   78   1HG   LYS  10          2HG       LYS  10   5.329 -11.019   4.515
   79   2HG   LYS  10          1HG       LYS  10   4.212 -12.268   5.061
   80   1HD   LYS  10          2HD       LYS  10   6.242 -12.631   6.244
   81   2HD   LYS  10          1HD       LYS  10   6.172 -13.876   4.998
   82   1HE   LYS  10          2HE       LYS  10   7.513 -12.089   3.596
   83   2HE   LYS  10          1HE       LYS  10   7.937 -11.470   5.189
   84   1HZ   LYS  10          2HZ       LYS  10   8.437 -14.014   5.583
   85   2HZ   LYS  10          1HZ       LYS  10   8.685 -13.981   3.902
   86   3HZ   LYS  10          3HZ       LYS  10   9.593 -12.965   4.913
   87    H    THR  11           H        THR  11   3.077 -10.581   0.640
   88    HA   THR  11           HA       THR  11   1.275  -9.181   0.825
   89    HB   THR  11           HB       THR  11   1.717  -9.602   3.779
   90    HG1  THR  11           HG1      THR  11   0.058 -11.161   3.493
   91   1HG2  THR  11          3HG2      THR  11   0.013  -7.792   2.438
   92   2HG2  THR  11          2HG2      THR  11  -1.003  -9.099   3.050
   93   3HG2  THR  11          1HG2      THR  11   0.034  -8.193   4.155
   94    H    GLU  12           H        GLU  12   2.195  -7.365  -0.039
   95    HA   GLU  12           HA       GLU  12   2.597  -5.141   1.742
   96   1HB   GLU  12          2HB       GLU  12   4.907  -6.438   0.357
   97   2HB   GLU  12          1HB       GLU  12   4.889  -4.686   0.543
   98   1HG   GLU  12          2HG       GLU  12   4.243  -5.370   3.052
   99   2HG   GLU  12          1HG       GLU  12   5.155  -6.812   2.603
  100    H    ASP  13           H        ASP  13   3.021  -6.410  -1.537
  101    HA   ASP  13           HA       ASP  13   2.388  -5.610  -3.587
  102   1HB   ASP  13          2HB       ASP  13   0.641  -3.637  -2.129
  103   2HB   ASP  13          1HB       ASP  13   0.401  -4.334  -3.732
  104    H    CYS  14           H        CYS  14   3.010  -4.062  -5.046
  105    HA   CYS  14           HA       CYS  14   4.505  -1.762  -3.942
  106   1HB   CYS  14          2HB       CYS  14   4.855  -3.017  -6.663
  107   2HB   CYS  14          1HB       CYS  14   5.900  -1.838  -5.885
  108    H    CYS  15           H        CYS  15   4.670   0.020  -5.735
  109    HA   CYS  15           HA       CYS  15   1.908   0.701  -6.434
  110   1HB   CYS  15          2HB       CYS  15   4.447   2.283  -6.164
  111   2HB   CYS  15          1HB       CYS  15   3.012   2.963  -6.915
  112    H    CYS  16           H        CYS  16   1.372  -0.199  -8.329
  113    HA   CYS  16           HA       CYS  16   2.833  -1.004 -10.440
  114   1HB   CYS  16          2HB       CYS  16   0.853  -0.226 -11.895
  115   2HB   CYS  16          1HB       CYS  16   0.564  -1.401 -10.631
  116    HA   PRO  17           HA       PRO  17   2.747  -1.080 -12.629
  117   1HB   PRO  17          2HB       PRO  17   4.855  -1.157 -14.324
  118   2HB   PRO  17          1HB       PRO  17   3.321  -0.361 -14.713
  119   1HG   PRO  17          2HG       PRO  17   5.915   0.829 -13.923
  120   2HG   PRO  17          1HG       PRO  17   4.654   1.470 -14.988
  121   1HD   PRO  17          2HD       PRO  17   5.079   2.241 -12.349
  122   2HD   PRO  17          1HD       PRO  17   3.591   2.514 -13.277
  123    H    MET  18           H        MET  18   4.962   0.091 -10.527
  124    HA   MET  18           HA       MET  18   7.082  -1.725 -10.497
  125   1HB   MET  18          2HB       MET  18   5.713  -0.284  -8.228
  126   2HB   MET  18          1HB       MET  18   7.249  -1.128  -8.088
  127   1HG   MET  18          2HG       MET  18   8.385   0.547  -9.063
  128   2HG   MET  18          1HG       MET  18   7.175   0.747 -10.323
  129   1HE   MET  18          3HE       MET  18   6.152   0.736  -6.630
  130   2HE   MET  18          2HE       MET  18   7.746   1.453  -6.400
  131   3HE   MET  18          1HE       MET  18   6.302   2.424  -6.120
  132    H    LYS  19           H        LYS  19   7.146  -3.832 -10.125
  133    HA   LYS  19           HA       LYS  19   5.051  -5.060  -8.448
  134   1HB   LYS  19          2HB       LYS  19   4.604  -5.479 -10.856
  135   2HB   LYS  19          1HB       LYS  19   6.185  -6.245 -10.986
  136   1HG   LYS  19          2HG       LYS  19   5.439  -7.817  -9.141
  137   2HG   LYS  19          1HG       LYS  19   3.820  -7.154  -9.347
  138   1HD   LYS  19          2HD       LYS  19   4.946  -7.896 -11.903
  139   2HD   LYS  19          1HD       LYS  19   4.989  -9.259 -10.787
  140   1HE   LYS  19          2HE       LYS  19   2.469  -7.763 -10.724
  141   2HE   LYS  19          1HE       LYS  19   2.814  -8.499 -12.286
  142   1HZ   LYS  19          3HZ       LYS  19   3.388 -10.533 -10.739
  143   2HZ   LYS  19          2HZ       LYS  19   2.287  -9.758  -9.705
  144   3HZ   LYS  19          1HZ       LYS  19   1.804 -10.230 -11.263
  145    H    CYS  20           H        CYS  20   5.705  -6.854  -7.239
  146    HA   CYS  20           HA       CYS  20   8.230  -6.827  -6.115
  147   1HB   CYS  20          2HB       CYS  20   6.247  -7.992  -5.184
  148   2HB   CYS  20          1HB       CYS  20   6.426  -9.233  -6.415
  149    H    VAL  21           H        VAL  21   9.991  -6.848  -7.406
  150    HA   VAL  21           HA       VAL  21  10.252  -8.988  -9.416
  151    HB   VAL  21           HB       VAL  21  11.761  -6.406  -9.036
  152   1HG1  VAL  21          3HG1      VAL  21  12.112  -8.607 -11.069
  153   2HG1  VAL  21          2HG1      VAL  21  12.783  -6.984 -11.251
  154   3HG1  VAL  21          1HG1      VAL  21  13.302  -8.009  -9.912
  155   1HG2  VAL  21          2HG2      VAL  21   9.297  -6.928 -10.249
  156   2HG2  VAL  21          1HG2      VAL  21  10.282  -5.475 -10.430
  157   3HG2  VAL  21          3HG2      VAL  21  10.446  -6.800 -11.583
  158    H    TYR  22           H        TYR  22  12.467  -9.901  -9.655
  159    HA   TYR  22           HA       TYR  22  13.630 -10.438  -6.997
  160   1HB   TYR  22          2HB       TYR  22  12.680 -12.385  -8.133
  161   2HB   TYR  22          1HB       TYR  22  13.695 -12.073  -9.535
  162    HD1  TYR  22           HD2      TYR  22  16.221 -12.163  -9.223
  163    HD2  TYR  22           HD1      TYR  22  13.454 -13.670  -6.345
  164    HE1  TYR  22           HE2      TYR  22  18.007 -13.535  -8.220
  165    HE2  TYR  22           HE1      TYR  22  15.243 -15.040  -5.346
  166    HH   TYR  22           HH       TYR  22  17.676 -15.078  -5.209
  167    H    ALA  23           H        ALA  23  15.956 -10.755  -6.904
  168    HA   ALA  23           HA       ALA  23  17.396  -9.177  -8.944
  169   1HB   ALA  23          1HB       ALA  23  17.925  -9.331  -5.969
  170   2HB   ALA  23          3HB       ALA  23  18.915  -8.453  -7.134
  171   3HB   ALA  23          2HB       ALA  23  17.250  -7.951  -6.838
  172    H    TRP  24           H        TRP  24  19.273 -10.550  -6.424
  173    HA   TRP  24           HA       TRP  24  19.709 -13.131  -7.561
  174   1HB   TRP  24          2HB       TRP  24  22.237 -12.413  -7.987
  175   2HB   TRP  24          1HB       TRP  24  21.018 -12.366  -9.252
  176    HD1  TRP  24           HD1      TRP  24  19.851  -9.806  -9.638
  177    HE1  TRP  24           HE1      TRP  24  21.005  -7.534  -9.495
  178    HE3  TRP  24           HE3      TRP  24  24.021 -11.087  -6.952
  179    HZ2  TRP  24           HZ2      TRP  24  23.332  -6.399  -8.420
  180    HZ3  TRP  24           HZ3      TRP  24  25.676  -9.350  -6.403
  181    HH2  TRP  24           HH2      TRP  24  25.338  -7.025  -7.129
  182    H    TYR  25           H        TYR  25  21.730 -10.670  -5.975
  183    HA   TYR  25           HA       TYR  25  22.687 -12.526  -4.013
  184   1HB   TYR  25          2HB       TYR  25  24.041 -10.778  -3.257
  185   2HB   TYR  25          1HB       TYR  25  23.908 -10.497  -4.985
  186    HD1  TYR  25           HD2      TYR  25  22.812  -9.376  -1.654
  187    HD2  TYR  25           HD1      TYR  25  22.770  -8.572  -5.846
  188    HE1  TYR  25           HE2      TYR  25  21.953  -7.108  -1.213
  189    HE2  TYR  25           HE1      TYR  25  21.912  -6.304  -5.400
  190    HH   TYR  25           HH       TYR  25  21.066  -4.927  -3.848
  191    H    ASN  26           H        ASN  26  19.771 -11.110  -4.359
  192    HA   ASN  26           HA       ASN  26  19.130 -11.370  -1.536
  193   1HB   ASN  26          2HB       ASN  26  17.982  -9.191  -1.479
  194   2HB   ASN  26          1HB       ASN  26  19.715  -8.998  -1.753
  195   1HD2  ASN  26          2HD2      ASN  26  19.394  -7.805  -5.056
  196   2HD2  ASN  26          1HD2      ASN  26  20.440  -8.563  -3.908
  197    H    GLU  27           H        GLU  27  17.866 -13.107  -2.071
  198    HA   GLU  27           HA       GLU  27  16.112 -13.347  -4.227
  199   1HB   GLU  27          2HB       GLU  27  16.626 -15.313  -3.045
  200   2HB   GLU  27          1HB       GLU  27  16.166 -14.606  -1.499
  201   1HG   GLU  27          2HG       GLU  27  13.814 -14.557  -2.218
  202   2HG   GLU  27          1HG       GLU  27  14.273 -15.259  -3.770
  203    H    GLN  28           H        GLN  28  15.787 -11.547  -1.291
  204    HA   GLN  28           HA       GLN  28  12.982 -11.387  -1.108
  205   1HB   GLN  28          2HB       GLN  28  13.494  -9.214   0.101
  206   2HB   GLN  28          1HB       GLN  28  14.239 -10.667   0.756
  207   1HG   GLN  28          2HG       GLN  28  16.055  -9.695  -1.148
  208   2HG   GLN  28          1HG       GLN  28  15.491  -8.273  -0.271
  209   1HE2  GLN  28          2HE2      GLN  28  16.680  -9.474   2.909
  210   2HE2  GLN  28          1HE2      GLN  28  15.320  -8.693   2.185
  211    H    GLY  29           H        GLY  29  15.083 -10.210  -3.467
  212   1HA   GLY  29          2HA       GLY  29  14.922  -8.619  -5.134
  213   2HA   GLY  29          1HA       GLY  29  13.275  -9.239  -5.238
  214    H    SER  30           H        SER  30  12.932  -6.951  -5.969
  215    HA   SER  30           HA       SER  30  11.890  -5.396  -3.760
  216   1HB   SER  30          2HB       SER  30  13.107  -3.319  -4.728
  217   2HB   SER  30          1HB       SER  30  13.975  -4.385  -3.630
  218    HG   SER  30           HG       SER  30  15.134  -3.822  -5.608
  219    H    CYS  31           H        CYS  31  10.703  -3.464  -4.567
  220    HA   CYS  31           HA       CYS  31   9.008  -4.177  -6.739
  221   1HB   CYS  31          2HB       CYS  31   9.297  -1.550  -5.278
  222   2HB   CYS  31          1HB       CYS  31   7.965  -1.997  -6.327
  223    H    GLN  32           H        GLN  32   9.432  -3.923  -8.835
  224    HA   GLN  32           HA       GLN  32  10.857  -1.530  -9.751
  225   1HB   GLN  32          2HB       GLN  32  11.759  -4.360 -10.162
  226   2HB   GLN  32          1HB       GLN  32  12.126  -3.121 -11.359
  227   1HG   GLN  32          2HG       GLN  32  13.287  -1.792  -9.693
  228   2HG   GLN  32          1HG       GLN  32  12.819  -2.921  -8.421
  229   1HE2  GLN  32          2HE2      GLN  32  15.998  -4.321  -8.935
  230   2HE2  GLN  32          1HE2      GLN  32  15.008  -3.327  -7.926
  231    H    SER  33           H        SER  33  10.101  -0.753 -11.640
  232    HA   SER  33           HA       SER  33   7.636  -1.661 -12.664
  233   1HB   SER  33          2HB       SER  33   8.308  -0.076 -14.604
  234   2HB   SER  33          1HB       SER  33   8.039   0.603 -13.003
  235    HG   SER  33           HG       SER  33  10.336   0.475 -14.502
  236    H    THR  34           H        THR  34   7.362  -3.506 -13.728
  237    HA   THR  34           HA       THR  34   9.498  -4.646 -15.330
  238    HB   THR  34           HB       THR  34   8.024  -6.591 -15.504
  239    HG1  THR  34           HG1      THR  34   5.982  -6.530 -14.805
  240   1HG2  THR  34          2HG2      THR  34   9.132  -5.522 -13.105
  241   2HG2  THR  34          1HG2      THR  34   7.643  -6.378 -12.699
  242   3HG2  THR  34          3HG2      THR  34   8.935  -7.214 -13.566
  243    H    ILE  35           H        ILE  35   9.262  -5.206 -17.528
  244    HA   ILE  35           HA       ILE  35   8.031  -3.266 -19.155
  245    HB   ILE  35           HB       ILE  35   8.717  -6.027 -20.101
  246   1HG1  ILE  35          2HG1      ILE  35  10.963  -4.316 -20.368
  247   2HG1  ILE  35          1HG1      ILE  35  10.449  -4.254 -18.683
  248   1HG2  ILE  35          1HG2      ILE  35   7.708  -4.084 -21.524
  249   2HG2  ILE  35          3HG2      ILE  35   9.357  -3.457 -21.489
  250   3HG2  ILE  35          2HG2      ILE  35   9.033  -5.053 -22.171
  251   1HD1  ILE  35          3HD1      ILE  35  10.478  -6.953 -19.867
  252   2HD1  ILE  35          2HD1      ILE  35  12.062  -6.188 -19.724
  253   3HD1  ILE  35          1HD1      ILE  35  11.053  -6.403 -18.291
  254    H    SER  36           H        SER  36   7.000  -6.458 -18.086
  255    HA   SER  36           HA       SER  36   4.743  -6.725 -19.766
  256   1HB   SER  36          2HB       SER  36   4.143  -8.531 -18.402
  257   2HB   SER  36          1HB       SER  36   5.895  -8.476 -18.262
  258    HG   SER  36           HG       SER  36   5.712  -7.720 -16.231
  259    H    ALA  37           H        ALA  37   5.363  -4.998 -16.820
  260    HA   ALA  37           HA       ALA  37   2.713  -4.507 -15.980
  261   1HB   ALA  37          2HB       ALA  37   4.864  -4.126 -14.677
  262   2HB   ALA  37          1HB       ALA  37   5.046  -2.636 -15.605
  263   3HB   ALA  37          3HB       ALA  37   3.647  -2.853 -14.552
  264    H    LEU  38           H        LEU  38   4.531  -3.356 -18.621
  265    HA   LEU  38           HA       LEU  38   3.469  -0.789 -19.008
  266   1HB   LEU  38          2HB       LEU  38   4.459  -2.841 -20.988
  267   2HB   LEU  38          1HB       LEU  38   4.092  -1.168 -21.393
  268    HG   LEU  38           HG       LEU  38   6.092  -2.025 -19.307
  269   1HD1  LEU  38          2HD1      LEU  38   6.515  -2.489 -21.872
  270   2HD1  LEU  38          1HD1      LEU  38   6.906  -0.768 -21.881
  271   3HD1  LEU  38          3HD1      LEU  38   7.797  -1.870 -20.830
  272   1HD2  LEU  38          2HD2      LEU  38   4.807   0.395 -19.616
  273   2HD2  LEU  38          1HD2      LEU  38   6.346   0.146 -18.790
  274   3HD2  LEU  38          3HD2      LEU  38   6.324   0.639 -20.485
  275    H    TRP  39           H        TRP  39   2.288  -3.988 -19.861
  276    HA   TRP  39           HA       TRP  39   0.161  -3.212 -21.543
  277   1HB   TRP  39          2HB       TRP  39  -0.130  -5.584 -19.767
  278   2HB   TRP  39          1HB       TRP  39  -0.505  -5.408 -21.475
  279    HD1  TRP  39           HD1      TRP  39   1.348  -7.799 -20.141
  280    HE1  TRP  39           HE1      TRP  39   3.688  -8.128 -21.108
  281    HE3  TRP  39           HE3      TRP  39   2.042  -3.246 -22.384
  282    HZ2  TRP  39           HZ2      TRP  39   5.589  -6.707 -22.603
  283    HZ3  TRP  39           HZ3      TRP  39   4.153  -2.798 -23.570
  284    HH2  TRP  39           HH2      TRP  39   5.912  -4.512 -23.681
  285    H    LYS  40           H        LYS  40   0.600  -3.203 -18.121
  286    HA   LYS  40           HA       LYS  40  -2.169  -2.241 -17.747
  287   1HB   LYS  40          2HB       LYS  40  -1.970  -3.137 -15.415
  288   2HB   LYS  40          1HB       LYS  40  -1.980  -4.379 -16.664
  289   1HG   LYS  40          2HG       LYS  40   0.509  -4.431 -16.564
  290   2HG   LYS  40          1HG       LYS  40   0.447  -3.281 -15.232
  291   1HD   LYS  40          2HD       LYS  40  -0.904  -5.985 -15.199
  292   2HD   LYS  40          1HD       LYS  40   0.690  -5.670 -14.516
  293   1HE   LYS  40          2HE       LYS  40  -0.317  -3.970 -13.023
  294   2HE   LYS  40          1HE       LYS  40  -1.905  -4.362 -13.675
  295   1HZ   LYS  40          1HZ       LYS  40  -0.121  -6.300 -12.309
  296   2HZ   LYS  40          3HZ       LYS  40  -1.406  -5.485 -11.562
  297   3HZ   LYS  40          2HZ       LYS  40  -1.716  -6.576 -12.827
  298    H    LYS  41           H        LYS  41   0.042  -0.637 -18.466
  299    HA   LYS  41           HA       LYS  41   1.597   0.577 -16.633
  300   1HB   LYS  41          2HB       LYS  41   0.743   1.242 -19.143
  301   2HB   LYS  41          1HB       LYS  41   0.074   2.553 -18.174
  302   1HG   LYS  41          2HG       LYS  41   2.160   3.306 -17.506
  303   2HG   LYS  41          1HG       LYS  41   2.918   1.734 -17.743
  304   1HD   LYS  41          2HD       LYS  41   2.262   2.216 -20.277
  305   2HD   LYS  41          1HD       LYS  41   2.343   3.886 -19.720
  306   1HE   LYS  41          2HE       LYS  41   4.597   3.827 -19.455
  307   2HE   LYS  41          1HE       LYS  41   4.589   2.161 -18.886
  308   1HZ   LYS  41          2HZ       LYS  41   4.276   3.029 -21.708
  309   2HZ   LYS  41          1HZ       LYS  41   5.683   2.368 -21.024
  310   3HZ   LYS  41          3HZ       LYS  41   4.283   1.422 -21.160
  311    H    CYS  42           HN       CYS  42   1.308   1.327 -14.686
  312    HA   CYS  42           HA       CYS  42  -1.135   1.651 -13.371
  313   1HB   CYS  42          2HB       CYS  42   1.237   1.390 -12.456
  314   2HB   CYS  42          1HB       CYS  42   1.383   3.123 -12.649
   
  No H/Q in entry =         314
  Start of MODEL    7
    1   1H    CYS   1          1H        CYS   1   2.095  -0.036   0.917
    2   2H    CYS   1          3H        CYS   1   0.662   0.165   0.032
    3   3H    CYS   1          2H        CYS   1   1.278  -1.394   0.306
    4    HA   CYS   1           HA       CYS   1   2.339  -1.282  -1.606
    5   1HB   CYS   1          2HB       CYS   1   0.622   0.612  -2.049
    6   2HB   CYS   1          1HB       CYS   1   1.986   1.689  -1.796
    7    H    ALA   2           H        ALA   2   4.319  -0.355  -2.676
    8    HA   ALA   2           HA       ALA   2   6.110   1.016  -0.789
    9   1HB   ALA   2          2HB       ALA   2   6.521  -1.677  -2.053
   10   2HB   ALA   2          1HB       ALA   2   7.903  -0.656  -1.649
   11   3HB   ALA   2          3HB       ALA   2   6.793  -1.180  -0.381
   12    H    LYS   3           H        LYS   3   8.189   1.638  -1.938
   13    HA   LYS   3           HA       LYS   3   7.501   2.625  -4.631
   14   1HB   LYS   3          2HB       LYS   3   9.306   3.635  -2.455
   15   2HB   LYS   3          1HB       LYS   3   9.542   4.146  -4.124
   16   1HG   LYS   3          2HG       LYS   3   8.117   5.797  -3.387
   17   2HG   LYS   3          1HG       LYS   3   6.949   4.627  -3.998
   18   1HD   LYS   3          2HD       LYS   3   5.995   4.740  -1.970
   19   2HD   LYS   3          1HD       LYS   3   7.368   3.797  -1.396
   20   1HE   LYS   3          2HE       LYS   3   7.839   5.510  -0.032
   21   2HE   LYS   3          1HE       LYS   3   8.316   6.412  -1.467
   22   1HZ   LYS   3          2HZ       LYS   3   5.492   6.421  -1.104
   23   2HZ   LYS   3          1HZ       LYS   3   6.291   7.038   0.261
   24   3HZ   LYS   3          3HZ       LYS   3   6.564   7.729  -1.263
   25    H    LYS   4           H        LYS   4   9.701   3.056  -5.895
   26    HA   LYS   4           HA       LYS   4  10.713   0.513  -6.596
   27   1HB   LYS   4          2HB       LYS   4  11.908   3.219  -7.211
   28   2HB   LYS   4          1HB       LYS   4  12.209   1.715  -8.078
   29   1HG   LYS   4          2HG       LYS   4   9.371   2.279  -7.902
   30   2HG   LYS   4          1HG       LYS   4  10.243   3.616  -8.648
   31   1HD   LYS   4          2HD       LYS   4  10.675   0.762  -9.506
   32   2HD   LYS   4          1HD       LYS   4   9.391   1.753 -10.193
   33   1HE   LYS   4          2HE       LYS   4  11.925   3.166 -10.161
   34   2HE   LYS   4          1HE       LYS   4  12.050   1.642 -11.034
   35   1HZ   LYS   4          1HZ       LYS   4   9.774   2.543 -12.018
   36   2HZ   LYS   4          3HZ       LYS   4  10.512   4.029 -11.667
   37   3HZ   LYS   4          2HZ       LYS   4  11.284   2.923 -12.700
   38    H    ARG   5           H        ARG   5  12.639  -0.493  -6.155
   39    HA   ARG   5           HA       ARG   5  14.668  -0.931  -5.145
   40   1HB   ARG   5          2HB       ARG   5  14.597   1.780  -3.852
   41   2HB   ARG   5          1HB       ARG   5  15.995   0.796  -4.275
   42   1HG   ARG   5          2HG       ARG   5  16.138   1.860  -6.232
   43   2HG   ARG   5          1HG       ARG   5  14.537   1.263  -6.664
   44   1HD   ARG   5          2HD       ARG   5  13.601   3.283  -6.354
   45   2HD   ARG   5          1HD       ARG   5  14.409   3.499  -4.801
   46    HE   ARG   5           HE       ARG   5  15.993   4.785  -5.887
   47   1HH1  ARG   5          1HH2      ARG   5  14.396   2.693  -8.166
   48   2HH1  ARG   5          2HH2      ARG   5  15.121   3.431  -9.555
   49   1HH2  ARG   5          2HH1      ARG   5  16.915   5.804  -7.717
   50   2HH2  ARG   5          1HH1      ARG   5  16.552   5.200  -9.299
   51    H    ASN   6           H        ASN   6  11.806  -0.832  -3.869
   52    HA   ASN   6           HA       ASN   6  12.553  -0.968  -1.038
   53   1HB   ASN   6          2HB       ASN   6   9.917  -0.918  -2.495
   54   2HB   ASN   6          1HB       ASN   6  10.049  -1.256  -0.772
   55   1HD2  ASN   6          2HD2      ASN   6  11.117   2.468  -2.143
   56   2HD2  ASN   6          1HD2      ASN   6  11.314   1.071  -3.140
   57    H    TRP   7           H        TRP   7  13.156  -2.872  -0.248
   58    HA   TRP   7           HA       TRP   7  13.074  -5.316  -1.560
   59   1HB   TRP   7          2HB       TRP   7  13.361  -4.512   1.298
   60   2HB   TRP   7          1HB       TRP   7  13.184  -6.214   0.896
   61    HD1  TRP   7           HD1      TRP   7  14.975  -6.178  -1.818
   62    HE1  TRP   7           HE1      TRP   7  17.507  -5.935  -1.581
   63    HE3  TRP   7           HE3      TRP   7  15.235  -4.148   2.862
   64    HZ2  TRP   7           HZ2      TRP   7  19.386  -5.022   0.297
   65    HZ3  TRP   7           HZ3      TRP   7  17.436  -3.609   3.829
   66    HH2  TRP   7           HH2      TRP   7  19.497  -4.043   2.558
   67    H    CYS   8           H        CYS   8  11.764  -7.155  -1.346
   68    HA   CYS   8           HA       CYS   8   8.949  -6.557  -0.835
   69   1HB   CYS   8          2HB       CYS   8  10.465  -8.525  -2.401
   70   2HB   CYS   8          1HB       CYS   8   9.040  -9.174  -1.606
   71    H    GLY   9           H        GLY   9   7.802  -7.344   0.844
   72   1HA   GLY   9          2HA       GLY   9   8.375  -9.666   2.326
   73   2HA   GLY   9          1HA       GLY   9   9.066  -8.280   3.171
   74    H    LYS  10           H        LYS  10   6.079  -8.562   1.272
   75    HA   LYS  10           HA       LYS  10   4.297  -8.655   3.466
   76   1HB   LYS  10          2HB       LYS  10   5.230  -6.357   3.794
   77   2HB   LYS  10          1HB       LYS  10   4.576  -5.921   2.217
   78   1HG   LYS  10          2HG       LYS  10   2.331  -6.297   2.957
   79   2HG   LYS  10          1HG       LYS  10   2.886  -7.031   4.458
   80   1HD   LYS  10          2HD       LYS  10   3.459  -4.166   3.699
   81   2HD   LYS  10          1HD       LYS  10   2.068  -4.653   4.663
   82   1HE   LYS  10          2HE       LYS  10   4.140  -5.912   5.952
   83   2HE   LYS  10          1HE       LYS  10   4.890  -4.410   5.423
   84   1HZ   LYS  10          2HZ       LYS  10   2.372  -4.634   6.980
   85   2HZ   LYS  10          1HZ       LYS  10   3.887  -4.187   7.605
   86   3HZ   LYS  10          3HZ       LYS  10   3.105  -3.185   6.483
   87    H    THR  11           H        THR  11   2.045  -8.345   2.789
   88    HA   THR  11           HA       THR  11   1.618  -9.403   0.146
   89    HB   THR  11           HB       THR  11  -0.752  -9.399   0.790
   90    HG1  THR  11           HG1      THR  11   0.121  -8.261   3.236
   91   1HG2  THR  11          2HG2      THR  11   1.389 -10.675   2.316
   92   2HG2  THR  11          1HG2      THR  11  -0.139 -10.582   3.193
   93   3HG2  THR  11          3HG2      THR  11  -0.075 -11.372   1.618
   94    H    GLU  12           H        GLU  12   1.964  -7.990  -1.476
   95    HA   GLU  12           HA       GLU  12   0.078  -6.010  -2.094
   96   1HB   GLU  12          2HB       GLU  12   1.114  -3.978  -1.616
   97   2HB   GLU  12          1HB       GLU  12   1.418  -4.928  -0.165
   98   1HG   GLU  12          2HG       GLU  12   3.577  -5.554  -1.766
   99   2HG   GLU  12          1HG       GLU  12   3.304  -3.848  -2.127
  100    H    ASP  13           H        ASP  13   0.382  -5.160  -4.159
  101    HA   ASP  13           HA       ASP  13   2.483  -6.498  -5.724
  102   1HB   ASP  13          2HB       ASP  13   1.017  -5.675  -7.665
  103   2HB   ASP  13          1HB       ASP  13   0.371  -6.964  -6.650
  104    H    CYS  14           H        CYS  14   3.208  -4.286  -4.118
  105    HA   CYS  14           HA       CYS  14   4.196  -2.204  -4.186
  106   1HB   CYS  14          2HB       CYS  14   4.899  -3.126  -6.975
  107   2HB   CYS  14          1HB       CYS  14   5.734  -1.891  -6.043
  108    H    CYS  15           H        CYS  15   4.539  -0.243  -5.857
  109    HA   CYS  15           HA       CYS  15   1.816   0.532  -6.618
  110   1HB   CYS  15          2HB       CYS  15   4.343   2.049  -6.034
  111   2HB   CYS  15          1HB       CYS  15   2.978   2.820  -6.826
  112    H    CYS  16           H        CYS  16   1.447  -0.294  -8.608
  113    HA   CYS  16           HA       CYS  16   3.018  -0.871 -10.693
  114   1HB   CYS  16          2HB       CYS  16   1.151  -0.108 -12.211
  115   2HB   CYS  16          1HB       CYS  16   0.705  -1.225 -10.936
  116    HA   PRO  17           HA       PRO  17   3.113  -0.793 -12.858
  117   1HB   PRO  17          2HB       PRO  17   5.350  -0.723 -14.382
  118   2HB   PRO  17          1HB       PRO  17   3.837   0.080 -14.837
  119   1HG   PRO  17          2HG       PRO  17   6.339   1.241 -13.760
  120   2HG   PRO  17          1HG       PRO  17   5.156   1.942 -14.875
  121   1HD   PRO  17          2HD       PRO  17   5.358   2.528 -12.164
  122   2HD   PRO  17          1HD       PRO  17   3.944   2.850 -13.185
  123    H    MET  18           H        MET  18   5.131   0.260 -10.516
  124    HA   MET  18           HA       MET  18   7.275  -1.538 -10.455
  125   1HB   MET  18          2HB       MET  18   5.762  -0.154  -8.245
  126   2HB   MET  18          1HB       MET  18   7.251  -1.055  -7.995
  127   1HG   MET  18          2HG       MET  18   8.524   0.603  -8.823
  128   2HG   MET  18          1HG       MET  18   7.436   0.876 -10.178
  129   1HE   MET  18          3HE       MET  18   6.099   0.779  -6.614
  130   2HE   MET  18          2HE       MET  18   7.655   1.486  -6.185
  131   3HE   MET  18          1HE       MET  18   6.186   2.450  -6.041
  132    H    LYS  19           H        LYS  19   7.442  -3.624  -9.924
  133    HA   LYS  19           HA       LYS  19   5.275  -4.943  -8.451
  134   1HB   LYS  19          2HB       LYS  19   4.870  -5.201 -10.921
  135   2HB   LYS  19          1HB       LYS  19   6.395  -6.079 -11.013
  136   1HG   LYS  19          2HG       LYS  19   5.149  -7.357  -8.941
  137   2HG   LYS  19          1HG       LYS  19   3.782  -6.939  -9.973
  138   1HD   LYS  19          2HD       LYS  19   5.962  -7.949 -11.567
  139   2HD   LYS  19          1HD       LYS  19   5.567  -9.091 -10.284
  140   1HE   LYS  19          2HE       LYS  19   3.303  -7.891 -11.794
  141   2HE   LYS  19          1HE       LYS  19   4.293  -9.082 -12.632
  142   1HZ   LYS  19          3HZ       LYS  19   3.039  -9.522  -9.981
  143   2HZ   LYS  19          2HZ       LYS  19   2.367 -10.036 -11.454
  144   3HZ   LYS  19          1HZ       LYS  19   3.851 -10.671 -10.927
  145    H    CYS  20           H        CYS  20   5.931  -6.756  -7.300
  146    HA   CYS  20           HA       CYS  20   8.510  -6.791  -6.273
  147   1HB   CYS  20          2HB       CYS  20   6.385  -7.892  -5.369
  148   2HB   CYS  20          1HB       CYS  20   6.768  -9.239  -6.431
  149    H    VAL  21           H        VAL  21  10.205  -6.916  -7.634
  150    HA   VAL  21           HA       VAL  21  10.307  -9.109  -9.598
  151    HB   VAL  21           HB       VAL  21  11.925  -6.576  -9.359
  152   1HG1  VAL  21          1HG1      VAL  21  12.098  -8.876 -11.293
  153   2HG1  VAL  21          3HG1      VAL  21  12.729  -7.272 -11.666
  154   3HG1  VAL  21          2HG1      VAL  21  13.380  -8.180 -10.300
  155   1HG2  VAL  21          2HG2      VAL  21   9.376  -7.032 -10.433
  156   2HG2  VAL  21          1HG2      VAL  21  10.395  -5.610 -10.672
  157   3HG2  VAL  21          3HG2      VAL  21  10.463  -6.947 -11.821
  158    H    TYR  22           H        TYR  22  12.487 -10.090  -9.911
  159    HA   TYR  22           HA       TYR  22  13.744 -10.631  -7.295
  160   1HB   TYR  22          2HB       TYR  22  12.629 -12.464  -8.733
  161   2HB   TYR  22          1HB       TYR  22  14.041 -12.308  -9.769
  162    HD1  TYR  22           HD1      TYR  22  16.352 -12.362  -8.441
  163    HD2  TYR  22           HD2      TYR  22  12.675 -14.034  -7.064
  164    HE1  TYR  22           HE1      TYR  22  17.598 -13.873  -6.942
  165    HE2  TYR  22           HE2      TYR  22  13.923 -15.544  -5.568
  166    HH   TYR  22           HH       TYR  22  17.450 -15.668  -5.599
  167    H    ALA  23           H        ALA  23  15.989 -10.602  -7.100
  168    HA   ALA  23           HA       ALA  23  17.402  -9.193  -9.273
  169   1HB   ALA  23          1HB       ALA  23  17.832  -9.226  -6.286
  170   2HB   ALA  23          3HB       ALA  23  19.031  -8.588  -7.413
  171   3HB   ALA  23          2HB       ALA  23  17.431  -7.847  -7.314
  172    H    TRP  24           H        TRP  24  19.461 -10.416  -6.873
  173    HA   TRP  24           HA       TRP  24  19.879 -13.000  -8.126
  174   1HB   TRP  24          2HB       TRP  24  22.450 -12.161  -8.125
  175   2HB   TRP  24          1HB       TRP  24  21.414 -12.159  -9.544
  176    HD1  TRP  24           HD1      TRP  24  19.941  -9.628  -9.756
  177    HE1  TRP  24           HE1      TRP  24  20.976  -7.307  -9.520
  178    HE3  TRP  24           HE3      TRP  24  24.223 -10.813  -7.213
  179    HZ2  TRP  24           HZ2      TRP  24  23.265  -6.102  -8.432
  180    HZ3  TRP  24           HZ3      TRP  24  25.799  -9.021  -6.606
  181    HH2  TRP  24           HH2      TRP  24  25.327  -6.684  -7.209
  182    H    TYR  25           H        TYR  25  21.871 -10.818  -6.157
  183    HA   TYR  25           HA       TYR  25  22.282 -12.913  -4.209
  184   1HB   TYR  25          2HB       TYR  25  24.058 -11.672  -3.447
  185   2HB   TYR  25          1HB       TYR  25  24.007 -11.193  -5.132
  186    HD1  TYR  25           HD1      TYR  25  22.726  -9.032  -5.696
  187    HD2  TYR  25           HD2      TYR  25  23.969 -10.083  -1.751
  188    HE1  TYR  25           HE1      TYR  25  22.549  -6.672  -5.011
  189    HE2  TYR  25           HE2      TYR  25  23.786  -7.722  -1.068
  190    HH   TYR  25           HH       TYR  25  22.368  -5.310  -3.127
  191    H    ASN  26           H        ASN  26  19.715 -11.218  -4.701
  192    HA   ASN  26           HA       ASN  26  19.099 -10.873  -1.853
  193   1HB   ASN  26          2HB       ASN  26  19.179  -8.752  -3.902
  194   2HB   ASN  26          1HB       ASN  26  17.717  -8.790  -2.915
  195   1HD2  ASN  26          2HD2      ASN  26  21.255  -7.587  -1.368
  196   2HD2  ASN  26          1HD2      ASN  26  21.090  -8.156  -2.989
  197    H    GLU  27           H        GLU  27  17.981 -12.902  -2.268
  198    HA   GLU  27           HA       GLU  27  15.958 -13.223  -4.192
  199   1HB   GLU  27          2HB       GLU  27  16.934 -15.092  -2.928
  200   2HB   GLU  27          1HB       GLU  27  16.162 -14.495  -1.459
  201   1HG   GLU  27          2HG       GLU  27  13.952 -14.687  -2.711
  202   2HG   GLU  27          1HG       GLU  27  14.839 -15.586  -3.942
  203    H    GLN  28           H        GLN  28  16.069 -11.321  -1.369
  204    HA   GLN  28           HA       GLN  28  13.362 -11.305  -0.593
  205   1HB   GLN  28          2HB       GLN  28  13.983  -8.966   0.269
  206   2HB   GLN  28          1HB       GLN  28  14.855 -10.344   0.932
  207   1HG   GLN  28          2HG       GLN  28  16.237  -9.466  -1.402
  208   2HG   GLN  28          1HG       GLN  28  15.907  -8.054  -0.400
  209   1HE2  GLN  28          2HE2      GLN  28  18.219  -8.865   2.063
  210   2HE2  GLN  28          1HE2      GLN  28  17.037  -7.765   1.446
  211    H    GLY  29           H        GLY  29  14.844 -10.218  -3.425
  212   1HA   GLY  29          2HA       GLY  29  14.187  -8.883  -5.179
  213   2HA   GLY  29          1HA       GLY  29  12.572  -9.462  -4.771
  214    H    SER  30           H        SER  30  12.476  -7.091  -5.788
  215    HA   SER  30           HA       SER  30  11.651  -5.388  -3.610
  216   1HB   SER  30          2HB       SER  30  13.054  -3.456  -4.629
  217   2HB   SER  30          1HB       SER  30  13.821  -4.578  -3.514
  218    HG   SER  30           HG       SER  30  15.171  -4.473  -5.263
  219    H    CYS  31           H        CYS  31  10.598  -3.418  -4.404
  220    HA   CYS  31           HA       CYS  31   8.888  -3.990  -6.616
  221   1HB   CYS  31          2HB       CYS  31   9.261  -1.516  -4.930
  222   2HB   CYS  31          1HB       CYS  31   7.996  -1.713  -6.129
  223    H    GLN  32           H        GLN  32   9.428  -3.715  -8.678
  224    HA   GLN  32           HA       GLN  32  10.755  -1.267  -9.529
  225   1HB   GLN  32          2HB       GLN  32  11.969  -3.997  -9.790
  226   2HB   GLN  32          1HB       GLN  32  12.307  -2.750 -10.988
  227   1HG   GLN  32          2HG       GLN  32  13.152  -1.268  -9.239
  228   2HG   GLN  32          1HG       GLN  32  12.755  -2.467  -8.008
  229   1HE2  GLN  32          2HE2      GLN  32  15.565  -4.466  -8.572
  230   2HE2  GLN  32          1HE2      GLN  32  14.036  -4.286  -7.787
  231    H    SER  33           H        SER  33  10.026  -0.597 -11.468
  232    HA   SER  33           HA       SER  33   7.736  -1.569 -12.634
  233   1HB   SER  33          2HB       SER  33   8.461  -0.294 -14.660
  234   2HB   SER  33          1HB       SER  33   8.543   0.626 -13.166
  235    HG   SER  33           HG       SER  33  10.776   0.288 -13.138
  236    H    THR  34           H        THR  34   7.389  -2.670 -14.679
  237    HA   THR  34           HA       THR  34   9.557  -4.383 -15.610
  238    HB   THR  34           HB       THR  34   7.973  -6.341 -15.553
  239    HG1  THR  34           HG1      THR  34   6.005  -5.705 -15.091
  240   1HG2  THR  34          2HG2      THR  34   9.656  -5.307 -13.567
  241   2HG2  THR  34          1HG2      THR  34   8.198  -5.828 -12.720
  242   3HG2  THR  34          3HG2      THR  34   9.092  -6.972 -13.725
  243    H    ILE  35           H        ILE  35   9.232  -5.240 -17.693
  244    HA   ILE  35           HA       ILE  35   7.931  -3.548 -19.512
  245    HB   ILE  35           HB       ILE  35   8.964  -6.361 -19.760
  246   1HG1  ILE  35          2HG1      ILE  35  10.604  -4.592 -19.273
  247   2HG1  ILE  35          1HG1      ILE  35  10.835  -5.287 -20.874
  248   1HG2  ILE  35          3HG2      ILE  35   7.623  -4.592 -21.752
  249   2HG2  ILE  35          2HG2      ILE  35   8.957  -5.619 -22.282
  250   3HG2  ILE  35          1HG2      ILE  35   7.522  -6.342 -21.552
  251   1HD1  ILE  35          3HD1      ILE  35   9.290  -3.322 -21.651
  252   2HD1  ILE  35          2HD1      ILE  35   9.762  -2.592 -20.115
  253   3HD1  ILE  35          1HD1      ILE  35  10.993  -3.005 -21.312
  254    H    SER  36           H        SER  36   6.960  -6.613 -18.045
  255    HA   SER  36           HA       SER  36   4.598  -6.998 -19.560
  256   1HB   SER  36          2HB       SER  36   4.091  -8.696 -18.030
  257   2HB   SER  36          1HB       SER  36   5.849  -8.642 -18.011
  258    HG   SER  36           HG       SER  36   5.601  -8.333 -15.927
  259    H    ALA  37           H        ALA  37   5.431  -5.034 -16.827
  260    HA   ALA  37           HA       ALA  37   2.825  -4.475 -15.863
  261   1HB   ALA  37          3HB       ALA  37   5.518  -3.639 -15.310
  262   2HB   ALA  37          2HB       ALA  37   4.462  -2.227 -15.395
  263   3HB   ALA  37          1HB       ALA  37   4.092  -3.541 -14.276
  264    H    LEU  38           H        LEU  38   4.475  -3.571 -18.685
  265    HA   LEU  38           HA       LEU  38   3.435  -1.004 -19.180
  266   1HB   LEU  38          2HB       LEU  38   4.281  -3.203 -21.067
  267   2HB   LEU  38          1HB       LEU  38   3.915  -1.556 -21.564
  268    HG   LEU  38           HG       LEU  38   6.062  -2.380 -19.611
  269   1HD1  LEU  38          3HD1      LEU  38   6.428  -2.900 -22.071
  270   2HD1  LEU  38          2HD1      LEU  38   6.447  -1.154 -22.334
  271   3HD1  LEU  38          1HD1      LEU  38   7.656  -1.902 -21.288
  272   1HD2  LEU  38          1HD2      LEU  38   5.331   0.337 -20.720
  273   2HD2  LEU  38          3HD2      LEU  38   5.143  -0.198 -19.049
  274   3HD2  LEU  38          2HD2      LEU  38   6.757  -0.010 -19.739
  275    H    TRP  39           H        TRP  39   2.177  -4.242 -19.692
  276    HA   TRP  39           HA       TRP  39  -0.048  -3.572 -21.296
  277   1HB   TRP  39          2HB       TRP  39  -0.186  -5.807 -19.325
  278   2HB   TRP  39          1HB       TRP  39  -0.730  -5.754 -20.996
  279    HD1  TRP  39           HD1      TRP  39   1.237  -8.072 -19.737
  280    HE1  TRP  39           HE1      TRP  39   3.483  -8.455 -20.891
  281    HE3  TRP  39           HE3      TRP  39   1.735  -3.627 -22.234
  282    HZ2  TRP  39           HZ2      TRP  39   5.246  -7.110 -22.611
  283    HZ3  TRP  39           HZ3      TRP  39   3.733  -3.242 -23.620
  284    HH2  TRP  39           HH2      TRP  39   5.475  -4.968 -23.808
  285    H    LYS  40           H        LYS  40   0.659  -3.178 -17.969
  286    HA   LYS  40           HA       LYS  40  -2.111  -2.297 -17.437
  287   1HB   LYS  40          2HB       LYS  40  -1.537  -2.823 -15.016
  288   2HB   LYS  40          1HB       LYS  40  -1.759  -4.210 -16.080
  289   1HG   LYS  40          2HG       LYS  40   0.745  -4.230 -16.406
  290   2HG   LYS  40          1HG       LYS  40   0.851  -3.021 -15.130
  291   1HD   LYS  40          2HD       LYS  40  -0.799  -5.214 -14.263
  292   2HD   LYS  40          1HD       LYS  40   0.749  -5.823 -14.843
  293   1HE   LYS  40          2HE       LYS  40   0.907  -3.430 -13.127
  294   2HE   LYS  40          1HE       LYS  40   0.317  -4.885 -12.328
  295   1HZ   LYS  40          2HZ       LYS  40   2.743  -4.968 -14.000
  296   2HZ   LYS  40          1HZ       LYS  40   2.824  -4.434 -12.390
  297   3HZ   LYS  40          3HZ       LYS  40   2.280  -6.002 -12.734
  298    H    LYS  41           H        LYS  41  -0.107  -0.688 -18.593
  299    HA   LYS  41           HA       LYS  41   1.575   0.861 -17.223
  300   1HB   LYS  41          2HB       LYS  41   0.372   1.172 -19.581
  301   2HB   LYS  41          1HB       LYS  41  -0.511   2.399 -18.677
  302   1HG   LYS  41          2HG       LYS  41   1.398   3.449 -19.698
  303   2HG   LYS  41          1HG       LYS  41   1.683   3.361 -17.962
  304   1HD   LYS  41          2HD       LYS  41   2.704   0.965 -18.990
  305   2HD   LYS  41          1HD       LYS  41   3.208   2.207 -20.135
  306   1HE   LYS  41          2HE       LYS  41   3.548   2.616 -17.180
  307   2HE   LYS  41          1HE       LYS  41   4.731   1.691 -18.100
  308   1HZ   LYS  41          1HZ       LYS  41   4.410   3.887 -19.616
  309   2HZ   LYS  41          3HZ       LYS  41   4.238   4.529 -18.056
  310   3HZ   LYS  41          2HZ       LYS  41   5.646   3.674 -18.470
  311    H    CYS  42           HN       CYS  42   1.480   1.482 -15.171
  312    HA   CYS  42           HA       CYS  42  -0.846   1.945 -13.667
  313   1HB   CYS  42          2HB       CYS  42   1.559   1.502 -12.878
  314   2HB   CYS  42          1HB       CYS  42   1.810   3.224 -13.087
   
  No H/Q in entry =         314
  Start of MODEL    8
    1   1H    CYS   1          3H        CYS   1   3.274  -1.503   1.381
    2   2H    CYS   1          2H        CYS   1   1.772  -0.931   0.831
    3   3H    CYS   1          1H        CYS   1   2.198  -2.561   0.606
    4    HA   CYS   1           HA       CYS   1   3.430  -2.156  -1.196
    5   1HB   CYS   1          2HB       CYS   1   1.191  -0.842  -1.393
    6   2HB   CYS   1          1HB       CYS   1   2.210   0.579  -1.233
    7    H    ALA   2           H        ALA   2   4.919  -0.591  -2.391
    8    HA   ALA   2           HA       ALA   2   6.311   1.314  -0.681
    9   1HB   ALA   2          2HB       ALA   2   7.406  -1.338  -1.473
   10   2HB   ALA   2          1HB       ALA   2   8.499   0.048  -1.512
   11   3HB   ALA   2          3HB       ALA   2   7.686  -0.393  -0.010
   12    H    LYS   3           H        LYS   3   8.470   1.890  -2.111
   13    HA   LYS   3           HA       LYS   3   7.386   2.660  -4.747
   14   1HB   LYS   3          2HB       LYS   3   9.326   3.962  -2.863
   15   2HB   LYS   3          1HB       LYS   3   9.331   4.368  -4.577
   16   1HG   LYS   3          2HG       LYS   3   7.844   5.944  -3.835
   17   2HG   LYS   3          1HG       LYS   3   6.720   4.623  -4.145
   18   1HD   LYS   3          2HD       LYS   3   7.437   4.045  -1.604
   19   2HD   LYS   3          1HD       LYS   3   7.607   5.799  -1.580
   20   1HE   LYS   3          2HE       LYS   3   5.212   5.481  -2.870
   21   2HE   LYS   3          1HE       LYS   3   5.187   4.142  -1.725
   22   1HZ   LYS   3          1HZ       LYS   3   5.732   5.770   0.033
   23   2HZ   LYS   3          3HZ       LYS   3   5.564   7.018  -1.103
   24   3HZ   LYS   3          2HZ       LYS   3   4.227   6.049  -0.703
   25    H    LYS   4           H        LYS   4   9.583   3.312  -6.123
   26    HA   LYS   4           HA       LYS   4  10.662   0.787  -6.891
   27   1HB   LYS   4          2HB       LYS   4  11.513   3.585  -7.657
   28   2HB   LYS   4          1HB       LYS   4  12.028   2.104  -8.461
   29   1HG   LYS   4          2HG       LYS   4   9.643   1.613  -8.981
   30   2HG   LYS   4          1HG       LYS   4   9.203   3.166  -8.276
   31   1HD   LYS   4          2HD       LYS   4   9.881   4.316 -10.095
   32   2HD   LYS   4          1HD       LYS   4  11.335   3.338 -10.284
   33   1HE   LYS   4          2HE       LYS   4  10.161   2.762 -12.190
   34   2HE   LYS   4          1HE       LYS   4   9.645   1.498 -11.079
   35   1HZ   LYS   4          2HZ       LYS   4   8.069   3.944 -11.094
   36   2HZ   LYS   4          1HZ       LYS   4   7.957   2.966 -12.479
   37   3HZ   LYS   4          3HZ       LYS   4   7.569   2.326 -10.958
   38    H    ARG   5           H        ARG   5  12.776   0.022  -6.709
   39    HA   ARG   5           HA       ARG   5  14.900  -0.214  -5.833
   40   1HB   ARG   5          2HB       ARG   5  14.572   2.436  -4.446
   41   2HB   ARG   5          1HB       ARG   5  16.062   1.627  -4.923
   42   1HG   ARG   5          2HG       ARG   5  16.032   2.780  -6.835
   43   2HG   ARG   5          1HG       ARG   5  14.543   1.949  -7.278
   44   1HD   ARG   5          2HD       ARG   5  13.251   3.750  -6.802
   45   2HD   ARG   5          1HD       ARG   5  14.197   4.176  -5.376
   46    HE   ARG   5           HE       ARG   5  14.654   5.089  -8.109
   47   1HH1  ARG   5          1HH2      ARG   5  15.921   4.685  -4.888
   48   2HH1  ARG   5          2HH2      ARG   5  17.043   5.997  -5.024
   49   1HH2  ARG   5          2HH1      ARG   5  16.096   6.855  -8.277
   50   2HH2  ARG   5          1HH1      ARG   5  17.144   7.229  -6.949
   51    H    ASN   6           H        ASN   6  12.065  -0.255  -4.327
   52    HA   ASN   6           HA       ASN   6  13.000  -0.490  -1.578
   53   1HB   ASN   6          2HB       ASN   6  10.299  -0.662  -2.903
   54   2HB   ASN   6          1HB       ASN   6  10.544  -1.054  -1.204
   55   1HD2  ASN   6          2HD2      ASN   6  11.170   2.811  -2.451
   56   2HD2  ASN   6          1HD2      ASN   6  11.461   1.483  -3.517
   57    H    TRP   7           H        TRP   7  11.991  -2.475  -0.386
   58    HA   TRP   7           HA       TRP   7  12.933  -4.853  -1.814
   59   1HB   TRP   7          2HB       TRP   7  12.647  -4.076   1.028
   60   2HB   TRP   7          1HB       TRP   7  12.444  -5.779   0.636
   61    HD1  TRP   7           HD1      TRP   7  14.733  -5.576  -1.823
   62    HE1  TRP   7           HE1      TRP   7  17.176  -5.615  -1.077
   63    HE3  TRP   7           HE3      TRP   7  14.181  -4.256   3.076
   64    HZ2  TRP   7           HZ2      TRP   7  18.697  -5.158   1.241
   65    HZ3  TRP   7           HZ3      TRP   7  16.173  -4.070   4.517
   66    HH2  TRP   7           HH2      TRP   7  18.415  -4.518   3.606
   67    H    CYS   8           H        CYS   8  11.706  -6.739  -1.970
   68    HA   CYS   8           HA       CYS   8   8.791  -6.313  -1.792
   69   1HB   CYS   8          2HB       CYS   8   9.357  -6.727  -4.029
   70   2HB   CYS   8          1HB       CYS   8  10.529  -7.964  -3.599
   71    H    GLY   9           H        GLY   9   8.464  -6.954   0.328
   72   1HA   GLY   9          2HA       GLY   9   9.492  -9.461   1.339
   73   2HA   GLY   9          1HA       GLY   9   8.389  -8.364   2.170
   74    H    LYS  10           H        LYS  10   6.884  -9.859   2.805
   75    HA   LYS  10           HA       LYS  10   5.506 -11.375   0.676
   76   1HB   LYS  10          2HB       LYS  10   4.785 -12.914   2.412
   77   2HB   LYS  10          1HB       LYS  10   6.538 -12.748   2.452
   78   1HG   LYS  10          2HG       LYS  10   6.529 -11.731   4.485
   79   2HG   LYS  10          1HG       LYS  10   5.027 -10.867   4.163
   80   1HD   LYS  10          2HD       LYS  10   3.877 -12.382   5.333
   81   2HD   LYS  10          1HD       LYS  10   4.465 -13.670   4.285
   82   1HE   LYS  10          2HE       LYS  10   6.370 -14.044   5.663
   83   2HE   LYS  10          1HE       LYS  10   6.094 -12.560   6.570
   84   1HZ   LYS  10          3HZ       LYS  10   3.813 -14.222   6.699
   85   2HZ   LYS  10          2HZ       LYS  10   5.187 -15.101   7.174
   86   3HZ   LYS  10          1HZ       LYS  10   4.788 -13.649   7.962
   87    H    THR  11           H        THR  11   3.177 -11.615   0.927
   88    HA   THR  11           HA       THR  11   1.164 -10.462   0.810
   89    HB   THR  11           HB       THR  11   0.871 -11.640   2.838
   90    HG1  THR  11           HG1      THR  11  -0.354 -10.125   4.053
   91   1HG2  THR  11          2HG2      THR  11   2.696  -9.567   4.048
   92   2HG2  THR  11          1HG2      THR  11   1.679 -10.631   5.024
   93   3HG2  THR  11          3HG2      THR  11   2.923 -11.315   3.978
   94    H    GLU  12           H        GLU  12   2.677  -8.703  -0.254
   95    HA   GLU  12           HA       GLU  12   1.653  -6.185   0.466
   96   1HB   GLU  12          2HB       GLU  12   3.641  -5.078   1.327
   97   2HB   GLU  12          1HB       GLU  12   3.188  -6.415   2.381
   98   1HG   GLU  12          2HG       GLU  12   4.870  -7.747   0.817
   99   2HG   GLU  12          1HG       GLU  12   5.538  -6.133   0.569
  100    H    ASP  13           H        ASP  13   1.392  -6.837  -1.869
  101    HA   ASP  13           HA       ASP  13   3.440  -6.955  -3.737
  102   1HB   ASP  13          2HB       ASP  13   0.807  -5.561  -4.211
  103   2HB   ASP  13          1HB       ASP  13   1.809  -6.419  -5.384
  104    H    CYS  14           H        CYS  14   3.916  -5.238  -5.406
  105    HA   CYS  14           HA       CYS  14   4.790  -2.822  -4.025
  106   1HB   CYS  14          2HB       CYS  14   5.257  -3.768  -6.859
  107   2HB   CYS  14          1HB       CYS  14   5.999  -2.354  -6.124
  108    H    CYS  15           H        CYS  15   4.687  -0.795  -5.563
  109    HA   CYS  15           HA       CYS  15   1.833  -0.371  -6.072
  110   1HB   CYS  15          2HB       CYS  15   4.171   1.471  -5.642
  111   2HB   CYS  15          1HB       CYS  15   2.626   2.060  -6.237
  112    H    CYS  16           H        CYS  16   1.345  -1.076  -8.065
  113    HA   CYS  16           HA       CYS  16   2.783  -1.384 -10.307
  114   1HB   CYS  16          2HB       CYS  16   0.720  -0.804 -11.614
  115   2HB   CYS  16          1HB       CYS  16   0.496  -1.980 -10.338
  116    HA   PRO  17           HA       PRO  17   2.622  -1.180 -12.464
  117   1HB   PRO  17          2HB       PRO  17   4.624  -0.767 -14.237
  118   2HB   PRO  17          1HB       PRO  17   2.987  -0.122 -14.449
  119   1HG   PRO  17          2HG       PRO  17   5.466   1.265 -13.624
  120   2HG   PRO  17          1HG       PRO  17   4.067   1.883 -14.515
  121   1HD   PRO  17          2HD       PRO  17   4.594   2.314 -11.809
  122   2HD   PRO  17          1HD       PRO  17   3.033   2.563 -12.616
  123    H    MET  18           H        MET  18   4.765  -0.062 -10.280
  124    HA   MET  18           HA       MET  18   7.128  -1.484 -10.575
  125   1HB   MET  18          2HB       MET  18   5.587  -0.779  -8.081
  126   2HB   MET  18          1HB       MET  18   7.237  -1.388  -8.086
  127   1HG   MET  18          2HG       MET  18   7.797   0.557  -9.627
  128   2HG   MET  18          1HG       MET  18   6.212   1.205  -9.225
  129   1HE   MET  18          3HE       MET  18   5.581   0.474  -6.705
  130   2HE   MET  18          2HE       MET  18   6.762   0.360  -5.403
  131   3HE   MET  18          1HE       MET  18   6.033   1.918  -5.790
  132    H    LYS  19           H        LYS  19   7.477  -3.579 -10.785
  133    HA   LYS  19           HA       LYS  19   5.548  -5.478  -9.603
  134   1HB   LYS  19          2HB       LYS  19   6.722  -5.285 -12.212
  135   2HB   LYS  19          1HB       LYS  19   7.225  -6.794 -11.455
  136   1HG   LYS  19          2HG       LYS  19   4.354  -6.016 -11.262
  137   2HG   LYS  19          1HG       LYS  19   4.949  -6.606 -12.811
  138   1HD   LYS  19          2HD       LYS  19   4.613  -8.673 -12.012
  139   2HD   LYS  19          1HD       LYS  19   6.010  -8.394 -10.974
  140   1HE   LYS  19          2HE       LYS  19   4.409  -7.366  -9.300
  141   2HE   LYS  19          1HE       LYS  19   3.096  -7.977 -10.301
  142   1HZ   LYS  19          3HZ       LYS  19   5.111  -9.934  -9.653
  143   2HZ   LYS  19          2HZ       LYS  19   4.268  -9.335  -8.306
  144   3HZ   LYS  19          1HZ       LYS  19   3.421 -10.053  -9.591
  145    H    CYS  20           H        CYS  20   6.264  -7.049  -8.255
  146    HA   CYS  20           HA       CYS  20   8.712  -6.706  -6.888
  147   1HB   CYS  20          2HB       CYS  20   6.877  -7.751  -5.761
  148   2HB   CYS  20          1HB       CYS  20   6.749  -8.995  -6.995
  149    H    VAL  21           H        VAL  21  10.571  -6.900  -7.994
  150    HA   VAL  21           HA       VAL  21  10.936  -9.203  -9.793
  151    HB   VAL  21           HB       VAL  21  12.726  -6.800  -9.518
  152   1HG1  VAL  21          3HG1      VAL  21  12.328  -8.848 -11.700
  153   2HG1  VAL  21          2HG1      VAL  21  13.343  -7.411 -11.844
  154   3HG1  VAL  21          1HG1      VAL  21  13.745  -8.661 -10.664
  155   1HG2  VAL  21          1HG2      VAL  21  10.052  -6.836 -10.464
  156   2HG2  VAL  21          3HG2      VAL  21  11.219  -5.515 -10.549
  157   3HG2  VAL  21          2HG2      VAL  21  11.107  -6.679 -11.870
  158    H    TYR  22           H        TYR  22  13.135 -10.185  -9.777
  159    HA   TYR  22           HA       TYR  22  14.021 -10.596  -7.002
  160   1HB   TYR  22          2HB       TYR  22  13.222 -12.541  -8.373
  161   2HB   TYR  22          1HB       TYR  22  14.593 -12.279  -9.441
  162    HD1  TYR  22           HD1      TYR  22  16.932 -12.391  -8.423
  163    HD2  TYR  22           HD2      TYR  22  13.436 -13.812  -6.430
  164    HE1  TYR  22           HE1      TYR  22  18.337 -13.767  -6.936
  165    HE2  TYR  22           HE2      TYR  22  14.845 -15.186  -4.945
  166    HH   TYR  22           HH       TYR  22  18.236 -15.621  -5.502
  167    H    ALA  23           H        ALA  23  16.333 -10.896  -6.645
  168    HA   ALA  23           HA       ALA  23  17.956  -9.266  -8.494
  169   1HB   ALA  23          2HB       ALA  23  18.053  -9.462  -5.480
  170   2HB   ALA  23          1HB       ALA  23  19.311  -8.688  -6.446
  171   3HB   ALA  23          3HB       ALA  23  17.670  -8.041  -6.454
  172    H    TRP  24           H        TRP  24  19.408 -10.806  -5.757
  173    HA   TRP  24           HA       TRP  24  20.175 -13.207  -7.177
  174   1HB   TRP  24          2HB       TRP  24  22.669 -12.465  -6.517
  175   2HB   TRP  24          1HB       TRP  24  21.972 -12.195  -8.108
  176    HD1  TRP  24           HD1      TRP  24  20.651  -9.592  -8.257
  177    HE1  TRP  24           HE1      TRP  24  21.631  -7.389  -7.426
  178    HE3  TRP  24           HE3      TRP  24  24.186 -11.355  -4.995
  179    HZ2  TRP  24           HZ2      TRP  24  23.608  -6.474  -5.660
  180    HZ3  TRP  24           HZ3      TRP  24  25.594  -9.752  -3.768
  181    HH2  TRP  24           HH2      TRP  24  25.309  -7.331  -4.095
  182    H    TYR  25           H        TYR  25  21.867 -11.428  -4.637
  183    HA   TYR  25           HA       TYR  25  21.622 -13.691  -2.853
  184   1HB   TYR  25          2HB       TYR  25  23.371 -12.783  -1.691
  185   2HB   TYR  25          1HB       TYR  25  23.674 -12.095  -3.276
  186    HD1  TYR  25           HD1      TYR  25  22.317  -9.793  -3.668
  187    HD2  TYR  25           HD2      TYR  25  23.536 -11.366   0.107
  188    HE1  TYR  25           HE1      TYR  25  22.217  -7.532  -2.691
  189    HE2  TYR  25           HE2      TYR  25  23.434  -9.104   1.081
  190    HH   TYR  25           HH       TYR  25  22.222  -6.358  -0.760
  191    H    ASN  26           H        ASN  26  19.439 -11.599  -3.659
  192    HA   ASN  26           HA       ASN  26  18.367 -11.302  -0.938
  193   1HB   ASN  26          2HB       ASN  26  18.926  -9.175  -2.928
  194   2HB   ASN  26          1HB       ASN  26  17.384  -9.074  -2.077
  195   1HD2  ASN  26          2HD2      ASN  26  20.530  -7.647  -0.267
  196   2HD2  ASN  26          1HD2      ASN  26  20.246  -7.772  -1.967
  197    H    GLU  27           H        GLU  27  17.085 -13.123  -1.459
  198    HA   GLU  27           HA       GLU  27  15.440 -13.390  -3.710
  199   1HB   GLU  27          2HB       GLU  27  15.837 -15.276  -2.272
  200   2HB   GLU  27          1HB       GLU  27  15.104 -14.443  -0.902
  201   1HG   GLU  27          2HG       GLU  27  12.973 -14.332  -2.316
  202   2HG   GLU  27          1HG       GLU  27  13.754 -15.501  -3.382
  203    H    GLN  28           H        GLN  28  15.140 -11.403  -0.903
  204    HA   GLN  28           HA       GLN  28  12.369 -11.003  -0.810
  205   1HB   GLN  28          2HB       GLN  28  12.901  -8.919   0.346
  206   2HB   GLN  28          1HB       GLN  28  13.904 -10.236   0.938
  207   1HG   GLN  28          2HG       GLN  28  15.727  -9.455  -0.581
  208   2HG   GLN  28          1HG       GLN  28  14.720  -8.073  -1.013
  209   1HE2  GLN  28          2HE2      GLN  28  14.813  -6.871   2.477
  210   2HE2  GLN  28          1HE2      GLN  28  13.602  -7.367   1.348
  211    H    GLY  29           H        GLY  29  14.634 -10.160  -3.189
  212   1HA   GLY  29          2HA       GLY  29  14.566  -8.856  -5.077
  213   2HA   GLY  29          1HA       GLY  29  12.840  -9.220  -5.060
  214    H    SER  30           H        SER  30  13.023  -6.955  -6.079
  215    HA   SER  30           HA       SER  30  12.378  -5.015  -3.980
  216   1HB   SER  30          2HB       SER  30  13.663  -3.301  -5.442
  217   2HB   SER  30          1HB       SER  30  14.560  -4.311  -4.319
  218    HG   SER  30           HG       SER  30  14.956  -5.732  -6.137
  219    H    CYS  31           H        CYS  31  11.238  -3.137  -4.830
  220    HA   CYS  31           HA       CYS  31   9.327  -3.922  -6.856
  221   1HB   CYS  31          2HB       CYS  31   9.611  -1.425  -5.183
  222   2HB   CYS  31          1HB       CYS  31   8.279  -1.741  -6.280
  223    H    GLN  32           H        GLN  32   9.762  -3.629  -8.946
  224    HA   GLN  32           HA       GLN  32  10.851  -1.070  -9.848
  225   1HB   GLN  32          2HB       GLN  32  12.172  -3.736 -10.291
  226   2HB   GLN  32          1HB       GLN  32  12.413  -2.392 -11.404
  227   1HG   GLN  32          2HG       GLN  32  13.168  -1.002  -9.466
  228   2HG   GLN  32          1HG       GLN  32  13.061  -2.440  -8.448
  229   1HE2  GLN  32          2HE2      GLN  32  16.224  -3.534  -9.322
  230   2HE2  GLN  32          1HE2      GLN  32  14.917  -3.475  -8.193
  231    H    SER  33           H        SER  33   9.695  -0.380 -11.522
  232    HA   SER  33           HA       SER  33   7.515  -1.608 -12.632
  233   1HB   SER  33          2HB       SER  33   7.539   0.056 -14.286
  234   2HB   SER  33          1HB       SER  33   8.375   0.798 -12.927
  235    HG   SER  33           HG       SER  33   9.569   1.116 -14.834
  236    H    THR  34           H        THR  34   7.199  -2.489 -14.824
  237    HA   THR  34           HA       THR  34   9.514  -3.849 -15.969
  238    HB   THR  34           HB       THR  34   8.312  -5.980 -16.039
  239    HG1  THR  34           HG1      THR  34   6.406  -4.807 -14.311
  240   1HG2  THR  34          2HG2      THR  34   8.845  -4.666 -13.403
  241   2HG2  THR  34          1HG2      THR  34   8.171  -6.297 -13.448
  242   3HG2  THR  34          3HG2      THR  34   9.729  -5.965 -14.206
  243    H    ILE  35           H        ILE  35   9.143  -4.649 -18.118
  244    HA   ILE  35           HA       ILE  35   7.738  -2.861 -19.762
  245    HB   ILE  35           HB       ILE  35   8.956  -5.565 -20.203
  246   1HG1  ILE  35          2HG1      ILE  35  10.343  -3.503 -19.807
  247   2HG1  ILE  35          1HG1      ILE  35  10.660  -4.339 -21.324
  248   1HG2  ILE  35          2HG2      ILE  35   7.198  -4.005 -22.011
  249   2HG2  ILE  35          1HG2      ILE  35   8.656  -4.707 -22.715
  250   3HG2  ILE  35          3HG2      ILE  35   7.472  -5.746 -21.918
  251   1HD1  ILE  35          1HD1      ILE  35   8.624  -2.535 -21.939
  252   2HD1  ILE  35          3HD1      ILE  35   9.704  -1.635 -20.872
  253   3HD1  ILE  35          2HD1      ILE  35  10.332  -2.367 -22.351
  254    H    SER  36           H        SER  36   6.919  -6.093 -18.571
  255    HA   SER  36           HA       SER  36   4.511  -6.397 -20.026
  256   1HB   SER  36          2HB       SER  36   4.117  -8.261 -18.665
  257   2HB   SER  36          1HB       SER  36   5.871  -8.149 -18.702
  258    HG   SER  36           HG       SER  36   4.146  -7.155 -16.657
  259    H    ALA  37           H        ALA  37   5.418  -4.589 -17.251
  260    HA   ALA  37           HA       ALA  37   2.910  -4.263 -15.993
  261   1HB   ALA  37          3HB       ALA  37   5.404  -3.582 -15.315
  262   2HB   ALA  37          2HB       ALA  37   4.872  -2.027 -15.958
  263   3HB   ALA  37          1HB       ALA  37   3.993  -2.780 -14.625
  264    H    LEU  38           H        LEU  38   4.169  -3.101 -18.935
  265    HA   LEU  38           HA       LEU  38   2.833  -0.643 -19.219
  266   1HB   LEU  38          2HB       LEU  38   3.757  -2.691 -21.229
  267   2HB   LEU  38          1HB       LEU  38   3.070  -1.137 -21.684
  268    HG   LEU  38           HG       LEU  38   5.514  -1.543 -19.962
  269   1HD1  LEU  38          3HD1      LEU  38   5.582  -2.041 -22.518
  270   2HD1  LEU  38          2HD1      LEU  38   5.532  -0.285 -22.677
  271   3HD1  LEU  38          1HD1      LEU  38   6.849  -1.053 -21.788
  272   1HD2  LEU  38          3HD2      LEU  38   3.772   0.690 -20.261
  273   2HD2  LEU  38          2HD2      LEU  38   5.277   0.587 -19.345
  274   3HD2  LEU  38          1HD2      LEU  38   5.307   1.085 -21.037
  275    H    TRP  39           H        TRP  39   1.873  -3.970 -19.858
  276    HA   TRP  39           HA       TRP  39  -0.556  -3.480 -21.181
  277   1HB   TRP  39          2HB       TRP  39  -0.286  -5.776 -19.291
  278   2HB   TRP  39          1HB       TRP  39  -1.002  -5.728 -20.897
  279    HD1  TRP  39           HD1      TRP  39   1.344  -7.836 -19.867
  280    HE1  TRP  39           HE1      TRP  39   3.470  -7.972 -21.276
  281    HE3  TRP  39           HE3      TRP  39   1.046  -3.381 -22.380
  282    HZ2  TRP  39           HZ2      TRP  39   4.858  -6.450 -23.181
  283    HZ3  TRP  39           HZ3      TRP  39   2.813  -2.785 -23.985
  284    HH2  TRP  39           HH2      TRP  39   4.704  -4.305 -24.385
  285    H    LYS  40           H        LYS  40   0.405  -3.091 -17.920
  286    HA   LYS  40           HA       LYS  40  -2.350  -2.354 -17.168
  287   1HB   LYS  40          2HB       LYS  40  -1.759  -3.192 -14.850
  288   2HB   LYS  40          1HB       LYS  40  -2.013  -4.435 -16.072
  289   1HG   LYS  40          2HG       LYS  40   0.592  -4.182 -16.406
  290   2HG   LYS  40          1HG       LYS  40   0.523  -3.547 -14.764
  291   1HD   LYS  40          2HD       LYS  40  -0.001  -5.568 -13.859
  292   2HD   LYS  40          1HD       LYS  40  -0.966  -6.058 -15.249
  293   1HE   LYS  40          2HE       LYS  40   1.796  -5.817 -16.016
  294   2HE   LYS  40          1HE       LYS  40   1.659  -6.860 -14.604
  295   1HZ   LYS  40          3HZ       LYS  40  -0.252  -7.924 -15.953
  296   2HZ   LYS  40          2HZ       LYS  40   0.514  -7.205 -17.289
  297   3HZ   LYS  40          1HZ       LYS  40   1.354  -8.322 -16.324
  298    H    LYS  41           H        LYS  41  -0.421  -0.619 -18.173
  299    HA   LYS  41           HA       LYS  41   1.337   0.671 -16.552
  300   1HB   LYS  41          2HB       LYS  41   1.050   1.450 -18.774
  301   2HB   LYS  41          1HB       LYS  41  -0.651   1.821 -18.501
  302   1HG   LYS  41          2HG       LYS  41   0.879   3.820 -18.517
  303   2HG   LYS  41          1HG       LYS  41  -0.103   3.653 -17.064
  304   1HD   LYS  41          2HD       LYS  41   2.106   4.216 -16.351
  305   2HD   LYS  41          1HD       LYS  41   1.867   2.510 -15.982
  306   1HE   LYS  41          2HE       LYS  41   2.894   2.575 -18.592
  307   2HE   LYS  41          1HE       LYS  41   3.835   3.759 -17.690
  308   1HZ   LYS  41          3HZ       LYS  41   3.357   1.200 -16.389
  309   2HZ   LYS  41          2HZ       LYS  41   4.410   1.187 -17.723
  310   3HZ   LYS  41          1HZ       LYS  41   4.741   2.181 -16.385
  311    H    CYS  42           HN       CYS  42   0.858   0.694 -14.402
  312    HA   CYS  42           HA       CYS  42  -1.394   1.219 -13.004
  313   1HB   CYS  42          2HB       CYS  42   0.996   0.836 -12.184
  314   2HB   CYS  42          1HB       CYS  42   1.192   2.573 -12.292
   
  No H/Q in entry =         314
  Start of MODEL    9
    1   1H    CYS   1          2H        CYS   1   1.873   0.567   0.941
    2   2H    CYS   1          1H        CYS   1   0.508   0.081   0.055
    3   3H    CYS   1          3H        CYS   1   1.629  -1.076   0.583
    4    HA   CYS   1           HA       CYS   1   2.393  -0.908  -1.505
    5   1HB   CYS   1          2HB       CYS   1   0.486   0.825  -1.907
    6   2HB   CYS   1          1HB       CYS   1   1.763   2.015  -1.713
    7    H    ALA   2           H        ALA   2   4.255   0.346  -2.613
    8    HA   ALA   2           HA       ALA   2   5.859   1.945  -0.776
    9   1HB   ALA   2          2HB       ALA   2   6.625  -0.817  -1.694
   10   2HB   ALA   2          1HB       ALA   2   7.837   0.376  -1.224
   11   3HB   ALA   2          3HB       ALA   2   6.629  -0.161  -0.055
   12    H    LYS   3           H        LYS   3   8.176   2.139  -1.987
   13    HA   LYS   3           HA       LYS   3   7.510   3.091  -4.699
   14   1HB   LYS   3          2HB       LYS   3   9.504   3.968  -2.631
   15   2HB   LYS   3          1HB       LYS   3   9.731   4.379  -4.329
   16   1HG   LYS   3          2HG       LYS   3   8.545   6.218  -3.613
   17   2HG   LYS   3          1HG       LYS   3   7.224   5.175  -4.138
   18   1HD   LYS   3          2HD       LYS   3   6.586   4.667  -1.967
   19   2HD   LYS   3          1HD       LYS   3   8.182   5.016  -1.307
   20   1HE   LYS   3          2HE       LYS   3   6.804   6.800  -0.589
   21   2HE   LYS   3          1HE       LYS   3   7.747   7.450  -1.927
   22   1HZ   LYS   3          2HZ       LYS   3   5.766   6.781  -3.351
   23   2HZ   LYS   3          1HZ       LYS   3   4.906   6.644  -1.892
   24   3HZ   LYS   3          3HZ       LYS   3   5.581   8.134  -2.341
   25    H    LYS   4           H        LYS   4   9.933   3.305  -5.843
   26    HA   LYS   4           HA       LYS   4  10.560   0.587  -6.517
   27   1HB   LYS   4          2HB       LYS   4  11.563   3.274  -7.396
   28   2HB   LYS   4          1HB       LYS   4  12.395   1.801  -7.888
   29   1HG   LYS   4          2HG       LYS   4  10.088   0.976  -8.663
   30   2HG   LYS   4          1HG       LYS   4   9.574   2.653  -8.503
   31   1HD   LYS   4          2HD       LYS   4  12.075   2.145 -10.025
   32   2HD   LYS   4          1HD       LYS   4  10.563   1.659 -10.785
   33   1HE   LYS   4          2HE       LYS   4  11.095   4.416  -9.667
   34   2HE   LYS   4          1HE       LYS   4  11.286   3.981 -11.363
   35   1HZ   LYS   4          2HZ       LYS   4   8.750   3.641  -9.864
   36   2HZ   LYS   4          1HZ       LYS   4   9.122   5.029 -10.770
   37   3HZ   LYS   4          3HZ       LYS   4   8.986   3.525 -11.542
   38    H    ARG   5           H        ARG   5  12.648  -0.390  -6.383
   39    HA   ARG   5           HA       ARG   5  14.657  -0.935  -5.404
   40   1HB   ARG   5          2HB       ARG   5  14.573   1.770  -4.072
   41   2HB   ARG   5          1HB       ARG   5  15.981   0.744  -4.332
   42   1HG   ARG   5          2HG       ARG   5  16.332   1.830  -6.254
   43   2HG   ARG   5          1HG       ARG   5  14.846   1.113  -6.871
   44   1HD   ARG   5          2HD       ARG   5  13.611   3.019  -6.501
   45   2HD   ARG   5          1HD       ARG   5  14.621   3.539  -5.152
   46    HE   ARG   5           HE       ARG   5  16.293   3.747  -7.285
   47   1HH1  ARG   5          1HH2      ARG   5  13.055   4.847  -6.626
   48   2HH1  ARG   5          2HH2      ARG   5  13.190   6.260  -7.617
   49   1HH2  ARG   5          2HH1      ARG   5  16.485   5.612  -8.594
   50   2HH2  ARG   5          1HH1      ARG   5  15.141   6.695  -8.737
   51    H    ASN   6           H        ASN   6  11.789  -0.588  -3.961
   52    HA   ASN   6           HA       ASN   6  12.644  -1.033  -1.206
   53   1HB   ASN   6          2HB       ASN   6   9.958  -0.713  -2.531
   54   2HB   ASN   6          1HB       ASN   6  10.142  -1.157  -0.837
   55   1HD2  ASN   6          2HD2      ASN   6  11.247   2.590  -2.095
   56   2HD2  ASN   6          1HD2      ASN   6  11.202   1.262  -3.199
   57    H    TRP   7           H        TRP   7  13.142  -3.021  -0.566
   58    HA   TRP   7           HA       TRP   7  12.992  -5.366  -1.933
   59   1HB   TRP   7          2HB       TRP   7  12.842  -4.792   1.001
   60   2HB   TRP   7          1HB       TRP   7  12.791  -6.440   0.397
   61    HD1  TRP   7           HD1      TRP   7  15.008  -6.140  -1.939
   62    HE1  TRP   7           HE1      TRP   7  17.455  -5.861  -1.258
   63    HE3  TRP   7           HE3      TRP   7  14.407  -4.492   2.855
   64    HZ2  TRP   7           HZ2      TRP   7  18.960  -5.061   0.977
   65    HZ3  TRP   7           HZ3      TRP   7  16.393  -3.984   4.223
   66    HH2  TRP   7           HH2      TRP   7  18.653  -4.266   3.293
   67    H    CYS   8           H        CYS   8  11.552  -7.105  -2.068
   68    HA   CYS   8           HA       CYS   8   8.791  -6.412  -2.210
   69   1HB   CYS   8          2HB       CYS   8  10.278  -9.016  -2.458
   70   2HB   CYS   8          1HB       CYS   8   8.529  -8.917  -2.584
   71    H    GLY   9           H        GLY   9  10.801  -8.061   0.138
   72   1HA   GLY   9          2HA       GLY   9   9.178  -9.451   1.764
   73   2HA   GLY   9          1HA       GLY   9  10.393  -8.348   2.414
   74    H    LYS  10           H        LYS  10   9.617  -5.942   2.251
   75    HA   LYS  10           HA       LYS  10   7.620  -5.486   4.083
   76   1HB   LYS  10          2HB       LYS  10   9.256  -3.798   3.293
   77   2HB   LYS  10          1HB       LYS  10   8.349  -3.657   1.789
   78   1HG   LYS  10          2HG       LYS  10   7.077  -2.106   2.778
   79   2HG   LYS  10          1HG       LYS  10   6.457  -3.365   3.842
   80   1HD   LYS  10          2HD       LYS  10   9.036  -1.925   4.427
   81   2HD   LYS  10          1HD       LYS  10   7.480  -1.282   4.943
   82   1HE   LYS  10          2HE       LYS  10   8.435  -4.067   5.617
   83   2HE   LYS  10          1HE       LYS  10   8.693  -2.675   6.664
   84   1HZ   LYS  10          3HZ       LYS  10   6.011  -3.499   5.716
   85   2HZ   LYS  10          2HZ       LYS  10   6.692  -4.068   7.165
   86   3HZ   LYS  10          1HZ       LYS  10   6.387  -2.409   6.961
   87    H    THR  11           H        THR  11   5.639  -6.324   3.946
   88    HA   THR  11           HA       THR  11   3.587  -6.939   3.127
   89    HB   THR  11           HB       THR  11   3.750  -4.263   3.155
   90    HG1  THR  11           HG1      THR  11   1.583  -4.355   3.045
   91   1HG2  THR  11          3HG2      THR  11   4.338  -4.647   0.531
   92   2HG2  THR  11          2HG2      THR  11   2.586  -4.494   0.459
   93   3HG2  THR  11          1HG2      THR  11   3.556  -3.201   1.169
   94    H    GLU  12           H        GLU  12   2.261  -6.669   0.798
   95    HA   GLU  12           HA       GLU  12   4.035  -8.002  -1.158
   96   1HB   GLU  12          2HB       GLU  12   2.090  -9.207  -1.942
   97   2HB   GLU  12          1HB       GLU  12   2.253  -9.430  -0.202
   98   1HG   GLU  12          2HG       GLU  12   0.643  -7.100  -0.787
   99   2HG   GLU  12          1HG       GLU  12  -0.012  -8.530  -1.586
  100    H    ASP  13           H        ASP  13   3.316  -7.746  -3.453
  101    HA   ASP  13           HA       ASP  13   3.088  -6.337  -5.254
  102   1HB   ASP  13          2HB       ASP  13   0.949  -5.410  -5.515
  103   2HB   ASP  13          1HB       ASP  13   0.689  -6.761  -4.413
  104    H    CYS  14           H        CYS  14   2.779  -3.929  -5.883
  105    HA   CYS  14           HA       CYS  14   3.781  -2.089  -3.846
  106   1HB   CYS  14          2HB       CYS  14   5.462  -3.284  -5.813
  107   2HB   CYS  14          1HB       CYS  14   5.296  -1.571  -6.178
  108    H    CYS  15           H        CYS  15   4.431  -0.015  -5.603
  109    HA   CYS  15           HA       CYS  15   1.737   0.784  -6.387
  110   1HB   CYS  15          2HB       CYS  15   4.328   2.275  -6.033
  111   2HB   CYS  15          1HB       CYS  15   2.885   3.029  -6.694
  112    H    CYS  16           H        CYS  16   1.284  -0.155  -8.312
  113    HA   CYS  16           HA       CYS  16   2.725  -0.859 -10.446
  114   1HB   CYS  16          2HB       CYS  16   0.787   0.092 -11.877
  115   2HB   CYS  16          1HB       CYS  16   0.453  -1.174 -10.707
  116    HA   PRO  17           HA       PRO  17   2.791  -0.895 -12.554
  117   1HB   PRO  17          2HB       PRO  17   4.873  -0.879 -14.281
  118   2HB   PRO  17          1HB       PRO  17   3.317  -0.108 -14.625
  119   1HG   PRO  17          2HG       PRO  17   5.904   1.117 -13.917
  120   2HG   PRO  17          1HG       PRO  17   4.554   1.784 -14.848
  121   1HD   PRO  17          2HD       PRO  17   5.180   2.344 -12.159
  122   2HD   PRO  17          1HD       PRO  17   3.695   2.791 -13.016
  123    H    MET  18           H        MET  18   4.846   0.156 -10.338
  124    HA   MET  18           HA       MET  18   7.134  -1.409 -10.376
  125   1HB   MET  18          2HB       MET  18   5.439  -0.283  -8.181
  126   2HB   MET  18          1HB       MET  18   6.843  -1.273  -7.803
  127   1HG   MET  18          2HG       MET  18   8.134   0.297  -9.373
  128   2HG   MET  18          1HG       MET  18   6.737   1.359  -9.262
  129   1HE   MET  18          3HE       MET  18   5.607   0.970  -6.807
  130   2HE   MET  18          2HE       MET  18   6.558   0.651  -5.358
  131   3HE   MET  18          1HE       MET  18   6.274   2.314  -5.872
  132    H    LYS  19           H        LYS  19   7.388  -3.525 -10.450
  133    HA   LYS  19           HA       LYS  19   5.374  -5.259  -9.151
  134   1HB   LYS  19          2HB       LYS  19   5.129  -5.441 -11.554
  135   2HB   LYS  19          1HB       LYS  19   6.859  -5.716 -11.742
  136   1HG   LYS  19          2HG       LYS  19   6.455  -7.733 -10.143
  137   2HG   LYS  19          1HG       LYS  19   4.766  -7.543 -10.607
  138   1HD   LYS  19          2HD       LYS  19   5.253  -8.831 -12.379
  139   2HD   LYS  19          1HD       LYS  19   6.108  -7.432 -13.024
  140   1HE   LYS  19          2HE       LYS  19   8.041  -8.393 -11.448
  141   2HE   LYS  19          1HE       LYS  19   7.178  -9.899 -11.754
  142   1HZ   LYS  19          3HZ       LYS  19   7.471  -8.460 -14.160
  143   2HZ   LYS  19          2HZ       LYS  19   8.987  -8.609 -13.412
  144   3HZ   LYS  19          1HZ       LYS  19   8.069  -9.995 -13.759
  145    H    CYS  20           H        CYS  20   6.144  -7.021  -8.024
  146    HA   CYS  20           HA       CYS  20   8.674  -6.823  -6.825
  147   1HB   CYS  20          2HB       CYS  20   6.754  -8.008  -5.830
  148   2HB   CYS  20          1HB       CYS  20   6.898  -9.256  -7.059
  149    H    VAL  21           H        VAL  21  10.575  -7.133  -7.743
  150    HA   VAL  21           HA       VAL  21  10.830  -9.143  -9.890
  151    HB   VAL  21           HB       VAL  21  12.542  -6.719  -9.352
  152   1HG1  VAL  21          2HG1      VAL  21  12.661  -8.943 -11.335
  153   2HG1  VAL  21          1HG1      VAL  21  13.172  -7.329 -11.833
  154   3HG1  VAL  21          3HG1      VAL  21  13.968  -8.127 -10.475
  155   1HG2  VAL  21          1HG2      VAL  21  10.070  -7.113 -10.896
  156   2HG2  VAL  21          3HG2      VAL  21  10.793  -5.629 -10.274
  157   3HG2  VAL  21          2HG2      VAL  21  11.373  -6.325 -11.788
  158    H    TYR  22           H        TYR  22  12.908 -10.246 -10.008
  159    HA   TYR  22           HA       TYR  22  13.985 -10.822  -7.319
  160   1HB   TYR  22          2HB       TYR  22  12.829 -12.616  -8.774
  161   2HB   TYR  22          1HB       TYR  22  14.296 -12.572  -9.741
  162    HD1  TYR  22           HD2      TYR  22  16.528 -12.674  -8.237
  163    HD2  TYR  22           HD1      TYR  22  12.703 -14.210  -7.133
  164    HE1  TYR  22           HE2      TYR  22  17.605 -14.222  -6.650
  165    HE2  TYR  22           HE1      TYR  22  13.783 -15.757  -5.547
  166    HH   TYR  22           HH       TYR  22  17.251 -15.642  -4.934
  167    H    ALA  23           H        ALA  23  16.158 -10.703  -6.951
  168    HA   ALA  23           HA       ALA  23  17.775  -9.480  -9.081
  169   1HB   ALA  23          3HB       ALA  23  18.147  -9.595  -6.083
  170   2HB   ALA  23          2HB       ALA  23  19.320  -8.891  -7.199
  171   3HB   ALA  23          1HB       ALA  23  17.708  -8.185  -7.050
  172    H    TRP  24           H        TRP  24  19.444 -10.967  -6.463
  173    HA   TRP  24           HA       TRP  24  19.852 -13.514  -7.745
  174   1HB   TRP  24          2HB       TRP  24  22.456 -12.899  -7.637
  175   2HB   TRP  24          1HB       TRP  24  21.487 -12.717  -9.092
  176    HD1  TRP  24           HD1      TRP  24  20.370 -10.059  -9.338
  177    HE1  TRP  24           HE1      TRP  24  21.597  -7.866  -8.894
  178    HE3  TRP  24           HE3      TRP  24  24.220 -11.762  -6.421
  179    HZ2  TRP  24           HZ2      TRP  24  23.863  -6.940  -7.525
  180    HZ3  TRP  24           HZ3      TRP  24  25.889 -10.161  -5.578
  181    HH2  TRP  24           HH2      TRP  24  25.715  -7.769  -6.123
  182    H    TYR  25           H        TYR  25  21.968 -11.529  -5.710
  183    HA   TYR  25           HA       TYR  25  22.148 -13.622  -3.747
  184   1HB   TYR  25          2HB       TYR  25  23.915 -12.452  -2.881
  185   2HB   TYR  25          1HB       TYR  25  23.940 -11.874  -4.538
  186    HD1  TYR  25           HD1      TYR  25  22.516  -9.707  -4.980
  187    HD2  TYR  25           HD2      TYR  25  23.954 -10.927  -1.151
  188    HE1  TYR  25           HE1      TYR  25  22.316  -7.389  -4.163
  189    HE2  TYR  25           HE2      TYR  25  23.752  -8.608  -0.338
  190    HH   TYR  25           HH       TYR  25  22.705  -6.575  -0.811
  191    H    ASN  26           H        ASN  26  19.757 -11.555  -4.380
  192    HA   ASN  26           HA       ASN  26  18.921 -11.400  -1.563
  193   1HB   ASN  26          2HB       ASN  26  19.252  -9.187  -3.506
  194   2HB   ASN  26          1HB       ASN  26  17.778  -9.164  -2.536
  195   1HD2  ASN  26          2HD2      ASN  26  20.940  -7.634  -0.909
  196   2HD2  ASN  26          1HD2      ASN  26  20.480  -7.665  -2.574
  197    H    GLU  27           H        GLU  27  17.677 -13.292  -2.128
  198    HA   GLU  27           HA       GLU  27  15.808 -13.424  -4.217
  199   1HB   GLU  27          2HB       GLU  27  16.418 -15.415  -3.017
  200   2HB   GLU  27          1HB       GLU  27  15.819 -14.743  -1.501
  201   1HG   GLU  27          2HG       GLU  27  13.591 -14.997  -2.117
  202   2HG   GLU  27          1HG       GLU  27  13.963 -15.005  -3.840
  203    H    GLN  28           H        GLN  28  15.829 -11.535  -1.390
  204    HA   GLN  28           HA       GLN  28  13.078 -11.304  -0.834
  205   1HB   GLN  28          2HB       GLN  28  13.670  -9.327   0.391
  206   2HB   GLN  28          1HB       GLN  28  14.932 -10.528   0.639
  207   1HG   GLN  28          2HG       GLN  28  16.262  -9.409  -1.161
  208   2HG   GLN  28          1HG       GLN  28  15.030  -8.147  -1.225
  209   1HE2  GLN  28          2HE2      GLN  28  15.777  -7.270   2.306
  210   2HE2  GLN  28          1HE2      GLN  28  14.411  -7.886   1.445
  211    H    GLY  29           H        GLY  29  14.862 -10.347  -3.530
  212   1HA   GLY  29          2HA       GLY  29  14.492  -8.910  -5.292
  213   2HA   GLY  29          1HA       GLY  29  12.823  -9.441  -5.092
  214    H    SER  30           H        SER  30  12.731  -7.117  -6.032
  215    HA   SER  30           HA       SER  30  11.871  -5.390  -3.881
  216   1HB   SER  30          2HB       SER  30  13.281  -3.471  -4.913
  217   2HB   SER  30          1HB       SER  30  14.043  -4.578  -3.779
  218    HG   SER  30           HG       SER  30  14.151  -4.706  -6.628
  219    H    CYS  31           H        CYS  31  10.844  -3.410  -4.733
  220    HA   CYS  31           HA       CYS  31   9.179  -4.048  -6.978
  221   1HB   CYS  31          2HB       CYS  31   9.404  -1.504  -5.373
  222   2HB   CYS  31          1HB       CYS  31   8.109  -1.915  -6.484
  223    H    GLN  32           H        GLN  32   9.489  -3.534  -9.029
  224    HA   GLN  32           HA       GLN  32  10.958  -1.134  -9.772
  225   1HB   GLN  32          2HB       GLN  32  11.921  -3.919 -10.345
  226   2HB   GLN  32          1HB       GLN  32  12.303  -2.589 -11.436
  227   1HG   GLN  32          2HG       GLN  32  13.312  -1.349  -9.560
  228   2HG   GLN  32          1HG       GLN  32  12.941  -2.693  -8.479
  229   1HE2  GLN  32          2HE2      GLN  32  16.118  -3.943  -9.140
  230   2HE2  GLN  32          1HE2      GLN  32  14.982  -3.339  -7.988
  231    H    SER  33           H        SER  33   9.932  -0.192 -11.405
  232    HA   SER  33           HA       SER  33   7.637  -1.302 -12.614
  233   1HB   SER  33          2HB       SER  33   8.029   0.673 -14.250
  234   2HB   SER  33          1HB       SER  33   7.664   1.023 -12.565
  235    HG   SER  33           HG       SER  33   9.479   2.227 -13.333
  236    H    THR  34           H        THR  34   7.930  -3.165 -13.740
  237    HA   THR  34           HA       THR  34  10.119  -3.437 -15.626
  238    HB   THR  34           HB       THR  34   9.583  -5.706 -15.716
  239    HG1  THR  34           HG1      THR  34   7.011  -4.934 -14.806
  240   1HG2  THR  34          1HG2      THR  34   9.906  -4.494 -13.260
  241   2HG2  THR  34          3HG2      THR  34   8.494  -5.523 -13.013
  242   3HG2  THR  34          2HG2      THR  34  10.010  -6.228 -13.574
  243    H    ILE  35           H        ILE  35   9.731  -4.115 -17.842
  244    HA   ILE  35           HA       ILE  35   7.933  -2.438 -19.219
  245    HB   ILE  35           HB       ILE  35   9.066  -4.963 -20.372
  246   1HG1  ILE  35          2HG1      ILE  35  10.874  -2.851 -20.831
  247   2HG1  ILE  35          1HG1      ILE  35  10.539  -2.850 -19.101
  248   1HG2  ILE  35          3HG2      ILE  35   8.464  -2.218 -21.467
  249   2HG2  ILE  35          2HG2      ILE  35   9.311  -3.476 -22.369
  250   3HG2  ILE  35          1HG2      ILE  35   7.642  -3.731 -21.853
  251   1HD1  ILE  35          2HD1      ILE  35  11.029  -5.495 -20.353
  252   2HD1  ILE  35          1HD1      ILE  35  12.417  -4.414 -20.221
  253   3HD1  ILE  35          3HD1      ILE  35  11.524  -4.884 -18.773
  254    H    SER  36           H        SER  36   7.717  -5.741 -18.084
  255    HA   SER  36           HA       SER  36   5.416  -6.531 -19.525
  256   1HB   SER  36          2HB       SER  36   5.360  -8.388 -18.100
  257   2HB   SER  36          1HB       SER  36   7.064  -7.956 -18.143
  258    HG   SER  36           HG       SER  36   5.169  -7.625 -16.084
  259    H    ALA  37           H        ALA  37   5.940  -4.608 -16.684
  260    HA   ALA  37           HA       ALA  37   3.338  -4.691 -15.581
  261   1HB   ALA  37          2HB       ALA  37   5.350  -3.859 -14.383
  262   2HB   ALA  37          1HB       ALA  37   5.359  -2.446 -15.440
  263   3HB   ALA  37          3HB       ALA  37   4.006  -2.716 -14.338
  264    H    LEU  38           H        LEU  38   4.566  -3.297 -18.420
  265    HA   LEU  38           HA       LEU  38   2.957  -1.007 -18.705
  266   1HB   LEU  38          2HB       LEU  38   4.171  -2.871 -20.745
  267   2HB   LEU  38          1HB       LEU  38   3.380  -1.352 -21.150
  268    HG   LEU  38           HG       LEU  38   5.762  -1.652 -19.324
  269   1HD1  LEU  38          3HD1      LEU  38   6.312  -2.116 -21.672
  270   2HD1  LEU  38          2HD1      LEU  38   5.617  -0.563 -22.137
  271   3HD1  LEU  38          1HD1      LEU  38   7.053  -0.616 -21.112
  272   1HD2  LEU  38          2HD2      LEU  38   3.870   0.414 -19.518
  273   2HD2  LEU  38          1HD2      LEU  38   5.428   0.464 -18.690
  274   3HD2  LEU  38          3HD2      LEU  38   5.302   0.996 -20.369
  275    H    TRP  39           H        TRP  39   2.399  -4.412 -19.334
  276    HA   TRP  39           HA       TRP  39   0.010  -4.202 -20.811
  277   1HB   TRP  39          2HB       TRP  39   0.412  -6.448 -18.890
  278   2HB   TRP  39          1HB       TRP  39  -0.184  -6.483 -20.544
  279    HD1  TRP  39           HD1      TRP  39   2.259  -8.359 -19.385
  280    HE1  TRP  39           HE1      TRP  39   4.499  -8.255 -20.607
  281    HE3  TRP  39           HE3      TRP  39   1.749  -3.877 -21.814
  282    HZ2  TRP  39           HZ2      TRP  39   5.892  -6.554 -22.350
  283    HZ3  TRP  39           HZ3      TRP  39   3.581  -3.072 -23.248
  284    HH2  TRP  39           HH2      TRP  39   5.635  -4.396 -23.516
  285    H    LYS  40           H        LYS  40   0.757  -3.681 -17.517
  286    HA   LYS  40           HA       LYS  40  -2.111  -3.397 -16.862
  287   1HB   LYS  40          2HB       LYS  40  -1.349  -3.855 -14.475
  288   2HB   LYS  40          1HB       LYS  40  -1.359  -5.234 -15.570
  289   1HG   LYS  40          2HG       LYS  40   1.086  -4.807 -15.986
  290   2HG   LYS  40          1HG       LYS  40   1.032  -3.600 -14.705
  291   1HD   LYS  40          2HD       LYS  40  -0.076  -6.250 -14.008
  292   2HD   LYS  40          1HD       LYS  40   1.661  -6.205 -14.302
  293   1HE   LYS  40          2HE       LYS  40   1.531  -5.749 -12.025
  294   2HE   LYS  40          1HE       LYS  40   1.624  -4.135 -12.726
  295   1HZ   LYS  40          3HZ       LYS  40  -1.036  -4.684 -12.702
  296   2HZ   LYS  40          2HZ       LYS  40  -0.492  -5.365 -11.244
  297   3HZ   LYS  40          1HZ       LYS  40  -0.212  -3.722 -11.574
  298    H    LYS  41           H        LYS  41  -0.491  -1.412 -18.030
  299    HA   LYS  41           HA       LYS  41   0.918   0.397 -16.678
  300   1HB   LYS  41          2HB       LYS  41   0.131   0.812 -18.934
  301   2HB   LYS  41          1HB       LYS  41  -1.517   1.029 -18.349
  302   1HG   LYS  41          2HG       LYS  41  -1.056   3.212 -18.161
  303   2HG   LYS  41          1HG       LYS  41   0.004   2.795 -16.818
  304   1HD   LYS  41          2HD       LYS  41   1.090   2.519 -19.577
  305   2HD   LYS  41          1HD       LYS  41   0.881   4.148 -18.938
  306   1HE   LYS  41          2HE       LYS  41   2.065   2.698 -16.858
  307   2HE   LYS  41          1HE       LYS  41   2.904   2.171 -18.314
  308   1HZ   LYS  41          3HZ       LYS  41   2.447   5.037 -17.924
  309   2HZ   LYS  41          2HZ       LYS  41   3.661   4.283 -17.006
  310   3HZ   LYS  41          1HZ       LYS  41   3.727   4.243 -18.702
  311    H    CYS  42           HN       CYS  42   0.814   1.035 -14.648
  312    HA   CYS  42           HA       CYS  42  -1.149   0.886 -12.801
  313   1HB   CYS  42          2HB       CYS  42   1.212   1.771 -12.523
  314   2HB   CYS  42          1HB       CYS  42   0.594   3.331 -13.040
   
  No H/Q in entry =         314
  Start of MODEL   10
    1   1H    CYS   1          3H        CYS   1   2.655  -0.340   1.162
    2   2H    CYS   1          2H        CYS   1   1.422   0.686   0.604
    3   3H    CYS   1          1H        CYS   1   1.325  -0.989   0.336
    4    HA   CYS   1           HA       CYS   1   2.899  -0.986  -1.308
    5   1HB   CYS   1          2HB       CYS   1   0.811   0.510  -1.767
    6   2HB   CYS   1          1HB       CYS   1   1.959   1.833  -1.669
    7    H    ALA   2           H        ALA   2   4.589   0.367  -2.529
    8    HA   ALA   2           HA       ALA   2   6.017   2.325  -0.942
    9   1HB   ALA   2          3HB       ALA   2   6.695  -0.432  -0.730
   10   2HB   ALA   2          2HB       ALA   2   7.984   0.381  -1.620
   11   3HB   ALA   2          1HB       ALA   2   7.518   0.957  -0.016
   12    H    LYS   3           H        LYS   3   8.431   2.275  -2.217
   13    HA   LYS   3           HA       LYS   3   7.676   2.825  -5.020
   14   1HB   LYS   3          2HB       LYS   3   9.659   4.098  -3.155
   15   2HB   LYS   3          1HB       LYS   3   9.836   4.249  -4.902
   16   1HG   LYS   3          2HG       LYS   3   7.171   4.850  -3.707
   17   2HG   LYS   3          1HG       LYS   3   8.464   6.025  -3.478
   18   1HD   LYS   3          2HD       LYS   3   7.738   6.819  -5.473
   19   2HD   LYS   3          1HD       LYS   3   8.735   5.521  -6.123
   20   1HE   LYS   3          2HE       LYS   3   6.918   4.632  -7.067
   21   2HE   LYS   3          1HE       LYS   3   6.231   4.380  -5.465
   22   1HZ   LYS   3          1HZ       LYS   3   6.010   6.916  -6.986
   23   2HZ   LYS   3          3HZ       LYS   3   4.821   5.708  -6.981
   24   3HZ   LYS   3          2HZ       LYS   3   5.215   6.514  -5.539
   25    H    LYS   4           H        LYS   4  10.057   2.932  -6.241
   26    HA   LYS   4           HA       LYS   4  10.766   0.197  -6.556
   27   1HB   LYS   4          2HB       LYS   4  11.858   2.789  -7.608
   28   2HB   LYS   4          1HB       LYS   4  12.694   1.269  -7.916
   29   1HG   LYS   4          2HG       LYS   4  10.309   0.462  -8.674
   30   2HG   LYS   4          1HG       LYS   4  10.009   2.187  -8.868
   31   1HD   LYS   4          2HD       LYS   4  12.459   0.919 -10.056
   32   2HD   LYS   4          1HD       LYS   4  10.911   0.832 -10.893
   33   1HE   LYS   4          2HE       LYS   4  12.210   3.402  -9.973
   34   2HE   LYS   4          1HE       LYS   4  12.335   2.756 -11.607
   35   1HZ   LYS   4          1HZ       LYS   4   9.884   2.838 -11.720
   36   2HZ   LYS   4          3HZ       LYS   4   9.862   3.611 -10.211
   37   3HZ   LYS   4          2HZ       LYS   4  10.600   4.368 -11.541
   38    H    ARG   5           H        ARG   5  12.819  -0.783  -6.166
   39    HA   ARG   5           HA       ARG   5  14.806  -1.165  -5.046
   40   1HB   ARG   5          2HB       ARG   5  14.554   1.513  -3.708
   41   2HB   ARG   5          1HB       ARG   5  16.012   0.585  -4.050
   42   1HG   ARG   5          2HG       ARG   5  16.252   1.669  -5.987
   43   2HG   ARG   5          1HG       ARG   5  14.682   1.073  -6.521
   44   1HD   ARG   5          2HD       ARG   5  13.704   3.074  -6.193
   45   2HD   ARG   5          1HD       ARG   5  14.462   3.273  -4.613
   46    HE   ARG   5           HE       ARG   5  16.133   4.524  -5.628
   47   1HH1  ARG   5          1HH2      ARG   5  14.414   2.649  -8.003
   48   2HH1  ARG   5          2HH2      ARG   5  15.098   3.489  -9.356
   49   1HH2  ARG   5          2HH1      ARG   5  16.989   5.688  -7.403
   50   2HH2  ARG   5          1HH1      ARG   5  16.563   5.217  -9.014
   51    H    ASN   6           H        ASN   6  11.799  -0.800  -3.835
   52    HA   ASN   6           HA       ASN   6  12.449  -1.168  -1.017
   53   1HB   ASN   6          2HB       ASN   6   9.881  -0.908  -2.564
   54   2HB   ASN   6          1HB       ASN   6   9.911  -1.375  -0.866
   55   1HD2  ASN   6          2HD2      ASN   6  11.166   2.389  -1.930
   56   2HD2  ASN   6          1HD2      ASN   6  11.310   1.067  -3.033
   57    H    TRP   7           H        TRP   7  12.952  -3.120  -0.293
   58    HA   TRP   7           HA       TRP   7  12.999  -5.499  -1.577
   59   1HB   TRP   7          2HB       TRP   7  12.556  -4.833   1.302
   60   2HB   TRP   7          1HB       TRP   7  12.576  -6.506   0.766
   61    HD1  TRP   7           HD1      TRP   7  14.986  -6.061  -1.450
   62    HE1  TRP   7           HE1      TRP   7  17.362  -5.801  -0.544
   63    HE3  TRP   7           HE3      TRP   7  13.949  -4.728   3.360
   64    HZ2  TRP   7           HZ2      TRP   7  18.657  -5.127   1.861
   65    HZ3  TRP   7           HZ3      TRP   7  15.800  -4.284   4.928
   66    HH2  TRP   7           HH2      TRP   7  18.136  -4.482   4.186
   67    H    CYS   8           H        CYS   8  11.634  -7.142  -2.073
   68    HA   CYS   8           HA       CYS   8   8.961  -6.693  -2.607
   69   1HB   CYS   8          2HB       CYS   8  10.414  -8.579  -3.445
   70   2HB   CYS   8          1HB       CYS   8  10.124  -9.387  -1.911
   71    H    GLY   9           H        GLY   9  10.002  -8.982  -0.093
   72   1HA   GLY   9          2HA       GLY   9   9.141  -9.503   1.971
   73   2HA   GLY   9          1HA       GLY   9   8.597  -7.827   2.057
   74    H    LYS  10           H        LYS  10   7.071  -9.854   3.149
   75    HA   LYS  10           HA       LYS  10   5.148 -11.100   1.620
   76   1HB   LYS  10          2HB       LYS  10   5.287 -10.088   4.392
   77   2HB   LYS  10          1HB       LYS  10   3.665 -10.362   3.758
   78   1HG   LYS  10          2HG       LYS  10   5.306 -12.571   3.005
   79   2HG   LYS  10          1HG       LYS  10   5.527 -12.283   4.729
   80   1HD   LYS  10          2HD       LYS  10   3.690 -13.676   4.767
   81   2HD   LYS  10          1HD       LYS  10   2.899 -12.103   4.713
   82   1HE   LYS  10          2HE       LYS  10   2.938 -12.397   2.151
   83   2HE   LYS  10          1HE       LYS  10   3.280 -14.092   2.488
   84   1HZ   LYS  10          1HZ       LYS  10   1.203 -13.619   4.111
   85   2HZ   LYS  10          3HZ       LYS  10   0.827 -12.601   2.808
   86   3HZ   LYS  10          2HZ       LYS  10   1.067 -14.262   2.544
   87    H    THR  11           H        THR  11   2.960 -10.544   1.089
   88    HA   THR  11           HA       THR  11   1.208  -9.117   0.524
   89    HB   THR  11           HB       THR  11   2.951  -6.727   0.981
   90    HG1  THR  11           HG1      THR  11   3.203  -7.440   2.951
   91   1HG2  THR  11          2HG2      THR  11   0.646  -6.546   0.007
   92   2HG2  THR  11          1HG2      THR  11   0.019  -7.155   1.543
   93   3HG2  THR  11          3HG2      THR  11   0.897  -5.625   1.489
   94    H    GLU  12           H        GLU  12   4.495  -8.220  -0.440
   95    HA   GLU  12           HA       GLU  12   5.287  -7.346  -2.444
   96   1HB   GLU  12          2HB       GLU  12   5.091  -8.980  -4.211
   97   2HB   GLU  12          1HB       GLU  12   5.257  -9.822  -2.672
   98   1HG   GLU  12          2HG       GLU  12   3.056 -10.543  -2.674
   99   2HG   GLU  12          1HG       GLU  12   2.516  -9.218  -3.704
  100    H    ASP  13           H        ASP  13   3.146  -5.811  -1.734
  101    HA   ASP  13           HA       ASP  13   1.563  -5.531  -4.211
  102   1HB   ASP  13          2HB       ASP  13  -0.084  -4.355  -2.890
  103   2HB   ASP  13          1HB       ASP  13   0.282  -5.893  -2.108
  104    H    CYS  14           H        CYS  14   3.879  -4.579  -4.757
  105    HA   CYS  14           HA       CYS  14   4.565  -1.998  -3.821
  106   1HB   CYS  14          2HB       CYS  14   5.144  -3.046  -6.587
  107   2HB   CYS  14          1HB       CYS  14   6.082  -1.895  -5.646
  108    H    CYS  15           H        CYS  15   4.709  -0.161  -5.571
  109    HA   CYS  15           HA       CYS  15   1.936   0.409  -6.298
  110   1HB   CYS  15          2HB       CYS  15   4.409   2.094  -6.002
  111   2HB   CYS  15          1HB       CYS  15   2.933   2.727  -6.713
  112    H    CYS  16           H        CYS  16   1.427  -0.444  -8.219
  113    HA   CYS  16           HA       CYS  16   2.903  -1.176 -10.347
  114   1HB   CYS  16          2HB       CYS  16   0.917  -0.375 -11.786
  115   2HB   CYS  16          1HB       CYS  16   0.638  -1.600 -10.561
  116    HA   PRO  17           HA       PRO  17   2.807  -1.208 -12.527
  117   1HB   PRO  17          2HB       PRO  17   4.867  -1.190 -14.281
  118   2HB   PRO  17          1HB       PRO  17   3.305  -0.420 -14.606
  119   1HG   PRO  17          2HG       PRO  17   5.895   0.809 -13.876
  120   2HG   PRO  17          1HG       PRO  17   4.576   1.453 -14.865
  121   1HD   PRO  17          2HD       PRO  17   5.103   2.130 -12.209
  122   2HD   PRO  17          1HD       PRO  17   3.589   2.440 -13.081
  123    H    MET  18           H        MET  18   4.974  -0.101 -10.384
  124    HA   MET  18           HA       MET  18   7.204  -1.762 -10.473
  125   1HB   MET  18          2HB       MET  18   5.688  -0.576  -8.158
  126   2HB   MET  18          1HB       MET  18   7.206  -1.444  -7.966
  127   1HG   MET  18          2HG       MET  18   8.191   0.171  -9.655
  128   2HG   MET  18          1HG       MET  18   6.713   1.108  -9.492
  129   1HE   MET  18          1HE       MET  18   5.756   0.923  -7.015
  130   2HE   MET  18          3HE       MET  18   6.763   0.885  -5.561
  131   3HE   MET  18          2HE       MET  18   6.380   2.423  -6.333
  132    H    LYS  19           H        LYS  19   7.429  -3.887 -10.316
  133    HA   LYS  19           HA       LYS  19   5.370  -5.441  -8.875
  134   1HB   LYS  19          2HB       LYS  19   5.621  -7.220 -10.530
  135   2HB   LYS  19          1HB       LYS  19   5.097  -5.721 -11.297
  136   1HG   LYS  19          2HG       LYS  19   6.969  -5.577 -12.537
  137   2HG   LYS  19          1HG       LYS  19   8.006  -5.991 -11.172
  138   1HD   LYS  19          2HD       LYS  19   8.205  -7.692 -12.895
  139   2HD   LYS  19          1HD       LYS  19   7.412  -8.375 -11.479
  140   1HE   LYS  19          2HE       LYS  19   5.533  -7.208 -13.387
  141   2HE   LYS  19          1HE       LYS  19   6.487  -8.517 -14.078
  142   1HZ   LYS  19          1HZ       LYS  19   5.580  -9.182 -11.474
  143   2HZ   LYS  19          3HZ       LYS  19   4.273  -8.747 -12.463
  144   3HZ   LYS  19          2HZ       LYS  19   5.322  -9.994 -12.943
  145    H    CYS  20           H        CYS  20   6.099  -7.135  -7.634
  146    HA   CYS  20           HA       CYS  20   8.606  -6.982  -6.451
  147   1HB   CYS  20          2HB       CYS  20   6.780  -8.161  -5.399
  148   2HB   CYS  20          1HB       CYS  20   6.737  -9.339  -6.703
  149    H    VAL  21           H        VAL  21  10.428  -7.045  -7.626
  150    HA   VAL  21           HA       VAL  21  10.763  -9.179  -9.628
  151    HB   VAL  21           HB       VAL  21  12.454  -6.722  -9.205
  152   1HG1  VAL  21          2HG1      VAL  21  12.453  -8.972 -11.139
  153   2HG1  VAL  21          1HG1      VAL  21  12.806  -7.361 -11.771
  154   3HG1  VAL  21          3HG1      VAL  21  13.801  -8.041 -10.481
  155   1HG2  VAL  21          2HG2      VAL  21   9.854  -7.077 -10.509
  156   2HG2  VAL  21          1HG2      VAL  21  10.672  -5.599 -10.000
  157   3HG2  VAL  21          3HG2      VAL  21  11.075  -6.341 -11.550
  158    H    TYR  22           H        TYR  22  12.920 -10.159  -9.770
  159    HA   TYR  22           HA       TYR  22  13.990 -10.730  -7.087
  160   1HB   TYR  22          2HB       TYR  22  13.065 -12.540  -8.681
  161   2HB   TYR  22          1HB       TYR  22  14.554 -12.301  -9.585
  162    HD1  TYR  22           HD2      TYR  22  16.755 -12.409  -8.148
  163    HD2  TYR  22           HD1      TYR  22  13.012 -14.103  -6.991
  164    HE1  TYR  22           HE2      TYR  22  17.921 -13.940  -6.607
  165    HE2  TYR  22           HE1      TYR  22  14.182 -15.633  -5.453
  166    HH   TYR  22           HH       TYR  22  17.719 -15.582  -5.137
  167    H    ALA  23           H        ALA  23  16.250 -10.781  -6.760
  168    HA   ALA  23           HA       ALA  23  17.766  -9.175  -8.716
  169   1HB   ALA  23          3HB       ALA  23  18.037  -9.400  -5.714
  170   2HB   ALA  23          2HB       ALA  23  19.212  -8.578  -6.744
  171   3HB   ALA  23          1HB       ALA  23  17.554  -7.981  -6.645
  172    H    TRP  24           H        TRP  24  19.557 -10.593  -6.162
  173    HA   TRP  24           HA       TRP  24  20.172 -13.064  -7.514
  174   1HB   TRP  24          2HB       TRP  24  22.715 -12.207  -7.381
  175   2HB   TRP  24          1HB       TRP  24  21.735 -12.108  -8.837
  176    HD1  TRP  24           HD1      TRP  24  20.360  -9.574  -9.066
  177    HE1  TRP  24           HE1      TRP  24  21.354  -7.273  -8.589
  178    HE3  TRP  24           HE3      TRP  24  24.348 -10.907  -6.138
  179    HZ2  TRP  24           HZ2      TRP  24  23.503  -6.134  -7.194
  180    HZ3  TRP  24           HZ3      TRP  24  25.839  -9.152  -5.267
  181    HH2  TRP  24           HH2      TRP  24  25.422  -6.785  -5.789
  182    H    TYR  25           H        TYR  25  21.945 -10.867  -5.360
  183    HA   TYR  25           HA       TYR  25  22.374 -13.006  -3.461
  184   1HB   TYR  25          2HB       TYR  25  24.033 -11.696  -2.577
  185   2HB   TYR  25          1HB       TYR  25  24.011 -11.098  -4.226
  186    HD1  TYR  25           HD1      TYR  25  22.310  -9.089  -4.619
  187    HD2  TYR  25           HD2      TYR  25  24.014 -10.166  -0.857
  188    HE1  TYR  25           HE1      TYR  25  21.888  -6.812  -3.773
  189    HE2  TYR  25           HE2      TYR  25  23.591  -7.888  -0.015
  190    HH   TYR  25           HH       TYR  25  21.565  -5.873  -1.091
  191    H    ASN  26           H        ASN  26  19.733 -11.463  -4.055
  192    HA   ASN  26           HA       ASN  26  18.883 -11.328  -1.269
  193   1HB   ASN  26          2HB       ASN  26  19.103  -9.010  -3.101
  194   2HB   ASN  26          1HB       ASN  26  17.606  -9.135  -2.175
  195   1HD2  ASN  26          2HD2      ASN  26  20.604  -7.458  -0.391
  196   2HD2  ASN  26          1HD2      ASN  26  20.192  -7.446  -2.067
  197    H    GLU  27           H        GLU  27  17.635 -13.141  -1.699
  198    HA   GLU  27           HA       GLU  27  15.940 -13.501  -3.911
  199   1HB   GLU  27          2HB       GLU  27  16.521 -15.359  -2.482
  200   2HB   GLU  27          1HB       GLU  27  15.743 -14.589  -1.102
  201   1HG   GLU  27          2HG       GLU  27  13.586 -14.652  -2.434
  202   2HG   GLU  27          1HG       GLU  27  14.429 -15.683  -3.591
  203    H    GLN  28           H        GLN  28  15.593 -11.623  -1.012
  204    HA   GLN  28           HA       GLN  28  12.798 -11.363  -0.911
  205   1HB   GLN  28          2HB       GLN  28  13.217  -9.378   0.422
  206   2HB   GLN  28          1HB       GLN  28  14.317 -10.666   0.896
  207   1HG   GLN  28          2HG       GLN  28  16.020  -9.606  -0.671
  208   2HG   GLN  28          1HG       GLN  28  14.928  -8.224  -0.770
  209   1HE2  GLN  28          2HE2      GLN  28  17.394  -8.609   2.344
  210   2HE2  GLN  28          1HE2      GLN  28  17.480  -9.553   0.900
  211    H    GLY  29           H        GLY  29  15.030 -10.284  -3.207
  212   1HA   GLY  29          2HA       GLY  29  14.959  -8.790  -4.957
  213   2HA   GLY  29          1HA       GLY  29  13.283  -9.325  -5.072
  214    H    SER  30           H        SER  30  13.076  -7.066  -5.898
  215    HA   SER  30           HA       SER  30  12.132  -5.353  -3.751
  216   1HB   SER  30          2HB       SER  30  13.394  -3.391  -4.884
  217   2HB   SER  30          1HB       SER  30  14.256  -4.422  -3.750
  218    HG   SER  30           HG       SER  30  14.652  -4.048  -6.435
  219    H    CYS  31           H        CYS  31  10.966  -3.461  -4.616
  220    HA   CYS  31           HA       CYS  31   9.243  -4.242  -6.760
  221   1HB   CYS  31          2HB       CYS  31   9.461  -1.608  -5.301
  222   2HB   CYS  31          1HB       CYS  31   8.124  -2.122  -6.314
  223    H    GLN  32           H        GLN  32   9.615  -3.944  -8.849
  224    HA   GLN  32           HA       GLN  32  10.942  -1.514  -9.781
  225   1HB   GLN  32          2HB       GLN  32  12.003  -4.296 -10.174
  226   2HB   GLN  32          1HB       GLN  32  12.339  -3.022 -11.343
  227   1HG   GLN  32          2HG       GLN  32  13.363  -1.655  -9.602
  228   2HG   GLN  32          1HG       GLN  32  12.961  -2.868  -8.385
  229   1HE2  GLN  32          2HE2      GLN  32  16.320  -3.841  -8.984
  230   2HE2  GLN  32          1HE2      GLN  32  15.299  -2.857  -7.997
  231    H    SER  33           H        SER  33   9.909  -0.743 -11.502
  232    HA   SER  33           HA       SER  33   7.623  -1.937 -12.592
  233   1HB   SER  33          2HB       SER  33   7.543  -0.110 -14.051
  234   2HB   SER  33          1HB       SER  33   8.387   0.520 -12.643
  235    HG   SER  33           HG       SER  33  10.254   0.530 -13.763
  236    H    THR  34           H        THR  34   7.324  -2.547 -14.898
  237    HA   THR  34           HA       THR  34   9.672  -3.680 -16.202
  238    HB   THR  34           HB       THR  34   8.417  -5.824 -16.556
  239    HG1  THR  34           HG1      THR  34   6.855  -6.005 -14.595
  240   1HG2  THR  34          1HG2      THR  34   9.883  -4.937 -14.282
  241   2HG2  THR  34          3HG2      THR  34   8.624  -6.045 -13.734
  242   3HG2  THR  34          2HG2      THR  34   9.784  -6.561 -14.962
  243    H    ILE  35           H        ILE  35   9.325  -4.226 -18.420
  244    HA   ILE  35           HA       ILE  35   7.762  -2.365 -19.831
  245    HB   ILE  35           HB       ILE  35   9.266  -4.845 -20.561
  246   1HG1  ILE  35          2HG1      ILE  35  10.289  -2.556 -20.064
  247   2HG1  ILE  35          1HG1      ILE  35  10.770  -3.351 -21.559
  248   1HG2  ILE  35          2HG2      ILE  35   7.535  -3.203 -22.411
  249   2HG2  ILE  35          1HG2      ILE  35   8.799  -4.307 -22.959
  250   3HG2  ILE  35          3HG2      ILE  35   7.405  -4.931 -22.075
  251   1HD1  ILE  35          3HD1      ILE  35   9.054  -2.013 -22.771
  252   2HD1  ILE  35          2HD1      ILE  35   8.699  -1.166 -21.265
  253   3HD1  ILE  35          1HD1      ILE  35  10.291  -1.011 -22.011
  254    H    SER  36           H        SER  36   7.221  -5.767 -19.020
  255    HA   SER  36           HA       SER  36   4.838  -6.108 -20.503
  256   1HB   SER  36          2HB       SER  36   4.606  -8.135 -19.358
  257   2HB   SER  36          1HB       SER  36   6.344  -7.875 -19.380
  258    HG   SER  36           HG       SER  36   6.208  -7.128 -17.246
  259    H    ALA  37           H        ALA  37   5.584  -4.449 -17.606
  260    HA   ALA  37           HA       ALA  37   3.053  -4.522 -16.326
  261   1HB   ALA  37          1HB       ALA  37   5.346  -3.798 -15.381
  262   2HB   ALA  37          3HB       ALA  37   4.980  -2.228 -16.100
  263   3HB   ALA  37          2HB       ALA  37   3.913  -2.904 -14.867
  264    H    LEU  38           H        LEU  38   4.143  -3.011 -19.148
  265    HA   LEU  38           HA       LEU  38   2.645  -0.628 -19.165
  266   1HB   LEU  38          2HB       LEU  38   3.654  -2.409 -21.382
  267   2HB   LEU  38          1HB       LEU  38   2.857  -0.866 -21.670
  268    HG   LEU  38           HG       LEU  38   5.354  -1.265 -20.026
  269   1HD1  LEU  38          3HD1      LEU  38   4.963  -0.206 -22.824
  270   2HD1  LEU  38          2HD1      LEU  38   6.453  -0.021 -21.896
  271   3HD1  LEU  38          1HD1      LEU  38   5.880  -1.632 -22.335
  272   1HD2  LEU  38          3HD2      LEU  38   3.588   1.066 -20.569
  273   2HD2  LEU  38          2HD2      LEU  38   4.512   0.659 -19.121
  274   3HD2  LEU  38          1HD2      LEU  38   5.328   1.352 -20.523
  275    H    TRP  39           H        TRP  39   1.858  -3.960 -19.870
  276    HA   TRP  39           HA       TRP  39  -0.609  -3.559 -21.185
  277   1HB   TRP  39          2HB       TRP  39  -0.193  -5.915 -19.404
  278   2HB   TRP  39          1HB       TRP  39  -0.896  -5.837 -21.014
  279    HD1  TRP  39           HD1      TRP  39   1.572  -7.839 -20.044
  280    HE1  TRP  39           HE1      TRP  39   3.712  -7.784 -21.437
  281    HE3  TRP  39           HE3      TRP  39   1.006  -3.315 -22.379
  282    HZ2  TRP  39           HZ2      TRP  39   5.014  -6.100 -23.265
  283    HZ3  TRP  39           HZ3      TRP  39   2.743  -2.543 -23.943
  284    HH2  TRP  39           HH2      TRP  39   4.731  -3.922 -24.385
  285    H    LYS  40           H        LYS  40   0.391  -3.265 -17.925
  286    HA   LYS  40           HA       LYS  40  -2.398  -2.796 -17.074
  287   1HB   LYS  40          2HB       LYS  40  -1.649  -3.569 -14.798
  288   2HB   LYS  40          1HB       LYS  40  -1.727  -4.835 -16.020
  289   1HG   LYS  40          2HG       LYS  40   0.770  -4.355 -16.408
  290   2HG   LYS  40          1HG       LYS  40   0.707  -3.475 -14.883
  291   1HD   LYS  40          2HD       LYS  40  -0.310  -5.605 -13.889
  292   2HD   LYS  40          1HD       LYS  40   0.211  -6.407 -15.369
  293   1HE   LYS  40          2HE       LYS  40   1.903  -6.709 -13.665
  294   2HE   LYS  40          1HE       LYS  40   2.533  -5.644 -14.919
  295   1HZ   LYS  40          2HZ       LYS  40   1.311  -4.674 -12.397
  296   2HZ   LYS  40          1HZ       LYS  40   2.981  -4.910 -12.605
  297   3HZ   LYS  40          3HZ       LYS  40   2.165  -3.762 -13.549
  298    H    LYS  41           H        LYS  41  -0.631  -0.887 -18.160
  299    HA   LYS  41           HA       LYS  41   1.007   0.621 -16.659
  300   1HB   LYS  41          2HB       LYS  41  -0.765   1.119 -18.841
  301   2HB   LYS  41          1HB       LYS  41  -0.846   2.481 -17.725
  302   1HG   LYS  41          2HG       LYS  41   1.876   1.496 -18.235
  303   2HG   LYS  41          1HG       LYS  41   1.067   2.150 -19.656
  304   1HD   LYS  41          2HD       LYS  41   1.793   4.145 -18.896
  305   2HD   LYS  41          1HD       LYS  41   0.447   4.024 -17.765
  306   1HE   LYS  41          2HE       LYS  41   2.014   2.861 -16.172
  307   2HE   LYS  41          1HE       LYS  41   3.328   3.255 -17.277
  308   1HZ   LYS  41          2HZ       LYS  41   1.773   5.553 -16.734
  309   2HZ   LYS  41          1HZ       LYS  41   2.280   4.843 -15.277
  310   3HZ   LYS  41          3HZ       LYS  41   3.426   5.287 -16.446
  311    H    CYS  42           HN       CYS  42   0.945   1.174 -14.612
  312    HA   CYS  42           HA       CYS  42  -1.217   1.174 -12.886
  313   1HB   CYS  42          2HB       CYS  42   1.272   1.323 -12.376
  314   2HB   CYS  42          1HB       CYS  42   1.121   3.051 -12.631
   
  No H/Q in entry =         314
  Start of MODEL   11
    1   1H    CYS   1          2H        CYS   1   1.358   0.272   0.569
    2   2H    CYS   1          1H        CYS   1   0.969   1.859   0.103
    3   3H    CYS   1          3H        CYS   1  -0.009   0.566  -0.396
    4    HA   CYS   1           HA       CYS   1   1.603  -0.264  -1.853
    5   1HB   CYS   1          2HB       CYS   1   0.401   1.959  -2.439
    6   2HB   CYS   1          1HB       CYS   1   1.974   2.695  -2.163
    7    H    ALA   2           H        ALA   2   3.772   0.111  -2.868
    8    HA   ALA   2           HA       ALA   2   5.772   0.996  -0.889
    9   1HB   ALA   2          3HB       ALA   2   5.643  -1.464  -0.895
   10   2HB   ALA   2          2HB       ALA   2   5.941  -1.469  -2.634
   11   3HB   ALA   2          1HB       ALA   2   7.189  -0.896  -1.527
   12    H    LYS   3           H        LYS   3   7.841   1.579  -1.853
   13    HA   LYS   3           HA       LYS   3   7.474   2.710  -4.552
   14   1HB   LYS   3          2HB       LYS   3   9.151   3.493  -2.186
   15   2HB   LYS   3          1HB       LYS   3   9.573   4.043  -3.805
   16   1HG   LYS   3          2HG       LYS   3   7.337   5.037  -4.048
   17   2HG   LYS   3          1HG       LYS   3   6.918   4.489  -2.427
   18   1HD   LYS   3          2HD       LYS   3   9.396   6.096  -2.670
   19   2HD   LYS   3          1HD       LYS   3   7.881   6.951  -2.950
   20   1HE   LYS   3          2HE       LYS   3   7.358   6.930  -0.769
   21   2HE   LYS   3          1HE       LYS   3   7.738   5.217  -0.620
   22   1HZ   LYS   3          2HZ       LYS   3  10.000   7.022  -0.890
   23   2HZ   LYS   3          1HZ       LYS   3   9.132   7.126   0.567
   24   3HZ   LYS   3          3HZ       LYS   3   9.813   5.647   0.091
   25    H    LYS   4           H        LYS   4   9.632   2.912  -5.763
   26    HA   LYS   4           HA       LYS   4  10.602   0.308  -6.302
   27   1HB   LYS   4          2HB       LYS   4  11.790   2.979  -7.073
   28   2HB   LYS   4          1HB       LYS   4  12.174   1.424  -7.808
   29   1HG   LYS   4          2HG       LYS   4  10.394   1.551  -9.157
   30   2HG   LYS   4          1HG       LYS   4   9.321   1.862  -7.794
   31   1HD   LYS   4          2HD       LYS   4   9.435   4.142  -8.047
   32   2HD   LYS   4          1HD       LYS   4  11.058   4.094  -8.731
   33   1HE   LYS   4          2HE       LYS   4  10.295   3.851 -10.851
   34   2HE   LYS   4          1HE       LYS   4   8.973   2.796 -10.363
   35   1HZ   LYS   4          3HZ       LYS   4   8.326   5.225  -9.306
   36   2HZ   LYS   4          2HZ       LYS   4   8.976   5.612 -10.827
   37   3HZ   LYS   4          1HZ       LYS   4   7.667   4.537 -10.709
   38    H    ARG   5           H        ARG   5  12.676  -0.563  -5.982
   39    HA   ARG   5           HA       ARG   5  14.700  -0.913  -4.930
   40   1HB   ARG   5          2HB       ARG   5  14.438   1.722  -3.516
   41   2HB   ARG   5          1HB       ARG   5  15.901   0.859  -3.984
   42   1HG   ARG   5          2HG       ARG   5  15.978   2.052  -5.869
   43   2HG   ARG   5          1HG       ARG   5  14.435   1.354  -6.357
   44   1HD   ARG   5          2HD       ARG   5  13.364   3.292  -5.992
   45   2HD   ARG   5          1HD       ARG   5  14.058   3.439  -4.378
   46    HE   ARG   5           HE       ARG   5  16.121   4.145  -6.000
   47   1HH1  ARG   5          1HH2      ARG   5  12.782   5.102  -5.754
   48   2HH1  ARG   5          2HH2      ARG   5  13.063   6.715  -6.321
   49   1HH2  ARG   5          2HH1      ARG   5  16.506   6.272  -6.753
   50   2HH2  ARG   5          1HH1      ARG   5  15.181   7.380  -6.889
   51    H    ASN   6           H        ASN   6  11.754  -0.781  -3.627
   52    HA   ASN   6           HA       ASN   6  12.500  -1.079  -0.827
   53   1HB   ASN   6          2HB       ASN   6   9.877  -1.091  -2.310
   54   2HB   ASN   6          1HB       ASN   6  10.003  -1.505  -0.602
   55   1HD2  ASN   6          2HD2      ASN   6  10.972   2.318  -1.758
   56   2HD2  ASN   6          1HD2      ASN   6  11.277   0.977  -2.804
   57    H    TRP   7           H        TRP   7  13.173  -2.972  -0.088
   58    HA   TRP   7           HA       TRP   7  13.315  -5.346  -1.475
   59   1HB   TRP   7          2HB       TRP   7  13.409  -4.621   1.397
   60   2HB   TRP   7          1HB       TRP   7  13.225  -6.323   0.992
   61    HD1  TRP   7           HD1      TRP   7  15.138  -6.058  -1.729
   62    HE1  TRP   7           HE1      TRP   7  17.660  -5.959  -1.343
   63    HE3  TRP   7           HE3      TRP   7  15.224  -4.647   3.174
   64    HZ2  TRP   7           HZ2      TRP   7  19.471  -5.371   0.722
   65    HZ3  TRP   7           HZ3      TRP   7  17.390  -4.328   4.308
   66    HH2  TRP   7           HH2      TRP   7  19.498  -4.687   3.092
   67    H    CYS   8           H        CYS   8  12.155  -7.296  -1.382
   68    HA   CYS   8           HA       CYS   8   9.262  -6.937  -0.965
   69   1HB   CYS   8          2HB       CYS   8  10.583  -7.822  -3.150
   70   2HB   CYS   8          1HB       CYS   8  10.299  -9.347  -2.324
   71    H    GLY   9           H        GLY   9   8.050  -8.639   0.024
   72   1HA   GLY   9          2HA       GLY   9   9.300 -10.860   1.324
   73   2HA   GLY   9          1HA       GLY   9   8.952  -9.558   2.461
   74    H    LYS  10           H        LYS  10   7.665 -12.160   0.647
   75    HA   LYS  10           HA       LYS  10   5.628 -13.213   0.702
   76   1HB   LYS  10          2HB       LYS  10   5.891 -12.182   3.197
   77   2HB   LYS  10          1HB       LYS  10   4.416 -11.377   2.664
   78   1HG   LYS  10          2HG       LYS  10   3.501 -13.299   3.511
   79   2HG   LYS  10          1HG       LYS  10   3.804 -13.836   1.860
   80   1HD   LYS  10          2HD       LYS  10   5.109 -15.468   2.645
   81   2HD   LYS  10          1HD       LYS  10   6.191 -14.259   3.332
   82   1HE   LYS  10          2HE       LYS  10   5.634 -15.344   5.262
   83   2HE   LYS  10          1HE       LYS  10   4.288 -14.209   5.209
   84   1HZ   LYS  10          2HZ       LYS  10   3.000 -15.943   4.043
   85   2HZ   LYS  10          1HZ       LYS  10   4.282 -17.029   4.292
   86   3HZ   LYS  10          3HZ       LYS  10   3.447 -16.385   5.621
   87    H    THR  11           H        THR  11   3.071 -12.338   0.925
   88    HA   THR  11           HA       THR  11   2.664 -10.959  -1.531
   89    HB   THR  11           HB       THR  11   0.269 -10.994  -0.846
   90    HG1  THR  11           HG1      THR  11   0.259 -10.884   1.319
   91   1HG2  THR  11          2HG2      THR  11   1.581 -12.947  -1.907
   92   2HG2  THR  11          1HG2      THR  11   1.479 -13.690  -0.311
   93   3HG2  THR  11          3HG2      THR  11   0.003 -13.291  -1.192
   94    H    GLU  12           H        GLU  12   3.277  -8.884  -1.680
   95    HA   GLU  12           HA       GLU  12   2.202  -6.993   0.319
   96   1HB   GLU  12          2HB       GLU  12   4.918  -7.052  -0.981
   97   2HB   GLU  12          1HB       GLU  12   4.251  -5.583  -0.270
   98   1HG   GLU  12          2HG       GLU  12   3.819  -7.402   1.727
   99   2HG   GLU  12          1HG       GLU  12   5.335  -7.985   1.038
  100    H    ASP  13           H        ASP  13   2.741  -4.630  -0.881
  101    HA   ASP  13           HA       ASP  13   1.635  -4.819  -3.604
  102   1HB   ASP  13          2HB       ASP  13   0.554  -3.031  -1.422
  103   2HB   ASP  13          1HB       ASP  13   0.021  -3.047  -3.102
  104    H    CYS  14           H        CYS  14   2.814  -3.670  -4.967
  105    HA   CYS  14           HA       CYS  14   4.396  -1.387  -3.953
  106   1HB   CYS  14          2HB       CYS  14   4.754  -2.796  -6.598
  107   2HB   CYS  14          1HB       CYS  14   5.856  -1.669  -5.823
  108    H    CYS  15           H        CYS  15   4.705   0.290  -5.838
  109    HA   CYS  15           HA       CYS  15   1.995   1.033  -6.676
  110   1HB   CYS  15          2HB       CYS  15   4.557   2.539  -6.296
  111   2HB   CYS  15          1HB       CYS  15   3.231   3.234  -7.217
  112    H    CYS  16           H        CYS  16   1.520   0.051  -8.559
  113    HA   CYS  16           HA       CYS  16   3.061  -0.834 -10.594
  114   1HB   CYS  16          2HB       CYS  16   1.140  -0.126 -12.139
  115   2HB   CYS  16          1HB       CYS  16   0.780  -1.231 -10.825
  116    HA   PRO  17           HA       PRO  17   3.093  -0.984 -12.774
  117   1HB   PRO  17          2HB       PRO  17   5.265  -1.071 -14.385
  118   2HB   PRO  17          1HB       PRO  17   3.732  -0.320 -14.853
  119   1HG   PRO  17          2HG       PRO  17   6.274   0.945 -14.016
  120   2HG   PRO  17          1HG       PRO  17   5.034   1.530 -15.137
  121   1HD   PRO  17          2HD       PRO  17   5.366   2.375 -12.505
  122   2HD   PRO  17          1HD       PRO  17   3.910   2.610 -13.491
  123    H    MET  18           H        MET  18   5.107   0.198 -10.533
  124    HA   MET  18           HA       MET  18   7.286  -1.579 -10.422
  125   1HB   MET  18          2HB       MET  18   5.815  -0.096  -8.244
  126   2HB   MET  18          1HB       MET  18   7.334  -0.949  -8.006
  127   1HG   MET  18          2HG       MET  18   8.541   0.674  -9.005
  128   2HG   MET  18          1HG       MET  18   7.352   0.900 -10.281
  129   1HE   MET  18          1HE       MET  18   6.284   0.896  -6.619
  130   2HE   MET  18          3HE       MET  18   7.875   1.617  -6.338
  131   3HE   MET  18          2HE       MET  18   6.414   2.574  -6.099
  132    H    LYS  19           H        LYS  19   7.454  -3.642  -9.790
  133    HA   LYS  19           HA       LYS  19   5.331  -4.863  -8.181
  134   1HB   LYS  19          2HB       LYS  19   4.962  -6.667  -9.677
  135   2HB   LYS  19          1HB       LYS  19   4.835  -5.197 -10.640
  136   1HG   LYS  19          2HG       LYS  19   6.506  -5.861 -11.969
  137   2HG   LYS  19          1HG       LYS  19   7.569  -6.101 -10.585
  138   1HD   LYS  19          2HD       LYS  19   7.382  -8.203 -11.715
  139   2HD   LYS  19          1HD       LYS  19   6.452  -8.325 -10.224
  140   1HE   LYS  19          2HE       LYS  19   4.469  -8.494 -11.320
  141   2HE   LYS  19          1HE       LYS  19   4.958  -7.378 -12.591
  142   1HZ   LYS  19          3HZ       LYS  19   6.560  -9.547 -12.959
  143   2HZ   LYS  19          2HZ       LYS  19   5.067 -10.233 -12.529
  144   3HZ   LYS  19          1HZ       LYS  19   5.169  -9.172 -13.853
  145    H    CYS  20           H        CYS  20   5.966  -6.871  -7.211
  146    HA   CYS  20           HA       CYS  20   8.505  -6.885  -6.089
  147   1HB   CYS  20          2HB       CYS  20   6.457  -8.124  -5.293
  148   2HB   CYS  20          1HB       CYS  20   6.791  -9.329  -6.529
  149    H    VAL  21           H        VAL  21  10.303  -6.910  -7.294
  150    HA   VAL  21           HA       VAL  21  10.539  -8.857  -9.493
  151    HB   VAL  21           HB       VAL  21  12.172  -6.399  -8.871
  152   1HG1  VAL  21          3HG1      VAL  21  12.290  -8.332 -11.186
  153   2HG1  VAL  21          2HG1      VAL  21  13.110  -6.770 -11.146
  154   3HG1  VAL  21          1HG1      VAL  21  13.549  -8.026  -9.988
  155   1HG2  VAL  21          1HG2      VAL  21   9.746  -6.887 -10.474
  156   2HG2  VAL  21          3HG2      VAL  21  10.347  -5.392  -9.752
  157   3HG2  VAL  21          2HG2      VAL  21  11.009  -5.960 -11.287
  158    H    TYR  22           H        TYR  22  12.739  -9.795  -9.783
  159    HA   TYR  22           HA       TYR  22  13.916 -10.518  -7.167
  160   1HB   TYR  22          2HB       TYR  22  12.699 -12.276  -8.614
  161   2HB   TYR  22          1HB       TYR  22  14.105 -12.179  -9.663
  162    HD1  TYR  22           HD1      TYR  22  16.412 -12.197  -8.168
  163    HD2  TYR  22           HD2      TYR  22  12.696 -14.037  -7.155
  164    HE1  TYR  22           HE1      TYR  22  17.596 -13.788  -6.702
  165    HE2  TYR  22           HE2      TYR  22  13.884 -15.625  -5.691
  166    HH   TYR  22           HH       TYR  22  17.367 -15.809  -5.611
  167    H    ALA  23           H        ALA  23  16.064 -10.249  -6.878
  168    HA   ALA  23           HA       ALA  23  17.563  -8.925  -9.015
  169   1HB   ALA  23          3HB       ALA  23  17.935  -9.219  -6.048
  170   2HB   ALA  23          2HB       ALA  23  19.278  -8.715  -7.076
  171   3HB   ALA  23          1HB       ALA  23  17.804  -7.746  -7.010
  172    H    TRP  24           H        TRP  24  19.456 -10.603  -6.707
  173    HA   TRP  24           HA       TRP  24  19.765 -13.028  -8.247
  174   1HB   TRP  24          2HB       TRP  24  22.374 -12.390  -8.210
  175   2HB   TRP  24          1HB       TRP  24  21.330 -12.096  -9.592
  176    HD1  TRP  24           HD1      TRP  24  20.134  -9.447  -9.493
  177    HE1  TRP  24           HE1      TRP  24  21.359  -7.280  -8.929
  178    HE3  TRP  24           HE3      TRP  24  24.218 -11.336  -7.047
  179    HZ2  TRP  24           HZ2      TRP  24  23.707  -6.439  -7.645
  180    HZ3  TRP  24           HZ3      TRP  24  25.922  -9.787  -6.176
  181    HH2  TRP  24           HH2      TRP  24  25.671  -7.358  -6.471
  182    H    TYR  25           H        TYR  25  21.934 -11.202  -6.121
  183    HA   TYR  25           HA       TYR  25  22.190 -13.474  -4.356
  184   1HB   TYR  25          2HB       TYR  25  24.042 -12.418  -3.501
  185   2HB   TYR  25          1HB       TYR  25  24.015 -11.764  -5.129
  186    HD1  TYR  25           HD2      TYR  25  22.743  -9.512  -5.431
  187    HD2  TYR  25           HD1      TYR  25  24.142 -10.992  -1.680
  188    HE1  TYR  25           HE2      TYR  25  22.668  -7.231  -4.501
  189    HE2  TYR  25           HE1      TYR  25  24.067  -8.708  -0.754
  190    HH   TYR  25           HH       TYR  25  22.407  -6.272  -1.989
  191    H    ASN  26           H        ASN  26  19.795 -11.431  -4.717
  192    HA   ASN  26           HA       ASN  26  19.167 -11.305  -1.847
  193   1HB   ASN  26          2HB       ASN  26  19.383  -9.076  -3.769
  194   2HB   ASN  26          1HB       ASN  26  17.918  -9.082  -2.786
  195   1HD2  ASN  26          2HD2      ASN  26  21.584  -8.593  -1.031
  196   2HD2  ASN  26          1HD2      ASN  26  21.437  -9.311  -2.594
  197    H    GLU  27           H        GLU  27  17.897 -13.184  -2.288
  198    HA   GLU  27           HA       GLU  27  15.921 -13.385  -4.264
  199   1HB   GLU  27          2HB       GLU  27  16.661 -15.320  -3.008
  200   2HB   GLU  27          1HB       GLU  27  16.031 -14.629  -1.515
  201   1HG   GLU  27          2HG       GLU  27  13.750 -14.617  -2.625
  202   2HG   GLU  27          1HG       GLU  27  14.466 -15.586  -3.913
  203    H    GLN  28           H        GLN  28  16.000 -11.566  -1.337
  204    HA   GLN  28           HA       GLN  28  13.269 -11.341  -0.757
  205   1HB   GLN  28          2HB       GLN  28  13.913  -9.185   0.313
  206   2HB   GLN  28          1HB       GLN  28  14.911 -10.548   0.805
  207   1HG   GLN  28          2HG       GLN  28  16.375  -9.672  -1.271
  208   2HG   GLN  28          1HG       GLN  28  15.621  -8.150  -0.794
  209   1HE2  GLN  28          2HE2      GLN  28  17.220  -7.989   2.369
  210   2HE2  GLN  28          1HE2      GLN  28  15.801  -7.545   1.489
  211    H    GLY  29           H        GLY  29  15.149 -10.070  -3.339
  212   1HA   GLY  29          2HA       GLY  29  14.687  -8.655  -5.093
  213   2HA   GLY  29          1HA       GLY  29  13.043  -9.276  -4.938
  214    H    SER  30           H        SER  30  12.541  -7.044  -5.695
  215    HA   SER  30           HA       SER  30  11.643  -5.435  -3.523
  216   1HB   SER  30          2HB       SER  30  12.977  -3.379  -4.379
  217   2HB   SER  30          1HB       SER  30  13.746  -4.502  -3.270
  218    HG   SER  30           HG       SER  30  15.062  -3.980  -5.123
  219    H    CYS  31           H        CYS  31  10.454  -3.533  -4.270
  220    HA   CYS  31           HA       CYS  31   8.885  -4.098  -6.557
  221   1HB   CYS  31          2HB       CYS  31   9.163  -1.494  -5.052
  222   2HB   CYS  31          1HB       CYS  31   7.862  -1.921  -6.145
  223    H    GLN  32           H        GLN  32   9.430  -3.825  -8.612
  224    HA   GLN  32           HA       GLN  32  10.912  -1.446  -9.448
  225   1HB   GLN  32          2HB       GLN  32  11.837  -4.274  -9.952
  226   2HB   GLN  32          1HB       GLN  32  12.413  -2.885 -10.870
  227   1HG   GLN  32          2HG       GLN  32  13.318  -1.873  -8.865
  228   2HG   GLN  32          1HG       GLN  32  12.623  -3.149  -7.864
  229   1HE2  GLN  32          2HE2      GLN  32  16.184  -3.963  -8.452
  230   2HE2  GLN  32          1HE2      GLN  32  15.300  -2.672  -7.720
  231    H    SER  33           H        SER  33  10.254  -0.710 -11.403
  232    HA   SER  33           HA       SER  33   7.880  -1.601 -12.564
  233   1HB   SER  33          2HB       SER  33   8.237   0.022 -14.211
  234   2HB   SER  33          1HB       SER  33   9.097   0.654 -12.814
  235    HG   SER  33           HG       SER  33  10.182  -0.711 -15.069
  236    H    THR  34           H        THR  34   7.581  -2.447 -14.768
  237    HA   THR  34           HA       THR  34   9.738  -4.049 -15.864
  238    HB   THR  34           HB       THR  34   8.185  -6.061 -15.911
  239    HG1  THR  34           HG1      THR  34   6.266  -5.423 -15.222
  240   1HG2  THR  34          1HG2      THR  34  10.209  -5.714 -14.402
  241   2HG2  THR  34          3HG2      THR  34   9.055  -5.274 -13.140
  242   3HG2  THR  34          2HG2      THR  34   9.009  -6.887 -13.859
  243    H    ILE  35           H        ILE  35   9.383  -4.687 -18.017
  244    HA   ILE  35           HA       ILE  35   7.841  -2.937 -19.590
  245    HB   ILE  35           HB       ILE  35   8.707  -5.653 -20.516
  246   1HG1  ILE  35          2HG1      ILE  35  10.777  -3.793 -21.003
  247   2HG1  ILE  35          1HG1      ILE  35  10.376  -3.671 -19.292
  248   1HG2  ILE  35          3HG2      ILE  35   8.190  -2.986 -21.751
  249   2HG2  ILE  35          2HG2      ILE  35   9.360  -4.069 -22.506
  250   3HG2  ILE  35          1HG2      ILE  35   7.688  -4.592 -22.284
  251   1HD1  ILE  35          3HD1      ILE  35  10.855  -6.313 -20.672
  252   2HD1  ILE  35          2HD1      ILE  35  12.143  -5.393 -19.891
  253   3HD1  ILE  35          1HD1      ILE  35  10.784  -5.994 -18.938
  254    H    SER  36           H        SER  36   7.199  -6.136 -18.300
  255    HA   SER  36           HA       SER  36   4.874  -6.724 -19.791
  256   1HB   SER  36          2HB       SER  36   4.547  -8.484 -18.284
  257   2HB   SER  36          1HB       SER  36   6.291  -8.256 -18.274
  258    HG   SER  36           HG       SER  36   5.921  -8.139 -16.166
  259    H    ALA  37           H        ALA  37   5.503  -4.712 -17.036
  260    HA   ALA  37           HA       ALA  37   2.874  -4.458 -16.030
  261   1HB   ALA  37          2HB       ALA  37   4.941  -3.752 -14.826
  262   2HB   ALA  37          1HB       ALA  37   5.088  -2.402 -15.954
  263   3HB   ALA  37          3HB       ALA  37   3.697  -2.500 -14.873
  264    H    LEU  38           H        LEU  38   4.317  -3.377 -18.904
  265    HA   LEU  38           HA       LEU  38   2.953  -0.961 -19.377
  266   1HB   LEU  38          2HB       LEU  38   4.096  -3.052 -21.221
  267   2HB   LEU  38          1HB       LEU  38   3.380  -1.554 -21.803
  268    HG   LEU  38           HG       LEU  38   5.712  -1.787 -19.903
  269   1HD1  LEU  38          2HD1      LEU  38   6.023  -2.350 -22.397
  270   2HD1  LEU  38          1HD1      LEU  38   5.792  -0.620 -22.667
  271   3HD1  LEU  38          3HD1      LEU  38   7.127  -1.187 -21.659
  272   1HD2  LEU  38          2HD2      LEU  38   3.888   0.365 -20.413
  273   2HD2  LEU  38          1HD2      LEU  38   5.274   0.322 -19.320
  274   3HD2  LEU  38          3HD2      LEU  38   5.492   0.808 -21.002
  275    H    TRP  39           H        TRP  39   2.087  -4.327 -19.858
  276    HA   TRP  39           HA       TRP  39  -0.247  -3.938 -21.400
  277   1HB   TRP  39          2HB       TRP  39  -0.099  -6.173 -19.438
  278   2HB   TRP  39          1HB       TRP  39  -0.632  -6.185 -21.113
  279    HD1  TRP  39           HD1      TRP  39   1.600  -8.232 -19.794
  280    HE1  TRP  39           HE1      TRP  39   3.881  -8.359 -20.935
  281    HE3  TRP  39           HE3      TRP  39   1.554  -3.815 -22.392
  282    HZ2  TRP  39           HZ2      TRP  39   5.472  -6.845 -22.680
  283    HZ3  TRP  39           HZ3      TRP  39   3.496  -3.219 -23.782
  284    HH2  TRP  39           HH2      TRP  39   5.439  -4.718 -23.927
  285    H    LYS  40           H        LYS  40   0.501  -3.441 -18.102
  286    HA   LYS  40           HA       LYS  40  -2.323  -2.813 -17.508
  287   1HB   LYS  40          2HB       LYS  40  -1.813  -3.465 -15.146
  288   2HB   LYS  40          1HB       LYS  40  -1.781  -4.813 -16.281
  289   1HG   LYS  40          2HG       LYS  40   0.692  -4.579 -16.422
  290   2HG   LYS  40          1HG       LYS  40   0.613  -3.317 -15.195
  291   1HD   LYS  40          2HD       LYS  40  -0.597  -6.007 -14.659
  292   2HD   LYS  40          1HD       LYS  40   1.141  -5.774 -14.488
  293   1HE   LYS  40          2HE       LYS  40   0.433  -5.288 -12.347
  294   2HE   LYS  40          1HE       LYS  40   0.408  -3.683 -13.069
  295   1HZ   LYS  40          2HZ       LYS  40  -2.019  -5.285 -13.291
  296   2HZ   LYS  40          1HZ       LYS  40  -1.636  -4.674 -11.753
  297   3HZ   LYS  40          3HZ       LYS  40  -1.837  -3.612 -13.060
  298    H    LYS  41           H        LYS  41  -0.395  -1.063 -18.580
  299    HA   LYS  41           HA       LYS  41   1.219   0.490 -17.151
  300   1HB   LYS  41          2HB       LYS  41  -0.748   1.037 -19.248
  301   2HB   LYS  41          1HB       LYS  41  -0.333   2.447 -18.278
  302   1HG   LYS  41          2HG       LYS  41   1.939   0.761 -19.144
  303   2HG   LYS  41          1HG       LYS  41   1.098   1.631 -20.424
  304   1HD   LYS  41          2HD       LYS  41   2.632   3.226 -19.817
  305   2HD   LYS  41          1HD       LYS  41   1.319   3.649 -18.721
  306   1HE   LYS  41          2HE       LYS  41   2.986   1.605 -17.550
  307   2HE   LYS  41          1HE       LYS  41   3.964   2.984 -18.041
  308   1HZ   LYS  41          3HZ       LYS  41   1.540   3.104 -16.333
  309   2HZ   LYS  41          2HZ       LYS  41   3.144   3.231 -15.789
  310   3HZ   LYS  41          1HZ       LYS  41   2.488   4.430 -16.799
  311    H    CYS  42           HN       CYS  42   1.189   1.226 -15.162
  312    HA   CYS  42           HA       CYS  42  -0.967   1.356 -13.422
  313   1HB   CYS  42          2HB       CYS  42   1.517   1.494 -12.901
  314   2HB   CYS  42          1HB       CYS  42   1.414   3.196 -13.313
   
  No H/Q in entry =         314
  Start of MODEL   12
    1   1H    CYS   1          1H        CYS   1   2.100  -0.229   0.899
    2   2H    CYS   1          3H        CYS   1   0.665  -0.009   0.024
    3   3H    CYS   1          2H        CYS   1   1.292  -1.573   0.244
    4    HA   CYS   1           HA       CYS   1   2.376  -1.397  -1.648
    5   1HB   CYS   1          2HB       CYS   1   0.596   0.451  -2.056
    6   2HB   CYS   1          1HB       CYS   1   1.929   1.564  -1.793
    7    H    ALA   2           H        ALA   2   4.325  -0.364  -2.703
    8    HA   ALA   2           HA       ALA   2   6.058   1.052  -0.800
    9   1HB   ALA   2          2HB       ALA   2   6.554  -1.648  -2.008
   10   2HB   ALA   2          1HB       ALA   2   7.910  -0.579  -1.636
   11   3HB   ALA   2          3HB       ALA   2   6.820  -1.102  -0.351
   12    H    LYS   3           H        LYS   3   8.170   1.655  -1.954
   13    HA   LYS   3           HA       LYS   3   7.471   2.646  -4.642
   14   1HB   LYS   3          2HB       LYS   3   9.290   3.648  -2.474
   15   2HB   LYS   3          1HB       LYS   3   9.519   4.161  -4.144
   16   1HG   LYS   3          2HG       LYS   3   8.092   5.813  -3.440
   17   2HG   LYS   3          1HG       LYS   3   6.908   4.624  -3.977
   18   1HD   LYS   3          2HD       LYS   3   6.021   4.800  -1.923
   19   2HD   LYS   3          1HD       LYS   3   7.409   3.869  -1.368
   20   1HE   LYS   3          2HE       LYS   3   7.937   5.617  -0.073
   21   2HE   LYS   3          1HE       LYS   3   8.354   6.485  -1.548
   22   1HZ   LYS   3          2HZ       LYS   3   5.546   6.494  -1.068
   23   2HZ   LYS   3          1HZ       LYS   3   6.402   7.155   0.243
   24   3HZ   LYS   3          3HZ       LYS   3   6.604   7.800  -1.313
   25    H    LYS   4           H        LYS   4   9.676   3.083  -5.904
   26    HA   LYS   4           HA       LYS   4  10.680   0.531  -6.612
   27   1HB   LYS   4          2HB       LYS   4  11.862   3.236  -7.258
   28   2HB   LYS   4          1HB       LYS   4  12.145   1.727  -8.124
   29   1HG   LYS   4          2HG       LYS   4   9.314   2.268  -7.917
   30   2HG   LYS   4          1HG       LYS   4  10.156   3.635  -8.644
   31   1HD   LYS   4          2HD       LYS   4  10.604   0.800  -9.563
   32   2HD   LYS   4          1HD       LYS   4   9.326   1.811 -10.230
   33   1HE   LYS   4          2HE       LYS   4  11.857   3.222 -10.165
   34   2HE   LYS   4          1HE       LYS   4  11.993   1.710 -11.058
   35   1HZ   LYS   4          1HZ       LYS   4   9.703   2.647 -12.019
   36   2HZ   LYS   4          3HZ       LYS   4  10.489   4.111 -11.684
   37   3HZ   LYS   4          2HZ       LYS   4  11.214   2.977 -12.720
   38    H    ARG   5           H        ARG   5  12.630  -0.451  -6.203
   39    HA   ARG   5           HA       ARG   5  14.670  -0.871  -5.211
   40   1HB   ARG   5          2HB       ARG   5  14.590   1.838  -3.916
   41   2HB   ARG   5          1HB       ARG   5  15.992   0.869  -4.360
   42   1HG   ARG   5          2HG       ARG   5  16.098   1.943  -6.314
   43   2HG   ARG   5          1HG       ARG   5  14.503   1.322  -6.730
   44   1HD   ARG   5          2HD       ARG   5  13.534   3.325  -6.398
   45   2HD   ARG   5          1HD       ARG   5  14.371   3.558  -4.863
   46    HE   ARG   5           HE       ARG   5  15.905   4.870  -5.986
   47   1HH1  ARG   5          1HH2      ARG   5  14.323   2.722  -8.222
   48   2HH1  ARG   5          2HH2      ARG   5  15.005   3.469  -9.628
   49   1HH2  ARG   5          2HH1      ARG   5  16.766   5.901  -7.838
   50   2HH2  ARG   5          1HH1      ARG   5  16.394   5.276  -9.411
   51    H    ASN   6           H        ASN   6  11.814  -0.760  -3.902
   52    HA   ASN   6           HA       ASN   6  12.589  -0.905  -1.083
   53   1HB   ASN   6          2HB       ASN   6   9.938  -0.868  -2.512
   54   2HB   ASN   6          1HB       ASN   6  10.089  -1.199  -0.789
   55   1HD2  ASN   6          2HD2      ASN   6  11.129   2.525  -2.181
   56   2HD2  ASN   6          1HD2      ASN   6  11.325   1.127  -3.177
   57    H    TRP   7           H        TRP   7  13.198  -2.805  -0.290
   58    HA   TRP   7           HA       TRP   7  13.132  -5.248  -1.603
   59   1HB   TRP   7          2HB       TRP   7  13.468  -4.414   1.229
   60   2HB   TRP   7          1HB       TRP   7  13.218  -6.121   0.887
   61    HD1  TRP   7           HD1      TRP   7  14.950  -6.114  -1.915
   62    HE1  TRP   7           HE1      TRP   7  17.494  -6.015  -1.716
   63    HE3  TRP   7           HE3      TRP   7  15.394  -4.248   2.817
   64    HZ2  TRP   7           HZ2      TRP   7  19.450  -5.261   0.154
   65    HZ3  TRP   7           HZ3      TRP   7  17.636  -3.856   3.762
   66    HH2  TRP   7           HH2      TRP   7  19.650  -4.359   2.442
   67    H    CYS   8           H        CYS   8  11.832  -7.083  -1.430
   68    HA   CYS   8           HA       CYS   8   9.015  -6.527  -0.898
   69   1HB   CYS   8          2HB       CYS   8  10.530  -8.328  -2.588
   70   2HB   CYS   8          1HB       CYS   8   9.292  -9.188  -1.685
   71    H    GLY   9           H        GLY   9   7.896  -7.320   0.796
   72   1HA   GLY   9          2HA       GLY   9   8.517  -9.664   2.243
   73   2HA   GLY   9          1HA       GLY   9   9.170  -8.269   3.102
   74    H    LYS  10           H        LYS  10   6.184  -8.630   1.206
   75    HA   LYS  10           HA       LYS  10   4.407  -8.811   3.387
   76   1HB   LYS  10          2HB       LYS  10   5.300  -6.495   3.772
   77   2HB   LYS  10          1HB       LYS  10   4.588  -6.032   2.229
   78   1HG   LYS  10          2HG       LYS  10   2.376  -6.537   3.019
   79   2HG   LYS  10          1HG       LYS  10   3.012  -7.256   4.496
   80   1HD   LYS  10          2HD       LYS  10   3.462  -4.365   3.756
   81   2HD   LYS  10          1HD       LYS  10   2.083  -4.901   4.712
   82   1HE   LYS  10          2HE       LYS  10   4.189  -6.111   5.995
   83   2HE   LYS  10          1HE       LYS  10   4.896  -4.583   5.481
   84   1HZ   LYS  10          3HZ       LYS  10   3.058  -3.425   6.544
   85   2HZ   LYS  10          2HZ       LYS  10   2.392  -4.905   7.045
   86   3HZ   LYS  10          1HZ       LYS  10   3.891  -4.393   7.659
   87    H    THR  11           H        THR  11   2.147  -8.517   2.721
   88    HA   THR  11           HA       THR  11   1.731  -9.516   0.056
   89    HB   THR  11           HB       THR  11  -0.635  -9.557   0.693
   90    HG1  THR  11           HG1      THR  11   0.211  -8.411   3.147
   91   1HG2  THR  11          2HG2      THR  11   1.512 -10.805   2.241
   92   2HG2  THR  11          1HG2      THR  11  -0.034 -10.755   3.088
   93   3HG2  THR  11          3HG2      THR  11   0.078 -11.526   1.506
   94    H    GLU  12           H        GLU  12   2.045  -8.086  -1.550
   95    HA   GLU  12           HA       GLU  12   0.151  -6.097  -2.117
   96   1HB   GLU  12          2HB       GLU  12   1.202  -4.072  -1.634
   97   2HB   GLU  12          1HB       GLU  12   1.508  -5.037  -0.193
   98   1HG   GLU  12          2HG       GLU  12   3.653  -5.659  -1.820
   99   2HG   GLU  12          1HG       GLU  12   3.391  -3.945  -2.145
  100    H    ASP  13           H        ASP  13   0.413  -5.248  -4.182
  101    HA   ASP  13           HA       ASP  13   2.498  -6.561  -5.787
  102   1HB   ASP  13          2HB       ASP  13   0.999  -5.704  -7.697
  103   2HB   ASP  13          1HB       ASP  13   0.383  -7.019  -6.697
  104    H    CYS  14           H        CYS  14   3.227  -4.350  -4.161
  105    HA   CYS  14           HA       CYS  14   4.212  -2.267  -4.227
  106   1HB   CYS  14          2HB       CYS  14   4.901  -3.170  -7.027
  107   2HB   CYS  14          1HB       CYS  14   5.736  -1.937  -6.093
  108    H    CYS  15           H        CYS  15   4.530  -0.285  -5.865
  109    HA   CYS  15           HA       CYS  15   1.800   0.476  -6.612
  110   1HB   CYS  15          2HB       CYS  15   4.319   2.011  -6.037
  111   2HB   CYS  15          1HB       CYS  15   2.931   2.774  -6.798
  112    H    CYS  16           H        CYS  16   1.431  -0.335  -8.609
  113    HA   CYS  16           HA       CYS  16   2.997  -0.883 -10.703
  114   1HB   CYS  16          2HB       CYS  16   1.118  -0.131 -12.207
  115   2HB   CYS  16          1HB       CYS  16   0.683  -1.251 -10.932
  116    HA   PRO  17           HA       PRO  17   3.083  -0.786 -12.871
  117   1HB   PRO  17          2HB       PRO  17   5.315  -0.694 -14.398
  118   2HB   PRO  17          1HB       PRO  17   3.798   0.106 -14.844
  119   1HG   PRO  17          2HG       PRO  17   6.296   1.270 -13.756
  120   2HG   PRO  17          1HG       PRO  17   5.113   1.972 -14.872
  121   1HD   PRO  17          2HD       PRO  17   5.303   2.549 -12.160
  122   2HD   PRO  17          1HD       PRO  17   3.885   2.859 -13.181
  123    H    MET  18           H        MET  18   5.102   0.259 -10.523
  124    HA   MET  18           HA       MET  18   7.252  -1.537 -10.478
  125   1HB   MET  18          2HB       MET  18   5.741  -0.182  -8.247
  126   2HB   MET  18          1HB       MET  18   7.245  -1.067  -8.023
  127   1HG   MET  18          2HG       MET  18   8.485   0.621  -8.840
  128   2HG   MET  18          1HG       MET  18   7.386   0.884 -10.187
  129   1HE   MET  18          3HE       MET  18   6.069   0.763  -6.602
  130   2HE   MET  18          2HE       MET  18   7.642   1.454  -6.208
  131   3HE   MET  18          1HE       MET  18   6.185   2.429  -6.020
  132    H    LYS  19           H        LYS  19   7.437  -3.621  -9.928
  133    HA   LYS  19           HA       LYS  19   5.256  -4.955  -8.489
  134   1HB   LYS  19          2HB       LYS  19   4.918  -5.211 -10.975
  135   2HB   LYS  19          1HB       LYS  19   6.440  -6.098 -11.017
  136   1HG   LYS  19          2HG       LYS  19   5.129  -7.361  -8.979
  137   2HG   LYS  19          1HG       LYS  19   3.793  -6.937 -10.047
  138   1HD   LYS  19          2HD       LYS  19   6.009  -7.967 -11.578
  139   2HD   LYS  19          1HD       LYS  19   5.564  -9.103 -10.307
  140   1HE   LYS  19          2HE       LYS  19   3.359  -7.882 -11.888
  141   2HE   LYS  19          1HE       LYS  19   4.361  -9.088 -12.691
  142   1HZ   LYS  19          3HZ       LYS  19   3.012  -9.499 -10.081
  143   2HZ   LYS  19          2HZ       LYS  19   2.393 -10.020 -11.574
  144   3HZ   LYS  19          1HZ       LYS  19   3.851 -10.662 -10.985
  145    H    CYS  20           H        CYS  20   5.905  -6.764  -7.320
  146    HA   CYS  20           HA       CYS  20   8.456  -6.773  -6.231
  147   1HB   CYS  20          2HB       CYS  20   6.335  -7.919  -5.385
  148   2HB   CYS  20          1HB       CYS  20   6.753  -9.245  -6.462
  149    H    VAL  21           H        VAL  21  10.209  -6.886  -7.499
  150    HA   VAL  21           HA       VAL  21  10.400  -9.060  -9.483
  151    HB   VAL  21           HB       VAL  21  11.927  -6.470  -9.244
  152   1HG1  VAL  21          1HG1      VAL  21  12.171  -8.766 -11.173
  153   2HG1  VAL  21          3HG1      VAL  21  12.735  -7.140 -11.562
  154   3HG1  VAL  21          2HG1      VAL  21  13.434  -8.012 -10.196
  155   1HG2  VAL  21          2HG2      VAL  21   9.390  -6.966 -10.282
  156   2HG2  VAL  21          1HG2      VAL  21  10.395  -5.547 -10.588
  157   3HG2  VAL  21          3HG2      VAL  21  10.446  -6.920 -11.696
  158    H    TYR  22           H        TYR  22  12.654  -9.925  -9.769
  159    HA   TYR  22           HA       TYR  22  13.860 -10.433  -7.129
  160   1HB   TYR  22          2HB       TYR  22  12.929 -12.350  -8.470
  161   2HB   TYR  22          1HB       TYR  22  14.170 -12.027  -9.674
  162    HD1  TYR  22           HD1      TYR  22  16.622 -12.030  -8.827
  163    HD2  TYR  22           HD2      TYR  22  13.362 -13.783  -6.705
  164    HE1  TYR  22           HE1      TYR  22  18.201 -13.436  -7.560
  165    HE2  TYR  22           HE2      TYR  22  14.943 -15.188  -5.439
  166    HH   TYR  22           HH       TYR  22  18.419 -15.119  -6.116
  167    H    ALA  23           H        ALA  23  16.194 -10.613  -7.034
  168    HA   ALA  23           HA       ALA  23  17.529  -8.883  -9.020
  169   1HB   ALA  23          1HB       ALA  23  17.826  -9.140  -6.049
  170   2HB   ALA  23          3HB       ALA  23  19.191  -8.588  -7.023
  171   3HB   ALA  23          2HB       ALA  23  17.675  -7.683  -7.037
  172    H    TRP  24           H        TRP  24  19.388 -10.528  -6.613
  173    HA   TRP  24           HA       TRP  24  19.984 -12.827  -8.263
  174   1HB   TRP  24          2HB       TRP  24  22.534 -12.053  -7.948
  175   2HB   TRP  24          1HB       TRP  24  21.596 -11.718  -9.396
  176    HD1  TRP  24           HD1      TRP  24  20.228  -9.145  -9.205
  177    HE1  TRP  24           HE1      TRP  24  21.288  -6.963  -8.411
  178    HE3  TRP  24           HE3      TRP  24  24.235 -10.989  -6.603
  179    HZ2  TRP  24           HZ2      TRP  24  23.493  -6.095  -6.909
  180    HZ3  TRP  24           HZ3      TRP  24  25.787  -9.420  -5.513
  181    HH2  TRP  24           HH2      TRP  24  25.421  -6.992  -5.662
  182    H    TYR  25           H        TYR  25  21.998 -11.134  -5.904
  183    HA   TYR  25           HA       TYR  25  22.084 -13.501  -4.248
  184   1HB   TYR  25          2HB       TYR  25  23.963 -12.599  -3.301
  185   2HB   TYR  25          1HB       TYR  25  24.008 -11.828  -4.876
  186    HD1  TYR  25           HD1      TYR  25  22.400  -9.586  -4.865
  187    HD2  TYR  25           HD2      TYR  25  24.530 -11.231  -1.551
  188    HE1  TYR  25           HE1      TYR  25  22.404  -7.379  -3.769
  189    HE2  TYR  25           HE2      TYR  25  24.531  -9.022  -0.459
  190    HH   TYR  25           HH       TYR  25  22.624  -6.408  -1.580
  191    H    ASN  26           H        ASN  26  19.739 -11.462  -4.576
  192    HA   ASN  26           HA       ASN  26  19.075 -11.402  -1.713
  193   1HB   ASN  26          2HB       ASN  26  19.307  -9.086  -3.558
  194   2HB   ASN  26          1HB       ASN  26  17.931  -9.098  -2.454
  195   1HD2  ASN  26          2HD2      ASN  26  21.277  -7.729  -1.046
  196   2HD2  ASN  26          1HD2      ASN  26  20.673  -7.658  -2.663
  197    H    GLU  27           H        GLU  27  17.755 -13.221  -2.267
  198    HA   GLU  27           HA       GLU  27  15.783 -13.260  -4.256
  199   1HB   GLU  27          2HB       GLU  27  16.338 -15.309  -3.199
  200   2HB   GLU  27          1HB       GLU  27  15.990 -14.660  -1.597
  201   1HG   GLU  27          2HG       GLU  27  13.607 -14.464  -2.204
  202   2HG   GLU  27          1HG       GLU  27  13.964 -15.138  -3.796
  203    H    GLN  28           H        GLN  28  15.962 -11.459  -1.367
  204    HA   GLN  28           HA       GLN  28  13.274 -11.191  -0.639
  205   1HB   GLN  28          2HB       GLN  28  14.057  -8.899   0.192
  206   2HB   GLN  28          1HB       GLN  28  14.856 -10.318   0.859
  207   1HG   GLN  28          2HG       GLN  28  16.250  -9.549  -1.505
  208   2HG   GLN  28          1HG       GLN  28  16.023  -8.109  -0.511
  209   1HE2  GLN  28          2HE2      GLN  28  18.310  -9.049   1.933
  210   2HE2  GLN  28          1HE2      GLN  28  17.181  -7.887   1.333
  211    H    GLY  29           H        GLY  29  14.919 -10.161  -3.433
  212   1HA   GLY  29          2HA       GLY  29  14.388  -8.766  -5.188
  213   2HA   GLY  29          1HA       GLY  29  12.751  -9.357  -4.900
  214    H    SER  30           H        SER  30  12.636  -6.990  -5.855
  215    HA   SER  30           HA       SER  30  11.757  -5.316  -3.666
  216   1HB   SER  30          2HB       SER  30  13.111  -3.356  -4.694
  217   2HB   SER  30          1HB       SER  30  13.906  -4.458  -3.580
  218    HG   SER  30           HG       SER  30  15.262  -4.384  -5.303
  219    H    CYS  31           H        CYS  31  10.618  -3.408  -4.432
  220    HA   CYS  31           HA       CYS  31   8.926  -4.004  -6.645
  221   1HB   CYS  31          2HB       CYS  31   9.248  -1.534  -4.942
  222   2HB   CYS  31          1HB       CYS  31   7.994  -1.734  -6.153
  223    H    GLN  32           H        GLN  32   9.444  -3.706  -8.710
  224    HA   GLN  32           HA       GLN  32  10.736  -1.232  -9.551
  225   1HB   GLN  32          2HB       GLN  32  11.974  -3.949  -9.844
  226   2HB   GLN  32          1HB       GLN  32  12.292  -2.687 -11.032
  227   1HG   GLN  32          2HG       GLN  32  13.151  -1.216  -9.297
  228   2HG   GLN  32          1HG       GLN  32  12.737  -2.397  -8.053
  229   1HE2  GLN  32          2HE2      GLN  32  15.518  -4.450  -8.599
  230   2HE2  GLN  32          1HE2      GLN  32  13.973  -4.266  -7.848
  231    H    SER  33           H        SER  33  10.016  -0.564 -11.501
  232    HA   SER  33           HA       SER  33   7.721  -1.534 -12.655
  233   1HB   SER  33          2HB       SER  33   8.457  -0.281 -14.699
  234   2HB   SER  33          1HB       SER  33   8.516   0.652 -13.210
  235    HG   SER  33           HG       SER  33  10.773   0.212 -13.136
  236    H    THR  34           H        THR  34   7.369  -2.634 -14.700
  237    HA   THR  34           HA       THR  34   9.527  -4.360 -15.626
  238    HB   THR  34           HB       THR  34   7.946  -6.315 -15.562
  239    HG1  THR  34           HG1      THR  34   5.978  -5.725 -15.070
  240   1HG2  THR  34          2HG2      THR  34   9.639  -5.289 -13.596
  241   2HG2  THR  34          1HG2      THR  34   8.178  -5.772 -12.732
  242   3HG2  THR  34          3HG2      THR  34   9.044  -6.947 -13.725
  243    H    ILE  35           H        ILE  35   9.208  -5.219 -17.710
  244    HA   ILE  35           HA       ILE  35   7.896  -3.534 -19.532
  245    HB   ILE  35           HB       ILE  35   8.936  -6.346 -19.781
  246   1HG1  ILE  35          2HG1      ILE  35  10.579  -4.581 -19.288
  247   2HG1  ILE  35          1HG1      ILE  35  10.810  -5.270 -20.891
  248   1HG2  ILE  35          3HG2      ILE  35   7.571  -4.587 -21.756
  249   2HG2  ILE  35          2HG2      ILE  35   8.938  -5.559 -22.304
  250   3HG2  ILE  35          1HG2      ILE  35   7.529  -6.343 -21.586
  251   1HD1  ILE  35          3HD1      ILE  35   9.266  -3.301 -21.660
  252   2HD1  ILE  35          2HD1      ILE  35   9.743  -2.576 -20.123
  253   3HD1  ILE  35          1HD1      ILE  35  10.970  -2.988 -21.323
  254    H    SER  36           H        SER  36   6.946  -6.605 -18.067
  255    HA   SER  36           HA       SER  36   4.580  -6.999 -19.571
  256   1HB   SER  36          2HB       SER  36   4.088  -8.704 -18.045
  257   2HB   SER  36          1HB       SER  36   5.845  -8.642 -18.033
  258    HG   SER  36           HG       SER  36   5.563  -8.391 -15.939
  259    H    ALA  37           H        ALA  37   5.416  -5.032 -16.842
  260    HA   ALA  37           HA       ALA  37   2.813  -4.493 -15.860
  261   1HB   ALA  37          3HB       ALA  37   5.498  -3.656 -15.307
  262   2HB   ALA  37          2HB       ALA  37   4.454  -2.236 -15.411
  263   3HB   ALA  37          1HB       ALA  37   4.069  -3.535 -14.280
  264    H    LEU  38           H        LEU  38   4.439  -3.573 -18.692
  265    HA   LEU  38           HA       LEU  38   3.376  -1.013 -19.174
  266   1HB   LEU  38          2HB       LEU  38   4.230  -3.199 -21.074
  267   2HB   LEU  38          1HB       LEU  38   3.851  -1.551 -21.561
  268    HG   LEU  38           HG       LEU  38   6.009  -2.366 -19.616
  269   1HD1  LEU  38          3HD1      LEU  38   6.348  -2.875 -22.096
  270   2HD1  LEU  38          2HD1      LEU  38   6.404  -1.125 -22.327
  271   3HD1  LEU  38          1HD1      LEU  38   7.595  -1.918 -21.293
  272   1HD2  LEU  38          1HD2      LEU  38   5.225   0.341 -20.712
  273   2HD2  LEU  38          3HD2      LEU  38   5.116  -0.195 -19.034
  274   3HD2  LEU  38          2HD2      LEU  38   6.696   0.020 -19.790
  275    H    TRP  39           H        TRP  39   2.141  -4.259 -19.674
  276    HA   TRP  39           HA       TRP  39  -0.095  -3.613 -21.274
  277   1HB   TRP  39          2HB       TRP  39  -0.204  -5.843 -19.293
  278   2HB   TRP  39          1HB       TRP  39  -0.756  -5.801 -20.962
  279    HD1  TRP  39           HD1      TRP  39   1.243  -8.094 -19.700
  280    HE1  TRP  39           HE1      TRP  39   3.487  -8.458 -20.864
  281    HE3  TRP  39           HE3      TRP  39   1.678  -3.656 -22.224
  282    HZ2  TRP  39           HZ2      TRP  39   5.225  -7.103 -22.600
  283    HZ3  TRP  39           HZ3      TRP  39   3.664  -3.257 -23.621
  284    HH2  TRP  39           HH2      TRP  39   5.424  -4.964 -23.810
  285    H    LYS  40           H        LYS  40   0.624  -3.184 -17.957
  286    HA   LYS  40           HA       LYS  40  -2.153  -2.324 -17.418
  287   1HB   LYS  40          2HB       LYS  40  -1.575  -2.844 -14.998
  288   2HB   LYS  40          1HB       LYS  40  -1.789  -4.235 -16.061
  289   1HG   LYS  40          2HG       LYS  40   0.715  -4.241 -16.385
  290   2HG   LYS  40          1HG       LYS  40   0.813  -3.030 -15.110
  291   1HD   LYS  40          2HD       LYS  40  -0.827  -5.214 -14.224
  292   2HD   LYS  40          1HD       LYS  40   0.705  -5.840 -14.829
  293   1HE   LYS  40          2HE       LYS  40   0.889  -3.449 -13.102
  294   2HE   LYS  40          1HE       LYS  40   0.342  -4.922 -12.308
  295   1HZ   LYS  40          2HZ       LYS  40   2.719  -4.965 -14.045
  296   2HZ   LYS  40          1HZ       LYS  40   2.845  -4.421 -12.440
  297   3HZ   LYS  40          3HZ       LYS  40   2.310  -5.999 -12.760
  298    H    LYS  41           H        LYS  41  -0.155  -0.710 -18.580
  299    HA   LYS  41           HA       LYS  41   1.524   0.847 -17.215
  300   1HB   LYS  41          2HB       LYS  41   0.309   1.150 -19.571
  301   2HB   LYS  41          1HB       LYS  41  -0.566   2.382 -18.664
  302   1HG   LYS  41          2HG       LYS  41   1.339   3.429 -19.694
  303   2HG   LYS  41          1HG       LYS  41   1.641   3.333 -17.961
  304   1HD   LYS  41          2HD       LYS  41   2.640   0.938 -19.016
  305   2HD   LYS  41          1HD       LYS  41   3.143   2.188 -20.151
  306   1HE   LYS  41          2HE       LYS  41   3.498   2.599 -17.201
  307   2HE   LYS  41          1HE       LYS  41   4.658   1.628 -18.103
  308   1HZ   LYS  41          1HZ       LYS  41   4.380   3.826 -19.646
  309   2HZ   LYS  41          3HZ       LYS  41   4.265   4.475 -18.084
  310   3HZ   LYS  41          2HZ       LYS  41   5.631   3.568 -18.526
  311    H    CYS  42           HN       CYS  42   1.431   1.463 -15.162
  312    HA   CYS  42           HA       CYS  42  -0.892   1.925 -13.654
  313   1HB   CYS  42          2HB       CYS  42   1.517   1.485 -12.872
  314   2HB   CYS  42          1HB       CYS  42   1.761   3.209 -13.076
   
  No H/Q in entry =         314
  Start of MODEL   13
    1   1H    CYS   1          3H        CYS   1   2.802  -1.428   1.027
    2   2H    CYS   1          2H        CYS   1   1.306  -1.477   0.222
    3   3H    CYS   1          1H        CYS   1   2.259  -2.880   0.339
    4    HA   CYS   1           HA       CYS   1   3.143  -2.397  -1.608
    5   1HB   CYS   1          2HB       CYS   1   1.051  -0.851  -1.772
    6   2HB   CYS   1          1HB       CYS   1   2.208   0.445  -1.515
    7    H    ALA   2           H        ALA   2   4.807  -0.895  -2.676
    8    HA   ALA   2           HA       ALA   2   6.339   0.714  -0.784
    9   1HB   ALA   2          1HB       ALA   2   7.285  -1.876  -1.969
   10   2HB   ALA   2          3HB       ALA   2   8.435  -0.594  -1.583
   11   3HB   ALA   2          2HB       ALA   2   7.431  -1.292  -0.310
   12    H    LYS   3           H        LYS   3   8.479   1.395  -2.057
   13    HA   LYS   3           HA       LYS   3   7.540   2.436  -4.652
   14   1HB   LYS   3          2HB       LYS   3   9.481   3.445  -2.595
   15   2HB   LYS   3          1HB       LYS   3   9.562   4.014  -4.260
   16   1HG   LYS   3          2HG       LYS   3   8.021   5.535  -3.671
   17   2HG   LYS   3          1HG       LYS   3   6.869   4.203  -3.650
   18   1HD   LYS   3          2HD       LYS   3   6.702   4.243  -1.406
   19   2HD   LYS   3          1HD       LYS   3   8.444   4.392  -1.194
   20   1HE   LYS   3          2HE       LYS   3   8.375   6.668  -1.098
   21   2HE   LYS   3          1HE       LYS   3   7.038   6.781  -2.240
   22   1HZ   LYS   3          2HZ       LYS   3   6.782   5.872   0.574
   23   2HZ   LYS   3          1HZ       LYS   3   6.439   7.445   0.033
   24   3HZ   LYS   3          3HZ       LYS   3   5.515   6.138  -0.527
   25    H    LYS   4           H        LYS   4   9.661   3.020  -6.030
   26    HA   LYS   4           HA       LYS   4  10.732   0.496  -6.836
   27   1HB   LYS   4          2HB       LYS   4  11.148   3.340  -7.692
   28   2HB   LYS   4          1HB       LYS   4  12.184   2.057  -8.312
   29   1HG   LYS   4          2HG       LYS   4  10.091   0.834  -9.003
   30   2HG   LYS   4          1HG       LYS   4   9.185   2.284  -8.580
   31   1HD   LYS   4          2HD       LYS   4  11.520   2.576 -10.409
   32   2HD   LYS   4          1HD       LYS   4  10.050   1.850 -11.055
   33   1HE   LYS   4          2HE       LYS   4  10.194   4.525  -9.652
   34   2HE   LYS   4          1HE       LYS   4  10.134   4.303 -11.398
   35   1HZ   LYS   4          1HZ       LYS   4   8.052   2.952  -9.913
   36   2HZ   LYS   4          3HZ       LYS   4   7.989   4.646  -9.844
   37   3HZ   LYS   4          2HZ       LYS   4   7.957   3.855 -11.348
   38    H    ARG   5           H        ARG   5  12.777  -0.316  -6.617
   39    HA   ARG   5           HA       ARG   5  14.955  -0.516  -5.870
   40   1HB   ARG   5          2HB       ARG   5  14.746   2.169  -4.540
   41   2HB   ARG   5          1HB       ARG   5  16.184   1.342  -5.135
   42   1HG   ARG   5          2HG       ARG   5  15.978   2.357  -7.114
   43   2HG   ARG   5          1HG       ARG   5  14.357   1.696  -7.310
   44   1HD   ARG   5          2HD       ARG   5  13.388   3.667  -6.816
   45   2HD   ARG   5          1HD       ARG   5  14.440   3.923  -5.423
   46    HE   ARG   5           HE       ARG   5  15.785   5.249  -6.761
   47   1HH1  ARG   5          1HH2      ARG   5  13.867   3.126  -8.742
   48   2HH1  ARG   5          2HH2      ARG   5  14.260   3.934 -10.222
   49   1HH2  ARG   5          2HH1      ARG   5  16.246   6.376  -8.699
   50   2HH2  ARG   5          1HH1      ARG   5  15.612   5.783 -10.198
   51    H    ASN   6           H        ASN   6  12.184  -0.123  -4.092
   52    HA   ASN   6           HA       ASN   6  13.430  -0.621  -1.490
   53   1HB   ASN   6          2HB       ASN   6  10.646   0.038  -2.407
   54   2HB   ASN   6          1HB       ASN   6  10.947  -0.590  -0.788
   55   1HD2  ASN   6          2HD2      ASN   6  11.686   3.260  -1.661
   56   2HD2  ASN   6          1HD2      ASN   6  10.934   2.152  -2.755
   57    H    TRP   7           H        TRP   7  13.732  -2.630  -0.779
   58    HA   TRP   7           HA       TRP   7  13.352  -4.967  -2.075
   59   1HB   TRP   7          2HB       TRP   7  13.281  -4.317   0.844
   60   2HB   TRP   7          1HB       TRP   7  13.045  -5.967   0.292
   61    HD1  TRP   7           HD1      TRP   7  15.250  -6.000  -2.063
   62    HE1  TRP   7           HE1      TRP   7  17.720  -5.964  -1.422
   63    HE3  TRP   7           HE3      TRP   7  14.908  -4.106   2.670
   64    HZ2  TRP   7           HZ2      TRP   7  19.339  -5.247   0.758
   65    HZ3  TRP   7           HZ3      TRP   7  16.962  -3.768   3.990
   66    HH2  TRP   7           HH2      TRP   7  19.161  -4.333   3.042
   67    H    CYS   8           H        CYS   8  11.785  -6.696  -1.903
   68    HA   CYS   8           HA       CYS   8   9.116  -5.813  -2.318
   69   1HB   CYS   8          2HB       CYS   8  10.374  -7.946  -3.166
   70   2HB   CYS   8          1HB       CYS   8   9.783  -8.656  -1.670
   71    H    GLY   9           H        GLY   9   8.815  -4.621  -0.309
   72   1HA   GLY   9          2HA       GLY   9   8.884  -5.468   2.273
   73   2HA   GLY   9          1HA       GLY   9   7.598  -4.434   1.648
   74    H    LYS  10           H        LYS  10   6.981  -6.096   3.686
   75    HA   LYS  10           HA       LYS  10   6.200  -8.667   3.381
   76   1HB   LYS  10          2HB       LYS  10   4.893  -6.343   4.730
   77   2HB   LYS  10          1HB       LYS  10   4.044  -7.886   4.665
   78   1HG   LYS  10          2HG       LYS  10   6.872  -7.583   5.683
   79   2HG   LYS  10          1HG       LYS  10   5.453  -7.523   6.726
   80   1HD   LYS  10          2HD       LYS  10   5.607  -9.839   4.895
   81   2HD   LYS  10          1HD       LYS  10   6.816  -9.794   6.175
   82   1HE   LYS  10          2HE       LYS  10   3.868  -9.428   6.697
   83   2HE   LYS  10          1HE       LYS  10   4.652 -11.005   6.725
   84   1HZ   LYS  10          3HZ       LYS  10   5.997  -8.991   8.283
   85   2HZ   LYS  10          2HZ       LYS  10   4.430  -9.348   8.832
   86   3HZ   LYS  10          1HZ       LYS  10   5.587 -10.585   8.689
   87    H    THR  11           H        THR  11   4.037  -5.951   2.553
   88    HA   THR  11           HA       THR  11   2.215  -7.589   1.096
   89    HB   THR  11           HB       THR  11   2.629  -4.602   1.173
   90    HG1  THR  11           HG1      THR  11   0.676  -6.292   2.358
   91   1HG2  THR  11          2HG2      THR  11   0.456  -6.230  -0.144
   92   2HG2  THR  11          1HG2      THR  11   0.332  -4.500   0.183
   93   3HG2  THR  11          3HG2      THR  11   1.571  -5.103  -0.921
   94    H    GLU  12           H        GLU  12   3.681  -8.721  -0.307
   95    HA   GLU  12           HA       GLU  12   5.506  -7.933  -2.093
   96   1HB   GLU  12          2HB       GLU  12   3.150  -9.725  -2.690
   97   2HB   GLU  12          1HB       GLU  12   4.597  -9.609  -3.689
   98   1HG   GLU  12          2HG       GLU  12   5.886 -10.763  -2.194
   99   2HG   GLU  12          1HG       GLU  12   5.009 -10.141  -0.796
  100    H    ASP  13           H        ASP  13   2.014  -7.695  -2.730
  101    HA   ASP  13           HA       ASP  13   1.865  -6.619  -5.189
  102   1HB   ASP  13          2HB       ASP  13   0.355  -6.059  -2.683
  103   2HB   ASP  13          1HB       ASP  13   0.058  -5.027  -4.082
  104    H    CYS  14           H        CYS  14   3.605  -5.386  -5.863
  105    HA   CYS  14           HA       CYS  14   4.528  -3.071  -4.435
  106   1HB   CYS  14          2HB       CYS  14   4.968  -4.066  -7.252
  107   2HB   CYS  14          1HB       CYS  14   5.683  -2.580  -6.646
  108    H    CYS  15           H        CYS  15   4.640  -0.956  -5.879
  109    HA   CYS  15           HA       CYS  15   1.843  -0.226  -6.331
  110   1HB   CYS  15          2HB       CYS  15   4.366   1.359  -5.914
  111   2HB   CYS  15          1HB       CYS  15   2.861   2.113  -6.417
  112    H    CYS  16           H        CYS  16   1.350  -0.983  -8.333
  113    HA   CYS  16           HA       CYS  16   2.715  -1.262 -10.606
  114   1HB   CYS  16          2HB       CYS  16   0.654  -0.596 -11.864
  115   2HB   CYS  16          1HB       CYS  16   0.401  -1.766 -10.586
  116    HA   PRO  17           HA       PRO  17   2.601  -1.008 -12.768
  117   1HB   PRO  17          2HB       PRO  17   4.708  -0.663 -14.432
  118   2HB   PRO  17          1HB       PRO  17   3.114   0.058 -14.716
  119   1HG   PRO  17          2HG       PRO  17   5.603   1.315 -13.706
  120   2HG   PRO  17          1HG       PRO  17   4.312   2.005 -14.706
  121   1HD   PRO  17          2HD       PRO  17   4.620   2.444 -11.988
  122   2HD   PRO  17          1HD       PRO  17   3.114   2.677 -12.896
  123    H    MET  18           H        MET  18   4.750   0.023 -10.514
  124    HA   MET  18           HA       MET  18   6.991  -1.630 -10.748
  125   1HB   MET  18          2HB       MET  18   5.575  -0.568  -8.304
  126   2HB   MET  18          1HB       MET  18   7.159  -1.334  -8.280
  127   1HG   MET  18          2HG       MET  18   8.191   0.493  -9.103
  128   2HG   MET  18          1HG       MET  18   6.906   0.813 -10.258
  129   1HE   MET  18          3HE       MET  18   6.080   0.227  -6.570
  130   2HE   MET  18          2HE       MET  18   7.655   0.972  -6.305
  131   3HE   MET  18          1HE       MET  18   6.190   1.826  -5.823
  132    H    LYS  19           H        LYS  19   7.379  -3.716 -10.296
  133    HA   LYS  19           HA       LYS  19   5.272  -5.315  -8.993
  134   1HB   LYS  19          2HB       LYS  19   5.779  -5.403 -11.705
  135   2HB   LYS  19          1HB       LYS  19   6.738  -6.741 -11.078
  136   1HG   LYS  19          2HG       LYS  19   4.502  -7.230  -9.727
  137   2HG   LYS  19          1HG       LYS  19   3.782  -6.351 -11.074
  138   1HD   LYS  19          2HD       LYS  19   5.083  -7.922 -12.603
  139   2HD   LYS  19          1HD       LYS  19   5.412  -8.887 -11.166
  140   1HE   LYS  19          2HE       LYS  19   3.482  -9.810 -12.272
  141   2HE   LYS  19          1HE       LYS  19   2.950  -9.042 -10.778
  142   1HZ   LYS  19          2HZ       LYS  19   2.798  -7.051 -12.617
  143   2HZ   LYS  19          1HZ       LYS  19   2.288  -8.414 -13.492
  144   3HZ   LYS  19          3HZ       LYS  19   1.494  -7.984 -12.056
  145    H    CYS  20           H        CYS  20   6.013  -7.041  -7.764
  146    HA   CYS  20           HA       CYS  20   8.525  -6.781  -6.541
  147   1HB   CYS  20          2HB       CYS  20   6.520  -7.937  -5.583
  148   2HB   CYS  20          1HB       CYS  20   6.846  -9.285  -6.664
  149    H    VAL  21           H        VAL  21  10.340  -6.920  -7.693
  150    HA   VAL  21           HA       VAL  21  10.675  -9.133  -9.606
  151    HB   VAL  21           HB       VAL  21  12.212  -6.562  -9.252
  152   1HG1  VAL  21          3HG1      VAL  21  12.587  -8.867 -11.152
  153   2HG1  VAL  21          2HG1      VAL  21  13.226  -7.253 -11.472
  154   3HG1  VAL  21          1HG1      VAL  21  13.768  -8.152 -10.053
  155   1HG2  VAL  21          2HG2      VAL  21  10.083  -7.476 -11.161
  156   2HG2  VAL  21          1HG2      VAL  21  10.193  -5.965 -10.256
  157   3HG2  VAL  21          3HG2      VAL  21  11.250  -6.243 -11.642
  158    H    TYR  22           H        TYR  22  12.919 -10.051  -9.693
  159    HA   TYR  22           HA       TYR  22  13.884 -10.552  -6.956
  160   1HB   TYR  22          2HB       TYR  22  13.023 -12.455  -8.372
  161   2HB   TYR  22          1HB       TYR  22  14.391 -12.184  -9.441
  162    HD1  TYR  22           HD2      TYR  22  16.739 -12.292  -8.383
  163    HD2  TYR  22           HD1      TYR  22  13.223 -13.831  -6.516
  164    HE1  TYR  22           HE2      TYR  22  18.130 -13.729  -6.942
  165    HE2  TYR  22           HE1      TYR  22  14.618 -15.267  -5.078
  166    HH   TYR  22           HH       TYR  22  16.700 -16.107  -4.779
  167    H    ALA  23           H        ALA  23  16.185 -10.782  -6.646
  168    HA   ALA  23           HA       ALA  23  17.736  -9.097  -8.507
  169   1HB   ALA  23          3HB       ALA  23  18.036  -9.511  -5.526
  170   2HB   ALA  23          2HB       ALA  23  19.185  -8.616  -6.523
  171   3HB   ALA  23          1HB       ALA  23  17.526  -8.035  -6.350
  172    H    TRP  24           H        TRP  24  19.368 -10.789  -5.980
  173    HA   TRP  24           HA       TRP  24  20.014 -13.116  -7.568
  174   1HB   TRP  24          2HB       TRP  24  22.557 -12.396  -7.108
  175   2HB   TRP  24          1HB       TRP  24  21.717 -12.055  -8.614
  176    HD1  TRP  24           HD1      TRP  24  20.408  -9.449  -8.542
  177    HE1  TRP  24           HE1      TRP  24  21.460  -7.285  -7.696
  178    HE3  TRP  24           HE3      TRP  24  24.187 -11.355  -5.655
  179    HZ2  TRP  24           HZ2      TRP  24  23.576  -6.449  -6.055
  180    HZ3  TRP  24           HZ3      TRP  24  25.695  -9.807  -4.475
  181    HH2  TRP  24           HH2      TRP  24  25.394  -7.375  -4.671
  182    H    TYR  25           H        TYR  25  21.851 -11.394  -5.081
  183    HA   TYR  25           HA       TYR  25  21.800 -13.747  -3.392
  184   1HB   TYR  25          2HB       TYR  25  23.646 -12.879  -2.364
  185   2HB   TYR  25          1HB       TYR  25  23.793 -12.097  -3.928
  186    HD1  TYR  25           HD1      TYR  25  22.483  -9.780  -4.089
  187    HD2  TYR  25           HD2      TYR  25  23.866 -11.583  -0.476
  188    HE1  TYR  25           HE1      TYR  25  22.452  -7.580  -2.976
  189    HE2  TYR  25           HE2      TYR  25  23.832  -9.382   0.633
  190    HH   TYR  25           HH       TYR  25  23.055  -6.432  -1.148
  191    H    ASN  26           H        ASN  26  19.480 -11.802  -3.918
  192    HA   ASN  26           HA       ASN  26  18.617 -11.623  -1.129
  193   1HB   ASN  26          2HB       ASN  26  19.145  -9.335  -2.926
  194   2HB   ASN  26          1HB       ASN  26  17.619  -9.285  -2.043
  195   1HD2  ASN  26          2HD2      ASN  26  20.827  -8.090  -0.171
  196   2HD2  ASN  26          1HD2      ASN  26  20.520  -8.065  -1.871
  197    H    GLU  27           H        GLU  27  17.201 -13.304  -1.629
  198    HA   GLU  27           HA       GLU  27  15.467 -13.440  -3.821
  199   1HB   GLU  27          2HB       GLU  27  15.768 -15.385  -2.489
  200   2HB   GLU  27          1HB       GLU  27  15.259 -14.545  -1.026
  201   1HG   GLU  27          2HG       GLU  27  12.992 -14.289  -1.999
  202   2HG   GLU  27          1HG       GLU  27  13.517 -15.209  -3.410
  203    H    GLN  28           H        GLN  28  15.338 -11.526  -0.938
  204    HA   GLN  28           HA       GLN  28  12.603 -10.978  -0.750
  205   1HB   GLN  28          2HB       GLN  28  13.264  -8.989   0.466
  206   2HB   GLN  28          1HB       GLN  28  14.289 -10.339   0.937
  207   1HG   GLN  28          2HG       GLN  28  16.083  -9.533  -0.473
  208   2HG   GLN  28          1HG       GLN  28  15.049  -8.261  -1.125
  209   1HE2  GLN  28          2HE2      GLN  28  17.252  -7.346   1.950
  210   2HE2  GLN  28          1HE2      GLN  28  17.573  -8.505   0.709
  211    H    GLY  29           H        GLY  29  14.849 -10.142  -3.163
  212   1HA   GLY  29          2HA       GLY  29  14.831  -8.662  -4.937
  213   2HA   GLY  29          1HA       GLY  29  13.145  -9.167  -5.041
  214    H    SER  30           H        SER  30  12.883  -6.947  -5.899
  215    HA   SER  30           HA       SER  30  12.000  -5.168  -3.790
  216   1HB   SER  30          2HB       SER  30  13.289  -3.242  -4.957
  217   2HB   SER  30          1HB       SER  30  14.139  -4.265  -3.806
  218    HG   SER  30           HG       SER  30  15.085  -5.356  -5.512
  219    H    CYS  31           H        CYS  31  10.880  -3.242  -4.718
  220    HA   CYS  31           HA       CYS  31   9.183  -4.070  -6.894
  221   1HB   CYS  31          2HB       CYS  31   9.327  -1.548  -5.246
  222   2HB   CYS  31          1HB       CYS  31   8.130  -1.825  -6.497
  223    H    GLN  32           H        GLN  32   9.650  -3.766  -8.974
  224    HA   GLN  32           HA       GLN  32  11.075  -1.324  -9.786
  225   1HB   GLN  32          2HB       GLN  32  11.887  -4.156 -10.363
  226   2HB   GLN  32          1HB       GLN  32  12.316  -2.848 -11.462
  227   1HG   GLN  32          2HG       GLN  32  14.035  -2.298 -10.142
  228   2HG   GLN  32          1HG       GLN  32  12.920  -2.005  -8.805
  229   1HE2  GLN  32          2HE2      GLN  32  15.460  -4.853  -8.260
  230   2HE2  GLN  32          1HE2      GLN  32  15.647  -3.349  -9.089
  231    H    SER  33           H        SER  33  10.337  -0.442 -11.639
  232    HA   SER  33           HA       SER  33   7.853  -1.265 -12.710
  233   1HB   SER  33          2HB       SER  33   8.536   0.443 -14.540
  234   2HB   SER  33          1HB       SER  33   8.269   1.014 -12.899
  235    HG   SER  33           HG       SER  33  10.226   1.826 -13.254
  236    H    THR  34           H        THR  34   7.614  -3.084 -13.835
  237    HA   THR  34           HA       THR  34   9.735  -4.017 -15.604
  238    HB   THR  34           HB       THR  34   8.719  -6.117 -15.542
  239    HG1  THR  34           HG1      THR  34   6.374  -4.934 -14.465
  240   1HG2  THR  34          3HG2      THR  34   9.316  -4.820 -13.183
  241   2HG2  THR  34          2HG2      THR  34   7.734  -5.537 -12.862
  242   3HG2  THR  34          1HG2      THR  34   9.078  -6.558 -13.375
  243    H    ILE  35           H        ILE  35   9.339  -4.564 -17.791
  244    HA   ILE  35           HA       ILE  35   7.798  -2.695 -19.234
  245    HB   ILE  35           HB       ILE  35   8.660  -5.345 -20.338
  246   1HG1  ILE  35          2HG1      ILE  35  10.730  -3.478 -20.740
  247   2HG1  ILE  35          1HG1      ILE  35  10.334  -3.414 -19.023
  248   1HG2  ILE  35          2HG2      ILE  35   8.452  -2.556 -21.470
  249   2HG2  ILE  35          1HG2      ILE  35   9.146  -3.930 -22.333
  250   3HG2  ILE  35          3HG2      ILE  35   7.444  -3.950 -21.866
  251   1HD1  ILE  35          1HD1      ILE  35  10.486  -5.928 -18.988
  252   2HD1  ILE  35          3HD1      ILE  35  11.108  -5.850 -20.637
  253   3HD1  ILE  35          2HD1      ILE  35  12.014  -5.107 -19.316
  254    H    SER  36           H        SER  36   7.158  -5.941 -18.090
  255    HA   SER  36           HA       SER  36   4.837  -6.479 -19.604
  256   1HB   SER  36          2HB       SER  36   4.403  -8.202 -17.972
  257   2HB   SER  36          1HB       SER  36   6.126  -8.169 -18.314
  258    HG   SER  36           HG       SER  36   4.974  -6.734 -16.149
  259    H    ALA  37           H        ALA  37   5.461  -4.588 -16.762
  260    HA   ALA  37           HA       ALA  37   2.831  -4.364 -15.761
  261   1HB   ALA  37          2HB       ALA  37   4.872  -3.734 -14.499
  262   2HB   ALA  37          1HB       ALA  37   5.086  -2.358 -15.581
  263   3HB   ALA  37          3HB       ALA  37   3.671  -2.442 -14.530
  264    H    LEU  38           H        LEU  38   4.310  -3.151 -18.568
  265    HA   LEU  38           HA       LEU  38   2.970  -0.711 -18.951
  266   1HB   LEU  38          2HB       LEU  38   4.083  -2.740 -20.883
  267   2HB   LEU  38          1HB       LEU  38   3.411  -1.197 -21.393
  268    HG   LEU  38           HG       LEU  38   5.787  -1.662 -19.599
  269   1HD1  LEU  38          2HD1      LEU  38   5.441  -0.503 -22.356
  270   2HD1  LEU  38          1HD1      LEU  38   6.893  -0.238 -21.388
  271   3HD1  LEU  38          3HD1      LEU  38   6.435  -1.875 -21.861
  272   1HD2  LEU  38          3HD2      LEU  38   4.254   0.859 -20.210
  273   2HD2  LEU  38          2HD2      LEU  38   4.690   0.196 -18.634
  274   3HD2  LEU  38          1HD2      LEU  38   5.936   0.887 -19.677
  275    H    TRP  39           H        TRP  39   2.063  -4.043 -19.572
  276    HA   TRP  39           HA       TRP  39  -0.215  -3.620 -21.157
  277   1HB   TRP  39          2HB       TRP  39  -0.171  -5.808 -19.128
  278   2HB   TRP  39          1HB       TRP  39  -0.705  -5.845 -20.803
  279    HD1  TRP  39           HD1      TRP  39   1.454  -7.942 -19.465
  280    HE1  TRP  39           HE1      TRP  39   3.732  -8.157 -20.600
  281    HE3  TRP  39           HE3      TRP  39   1.565  -3.548 -22.098
  282    HZ2  TRP  39           HZ2      TRP  39   5.377  -6.712 -22.354
  283    HZ3  TRP  39           HZ3      TRP  39   3.529  -3.028 -23.488
  284    HH2  TRP  39           HH2      TRP  39   5.420  -4.595 -23.618
  285    H    LYS  40           H        LYS  40   0.406  -3.036 -17.845
  286    HA   LYS  40           HA       LYS  40  -2.416  -2.289 -17.417
  287   1HB   LYS  40          2HB       LYS  40  -2.035  -2.944 -14.999
  288   2HB   LYS  40          1HB       LYS  40  -2.153  -4.277 -16.144
  289   1HG   LYS  40          2HG       LYS  40   0.401  -4.187 -16.265
  290   2HG   LYS  40          1HG       LYS  40   0.321  -3.149 -14.843
  291   1HD   LYS  40          2HD       LYS  40  -1.299  -5.208 -14.087
  292   2HD   LYS  40          1HD       LYS  40  -0.123  -6.051 -15.093
  293   1HE   LYS  40          2HE       LYS  40   1.131  -6.107 -13.219
  294   2HE   LYS  40          1HE       LYS  40   1.495  -4.428 -13.606
  295   1HZ   LYS  40          3HZ       LYS  40  -0.954  -4.911 -12.116
  296   2HZ   LYS  40          2HZ       LYS  40   0.499  -5.201 -11.283
  297   3HZ   LYS  40          1HZ       LYS  40   0.191  -3.670 -11.953
  298    H    LYS  41           H        LYS  41  -0.403  -0.600 -18.360
  299    HA   LYS  41           HA       LYS  41   1.217   0.858 -16.829
  300   1HB   LYS  41          2HB       LYS  41   0.181   1.331 -19.204
  301   2HB   LYS  41          1HB       LYS  41  -0.851   2.432 -18.294
  302   1HG   LYS  41          2HG       LYS  41   0.911   3.826 -18.836
  303   2HG   LYS  41          1HG       LYS  41   1.425   3.235 -17.258
  304   1HD   LYS  41          2HD       LYS  41   2.585   1.349 -18.662
  305   2HD   LYS  41          1HD       LYS  41   2.446   2.511 -19.980
  306   1HE   LYS  41          2HE       LYS  41   3.709   3.146 -17.310
  307   2HE   LYS  41          1HE       LYS  41   4.620   2.605 -18.717
  308   1HZ   LYS  41          1HZ       LYS  41   3.171   4.622 -19.730
  309   2HZ   LYS  41          3HZ       LYS  41   3.448   5.180 -18.152
  310   3HZ   LYS  41          2HZ       LYS  41   4.761   4.775 -19.150
  311    H    CYS  42           HN       CYS  42   0.932   1.069 -14.690
  312    HA   CYS  42           HA       CYS  42  -1.381   1.496 -13.244
  313   1HB   CYS  42          2HB       CYS  42   0.994   1.037 -12.430
  314   2HB   CYS  42          1HB       CYS  42   1.251   2.765 -12.536
   
  No H/Q in entry =         314
  Start of MODEL   14
    1   1H    CYS   1          1H        CYS   1   2.597  -0.987   1.230
    2   2H    CYS   1          3H        CYS   1   1.581   0.304   0.810
    3   3H    CYS   1          2H        CYS   1   1.130  -1.288   0.430
    4    HA   CYS   1           HA       CYS   1   2.662  -1.490  -1.260
    5   1HB   CYS   1          2HB       CYS   1   0.816   0.316  -1.583
    6   2HB   CYS   1          1HB       CYS   1   2.147   1.456  -1.455
    7    H    ALA   2           H        ALA   2   4.503  -0.425  -2.486
    8    HA   ALA   2           HA       ALA   2   6.332   1.070  -0.743
    9   1HB   ALA   2          1HB       ALA   2   6.583  -1.710  -1.316
   10   2HB   ALA   2          3HB       ALA   2   7.870  -0.856  -2.171
   11   3HB   ALA   2          2HB       ALA   2   7.697  -0.670  -0.424
   12    H    LYS   3           H        LYS   3   8.358   1.660  -2.074
   13    HA   LYS   3           HA       LYS   3   7.433   2.605  -4.709
   14   1HB   LYS   3          2HB       LYS   3   9.421   3.650  -2.715
   15   2HB   LYS   3          1HB       LYS   3   9.506   4.137  -4.406
   16   1HG   LYS   3          2HG       LYS   3   8.186   5.800  -3.412
   17   2HG   LYS   3          1HG       LYS   3   7.010   4.722  -4.161
   18   1HD   LYS   3          2HD       LYS   3   6.018   4.715  -2.137
   19   2HD   LYS   3          1HD       LYS   3   7.303   3.599  -1.679
   20   1HE   LYS   3          2HE       LYS   3   7.966   5.072  -0.136
   21   2HE   LYS   3          1HE       LYS   3   8.397   6.181  -1.435
   22   1HZ   LYS   3          3HZ       LYS   3   5.806   6.623  -1.326
   23   2HZ   LYS   3          2HZ       LYS   3   6.045   6.147   0.287
   24   3HZ   LYS   3          1HZ       LYS   3   6.910   7.463  -0.351
   25    H    LYS   4           H        LYS   4   9.600   3.073  -6.097
   26    HA   LYS   4           HA       LYS   4  10.544   0.491  -6.842
   27   1HB   LYS   4          2HB       LYS   4  11.403   3.261  -7.682
   28   2HB   LYS   4          1HB       LYS   4  11.994   1.775  -8.421
   29   1HG   LYS   4          2HG       LYS   4  10.044   1.394  -9.526
   30   2HG   LYS   4          1HG       LYS   4   9.055   2.028  -8.213
   31   1HD   LYS   4          2HD       LYS   4   9.382   4.264  -8.902
   32   2HD   LYS   4          1HD       LYS   4  10.733   3.829  -9.946
   33   1HE   LYS   4          2HE       LYS   4   8.017   2.678 -10.470
   34   2HE   LYS   4          1HE       LYS   4   8.387   4.319 -10.993
   35   1HZ   LYS   4          3HZ       LYS   4  10.146   2.042 -11.661
   36   2HZ   LYS   4          2HZ       LYS   4   8.805   2.444 -12.624
   37   3HZ   LYS   4          1HZ       LYS   4  10.063   3.565 -12.401
   38    H    ARG   5           H        ARG   5  12.512  -0.464  -6.543
   39    HA   ARG   5           HA       ARG   5  14.624  -0.850  -5.705
   40   1HB   ARG   5          2HB       ARG   5  14.689   1.944  -4.599
   41   2HB   ARG   5          1HB       ARG   5  16.035   0.926  -5.107
   42   1HG   ARG   5          2HG       ARG   5  15.970   1.921  -7.106
   43   2HG   ARG   5          1HG       ARG   5  14.379   1.210  -7.367
   44   1HD   ARG   5          2HD       ARG   5  13.324   3.178  -7.037
   45   2HD   ARG   5          1HD       ARG   5  14.336   3.593  -5.656
   46    HE   ARG   5           HE       ARG   5  14.844   4.263  -8.455
   47   1HH1  ARG   5          1HH2      ARG   5  16.098   3.985  -5.216
   48   2HH1  ARG   5          2HH2      ARG   5  17.312   5.200  -5.441
   49   1HH2  ARG   5          2HH1      ARG   5  16.396   5.919  -8.738
   50   2HH2  ARG   5          1HH1      ARG   5  17.482   6.297  -7.442
   51    H    ASN   6           H        ASN   6  11.927  -0.721  -4.163
   52    HA   ASN   6           HA       ASN   6  12.979  -0.675  -1.419
   53   1HB   ASN   6          2HB       ASN   6  10.195  -0.596  -2.567
   54   2HB   ASN   6          1HB       ASN   6  10.518  -0.831  -0.853
   55   1HD2  ASN   6          2HD2      ASN   6  11.406   2.770  -2.609
   56   2HD2  ASN   6          1HD2      ASN   6  11.349   1.318  -3.545
   57    H    TRP   7           H        TRP   7  13.591  -2.561  -0.588
   58    HA   TRP   7           HA       TRP   7  13.478  -5.048  -1.649
   59   1HB   TRP   7          2HB       TRP   7  13.573  -4.036   1.129
   60   2HB   TRP   7          1HB       TRP   7  13.226  -5.745   0.910
   61    HD1  TRP   7           HD1      TRP   7  15.233  -5.866  -1.804
   62    HE1  TRP   7           HE1      TRP   7  17.737  -6.023  -1.321
   63    HE3  TRP   7           HE3      TRP   7  15.307  -4.194   3.018
   64    HZ2  TRP   7           HZ2      TRP   7  19.529  -5.522   0.784
   65    HZ3  TRP   7           HZ3      TRP   7  17.454  -4.054   4.222
   66    HH2  TRP   7           HH2      TRP   7  19.550  -4.712   3.115
   67    H    CYS   8           H        CYS   8  12.040  -6.677  -1.892
   68    HA   CYS   8           HA       CYS   8   9.239  -6.116  -1.183
   69   1HB   CYS   8          2HB       CYS   8   9.437  -6.518  -3.495
   70   2HB   CYS   8          1HB       CYS   8  10.550  -7.857  -3.254
   71    H    GLY   9           H        GLY   9   7.946  -7.746  -0.231
   72   1HA   GLY   9          2HA       GLY   9   9.487  -9.764   1.289
   73   2HA   GLY   9          1HA       GLY   9   8.036  -8.964   1.892
   74    H    LYS  10           H        LYS  10   6.020  -9.362   0.685
   75    HA   LYS  10           HA       LYS  10   5.711 -11.431  -1.199
   76   1HB   LYS  10          2HB       LYS  10   4.677 -13.142   0.295
   77   2HB   LYS  10          1HB       LYS  10   6.413 -12.949   0.528
   78   1HG   LYS  10          2HG       LYS  10   6.063 -11.631   2.512
   79   2HG   LYS  10          1HG       LYS  10   4.325 -11.576   2.228
   80   1HD   LYS  10          2HD       LYS  10   4.040 -13.507   3.316
   81   2HD   LYS  10          1HD       LYS  10   5.214 -14.311   2.277
   82   1HE   LYS  10          2HE       LYS  10   5.916 -12.640   4.698
   83   2HE   LYS  10          1HE       LYS  10   5.815 -14.399   4.690
   84   1HZ   LYS  10          3HZ       LYS  10   7.445 -13.807   2.586
   85   2HZ   LYS  10          2HZ       LYS  10   7.915 -12.692   3.780
   86   3HZ   LYS  10          1HZ       LYS  10   7.941 -14.358   4.112
   87    H    THR  11           H        THR  11   4.339  -9.704   1.547
   88    HA   THR  11           HA       THR  11   1.739  -9.608   0.147
   89    HB   THR  11           HB       THR  11   1.735 -10.665   2.394
   90    HG1  THR  11           HG1      THR  11  -0.151  -9.751   2.830
   91   1HG2  THR  11          2HG2      THR  11   3.565  -9.065   3.239
   92   2HG2  THR  11          1HG2      THR  11   2.243  -7.934   3.536
   93   3HG2  THR  11          3HG2      THR  11   2.266  -9.499   4.353
   94    H    GLU  12           H        GLU  12   0.509  -7.513   1.003
   95    HA   GLU  12           HA       GLU  12   0.449  -5.201   1.253
   96   1HB   GLU  12          2HB       GLU  12   2.993  -5.704   2.093
   97   2HB   GLU  12          1HB       GLU  12   3.289  -4.722   0.660
   98   1HG   GLU  12          2HG       GLU  12   2.800  -2.890   1.845
   99   2HG   GLU  12          1HG       GLU  12   1.161  -3.500   2.080
  100    H    ASP  13           H        ASP  13   2.682  -6.513  -1.171
  101    HA   ASP  13           HA       ASP  13   2.666  -6.325  -3.465
  102   1HB   ASP  13          2HB       ASP  13   0.326  -4.455  -3.337
  103   2HB   ASP  13          1HB       ASP  13   0.748  -5.628  -4.586
  104    H    CYS  14           H        CYS  14   3.137  -4.712  -5.137
  105    HA   CYS  14           HA       CYS  14   4.427  -2.345  -3.957
  106   1HB   CYS  14          2HB       CYS  14   4.737  -3.615  -6.683
  107   2HB   CYS  14          1HB       CYS  14   5.638  -2.222  -6.102
  108    H    CYS  15           H        CYS  15   4.497  -0.454  -5.616
  109    HA   CYS  15           HA       CYS  15   1.704   0.206  -6.200
  110   1HB   CYS  15          2HB       CYS  15   4.214   1.824  -5.869
  111   2HB   CYS  15          1HB       CYS  15   2.753   2.524  -6.548
  112    H    CYS  16           H        CYS  16   1.215  -0.690  -8.138
  113    HA   CYS  16           HA       CYS  16   2.656  -1.253 -10.324
  114   1HB   CYS  16          2HB       CYS  16   0.642  -0.636 -11.710
  115   2HB   CYS  16          1HB       CYS  16   0.347  -1.721 -10.369
  116    HA   PRO  17           HA       PRO  17   2.554  -1.209 -12.492
  117   1HB   PRO  17          2HB       PRO  17   4.603  -1.050 -14.250
  118   2HB   PRO  17          1HB       PRO  17   3.013  -0.329 -14.543
  119   1HG   PRO  17          2HG       PRO  17   5.558   0.969 -13.778
  120   2HG   PRO  17          1HG       PRO  17   4.209   1.599 -14.737
  121   1HD   PRO  17          2HD       PRO  17   4.726   2.195 -12.059
  122   2HD   PRO  17          1HD       PRO  17   3.201   2.484 -12.914
  123    H    MET  18           H        MET  18   4.688  -0.081 -10.332
  124    HA   MET  18           HA       MET  18   6.941  -1.752 -10.501
  125   1HB   MET  18          2HB       MET  18   5.577  -0.449  -8.151
  126   2HB   MET  18          1HB       MET  18   7.128  -1.271  -8.047
  127   1HG   MET  18          2HG       MET  18   8.224   0.461  -8.966
  128   2HG   MET  18          1HG       MET  18   7.017   0.658 -10.230
  129   1HE   MET  18          3HE       MET  18   5.974   0.528  -6.559
  130   2HE   MET  18          2HE       MET  18   7.531   1.306  -6.277
  131   3HE   MET  18          1HE       MET  18   6.042   2.208  -6.006
  132    H    LYS  19           H        LYS  19   7.186  -3.855 -10.151
  133    HA   LYS  19           HA       LYS  19   5.196  -5.287  -8.507
  134   1HB   LYS  19          2HB       LYS  19   5.012  -7.040 -10.066
  135   2HB   LYS  19          1HB       LYS  19   4.897  -5.572 -11.033
  136   1HG   LYS  19          2HG       LYS  19   6.494  -6.539 -12.303
  137   2HG   LYS  19          1HG       LYS  19   7.593  -6.005 -11.034
  138   1HD   LYS  19          2HD       LYS  19   8.153  -8.234 -11.143
  139   2HD   LYS  19          1HD       LYS  19   6.887  -8.295  -9.919
  140   1HE   LYS  19          2HE       LYS  19   6.387 -10.042 -11.437
  141   2HE   LYS  19          1HE       LYS  19   5.260  -8.745 -11.824
  142   1HZ   LYS  19          2HZ       LYS  19   7.157  -8.087 -13.473
  143   2HZ   LYS  19          1HZ       LYS  19   7.563  -9.731 -13.340
  144   3HZ   LYS  19          3HZ       LYS  19   6.021  -9.281 -13.884
  145    H    CYS  20           H        CYS  20   6.014  -6.912  -7.223
  146    HA   CYS  20           HA       CYS  20   8.592  -6.751  -6.258
  147   1HB   CYS  20          2HB       CYS  20   6.528  -8.911  -6.225
  148   2HB   CYS  20          1HB       CYS  20   8.143  -9.261  -5.623
  149    H    VAL  21           H        VAL  21  10.377  -6.895  -7.423
  150    HA   VAL  21           HA       VAL  21  10.592  -8.944  -9.526
  151    HB   VAL  21           HB       VAL  21  12.304  -6.512  -9.008
  152   1HG1  VAL  21          2HG1      VAL  21  12.379  -8.702 -11.028
  153   2HG1  VAL  21          1HG1      VAL  21  12.835  -7.073 -11.528
  154   3HG1  VAL  21          3HG1      VAL  21  13.705  -7.869 -10.215
  155   1HG2  VAL  21          3HG2      VAL  21   9.838  -6.957 -10.612
  156   2HG2  VAL  21          2HG2      VAL  21  10.392  -5.510  -9.764
  157   3HG2  VAL  21          1HG2      VAL  21  11.100  -5.947 -11.321
  158    H    TYR  22           H        TYR  22  12.706 -10.014  -9.740
  159    HA   TYR  22           HA       TYR  22  13.842 -10.626  -7.086
  160   1HB   TYR  22          2HB       TYR  22  12.666 -12.407  -8.542
  161   2HB   TYR  22          1HB       TYR  22  14.119 -12.346  -9.531
  162    HD1  TYR  22           HD1      TYR  22  16.371 -12.421  -8.025
  163    HD2  TYR  22           HD2      TYR  22  12.575 -14.050  -6.952
  164    HE1  TYR  22           HE1      TYR  22  17.476 -13.980  -6.468
  165    HE2  TYR  22           HE2      TYR  22  13.684 -15.607  -5.396
  166    HH   TYR  22           HH       TYR  22  16.793 -15.258  -4.345
  167    H    ALA  23           H        ALA  23  16.002 -10.468  -6.746
  168    HA   ALA  23           HA       ALA  23  17.579  -9.199  -8.874
  169   1HB   ALA  23          1HB       ALA  23  17.978  -9.391  -5.884
  170   2HB   ALA  23          3HB       ALA  23  19.161  -8.680  -6.986
  171   3HB   ALA  23          2HB       ALA  23  17.559  -7.955  -6.822
  172    H    TRP  24           H        TRP  24  19.377 -10.703  -6.375
  173    HA   TRP  24           HA       TRP  24  19.744 -13.232  -7.713
  174   1HB   TRP  24          2HB       TRP  24  22.348 -12.573  -7.683
  175   2HB   TRP  24          1HB       TRP  24  21.325 -12.410  -9.102
  176    HD1  TRP  24           HD1      TRP  24  20.130  -9.777  -9.291
  177    HE1  TRP  24           HE1      TRP  24  21.322  -7.557  -8.885
  178    HE3  TRP  24           HE3      TRP  24  24.136 -11.397  -6.539
  179    HZ2  TRP  24           HZ2      TRP  24  23.616  -6.580  -7.602
  180    HZ3  TRP  24           HZ3      TRP  24  25.797  -9.759  -5.756
  181    HH2  TRP  24           HH2      TRP  24  25.543  -7.370  -6.282
  182    H    TYR  25           H        TYR  25  21.800 -11.185  -5.668
  183    HA   TYR  25           HA       TYR  25  22.096 -13.332  -3.756
  184   1HB   TYR  25          2HB       TYR  25  23.917 -12.192  -2.968
  185   2HB   TYR  25          1HB       TYR  25  23.876 -11.600  -4.618
  186    HD1  TYR  25           HD1      TYR  25  22.403  -9.423  -4.958
  187    HD2  TYR  25           HD2      TYR  25  24.105 -10.671  -1.249
  188    HE1  TYR  25           HE1      TYR  25  22.259  -7.112  -4.111
  189    HE2  TYR  25           HE2      TYR  25  23.959  -8.360  -0.405
  190    HH   TYR  25           HH       TYR  25  22.149  -6.159  -1.365
  191    H    ASN  26           H        ASN  26  19.603 -11.519  -4.265
  192    HA   ASN  26           HA       ASN  26  18.914 -11.250  -1.433
  193   1HB   ASN  26          2HB       ASN  26  19.232  -9.040  -3.356
  194   2HB   ASN  26          1HB       ASN  26  17.718  -9.026  -2.451
  195   1HD2  ASN  26          2HD2      ASN  26  20.874  -7.541  -0.708
  196   2HD2  ASN  26          1HD2      ASN  26  20.539  -7.629  -2.399
  197    H    GLU  27           H        GLU  27  17.597 -13.075  -1.806
  198    HA   GLU  27           HA       GLU  27  15.706 -13.346  -3.864
  199   1HB   GLU  27          2HB       GLU  27  16.453 -15.163  -2.325
  200   2HB   GLU  27          1HB       GLU  27  15.487 -14.422  -1.050
  201   1HG   GLU  27          2HG       GLU  27  13.500 -14.623  -2.635
  202   2HG   GLU  27          1HG       GLU  27  14.526 -15.658  -3.629
  203    H    GLN  28           H        GLN  28  15.731 -11.350  -1.068
  204    HA   GLN  28           HA       GLN  28  12.971 -11.024  -0.614
  205   1HB   GLN  28          2HB       GLN  28  13.599  -8.994   0.553
  206   2HB   GLN  28          1HB       GLN  28  14.736 -10.280   0.939
  207   1HG   GLN  28          2HG       GLN  28  16.294  -9.366  -0.767
  208   2HG   GLN  28          1HG       GLN  28  15.167  -8.036  -1.043
  209   1HE2  GLN  28          2HE2      GLN  28  15.645  -6.926   2.468
  210   2HE2  GLN  28          1HE2      GLN  28  14.324  -7.516   1.523
  211    H    GLY  29           H        GLY  29  14.890 -10.142  -3.250
  212   1HA   GLY  29          2HA       GLY  29  14.620  -8.717  -5.044
  213   2HA   GLY  29          1HA       GLY  29  12.931  -9.199  -4.899
  214    H    SER  30           H        SER  30  12.446  -7.052  -5.700
  215    HA   SER  30           HA       SER  30  11.771  -5.243  -3.613
  216   1HB   SER  30          2HB       SER  30  13.137  -3.324  -4.705
  217   2HB   SER  30          1HB       SER  30  13.918  -4.396  -3.553
  218    HG   SER  30           HG       SER  30  13.963  -4.756  -6.382
  219    H    CYS  31           H        CYS  31  10.547  -3.447  -4.362
  220    HA   CYS  31           HA       CYS  31   8.855  -4.041  -6.542
  221   1HB   CYS  31          2HB       CYS  31   9.251  -1.491  -4.982
  222   2HB   CYS  31          1HB       CYS  31   7.946  -1.768  -6.121
  223    H    GLN  32           H        GLN  32   9.425  -3.924  -8.604
  224    HA   GLN  32           HA       GLN  32  10.744  -1.506  -9.589
  225   1HB   GLN  32          2HB       GLN  32  11.804  -4.304  -9.984
  226   2HB   GLN  32          1HB       GLN  32  12.280  -2.935 -10.988
  227   1HG   GLN  32          2HG       GLN  32  13.406  -1.881  -9.252
  228   2HG   GLN  32          1HG       GLN  32  12.477  -2.716  -8.006
  229   1HE2  GLN  32          2HE2      GLN  32  15.992  -4.176  -9.192
  230   2HE2  GLN  32          1HE2      GLN  32  15.393  -2.606  -9.589
  231    H    SER  33           H        SER  33   9.854  -0.832 -11.432
  232    HA   SER  33           HA       SER  33   7.557  -1.979 -12.519
  233   1HB   SER  33          2HB       SER  33   7.668  -0.307 -14.159
  234   2HB   SER  33          1HB       SER  33   8.477   0.404 -12.768
  235    HG   SER  33           HG       SER  33  10.089   0.665 -14.122
  236    H    THR  34           H        THR  34   7.373  -2.632 -14.881
  237    HA   THR  34           HA       THR  34   9.651  -4.087 -15.936
  238    HB   THR  34           HB       THR  34   8.470  -6.201 -16.072
  239    HG1  THR  34           HG1      THR  34   6.467  -6.178 -14.605
  240   1HG2  THR  34          2HG2      THR  34   9.814  -5.590 -14.014
  241   2HG2  THR  34          1HG2      THR  34   8.277  -5.242 -13.220
  242   3HG2  THR  34          3HG2      THR  34   8.620  -6.873 -13.801
  243    H    ILE  35           H        ILE  35   9.308  -4.814 -18.136
  244    HA   ILE  35           HA       ILE  35   7.934  -2.956 -19.741
  245    HB   ILE  35           HB       ILE  35   8.636  -5.726 -20.649
  246   1HG1  ILE  35          2HG1      ILE  35  10.810  -3.944 -21.082
  247   2HG1  ILE  35          1HG1      ILE  35  10.398  -3.888 -19.370
  248   1HG2  ILE  35          2HG2      ILE  35   8.444  -3.011 -21.918
  249   2HG2  ILE  35          1HG2      ILE  35   9.357  -4.319 -22.674
  250   3HG2  ILE  35          3HG2      ILE  35   7.629  -4.509 -22.374
  251   1HD1  ILE  35          1HD1      ILE  35  10.435  -6.422 -19.398
  252   2HD1  ILE  35          3HD1      ILE  35  11.131  -6.313 -21.017
  253   3HD1  ILE  35          2HD1      ILE  35  12.000  -5.640 -19.635
  254    H    SER  36           H        SER  36   7.064  -6.158 -18.566
  255    HA   SER  36           HA       SER  36   4.701  -6.495 -20.078
  256   1HB   SER  36          2HB       SER  36   4.253  -8.311 -18.673
  257   2HB   SER  36          1HB       SER  36   6.007  -8.209 -18.657
  258    HG   SER  36           HG       SER  36   4.996  -8.412 -16.535
  259    H    ALA  37           H        ALA  37   5.489  -4.726 -17.199
  260    HA   ALA  37           HA       ALA  37   2.900  -4.311 -16.158
  261   1HB   ALA  37          3HB       ALA  37   5.332  -3.753 -15.236
  262   2HB   ALA  37          2HB       ALA  37   4.961  -2.172 -15.928
  263   3HB   ALA  37          1HB       ALA  37   3.910  -2.862 -14.689
  264    H    LEU  38           H        LEU  38   4.466  -3.133 -18.947
  265    HA   LEU  38           HA       LEU  38   3.256  -0.616 -19.277
  266   1HB   LEU  38          2HB       LEU  38   4.223  -2.637 -21.301
  267   2HB   LEU  38          1HB       LEU  38   3.742  -0.991 -21.696
  268    HG   LEU  38           HG       LEU  38   5.896  -1.681 -19.706
  269   1HD1  LEU  38          3HD1      LEU  38   6.445  -2.430 -22.025
  270   2HD1  LEU  38          2HD1      LEU  38   6.281  -0.754 -22.551
  271   3HD1  LEU  38          1HD1      LEU  38   7.533  -1.196 -21.389
  272   1HD2  LEU  38          1HD2      LEU  38   4.542   0.619 -19.872
  273   2HD2  LEU  38          3HD2      LEU  38   6.258   0.561 -19.467
  274   3HD2  LEU  38          2HD2      LEU  38   5.753   0.929 -21.118
  275    H    TRP  39           H        TRP  39   2.213  -3.882 -20.062
  276    HA   TRP  39           HA       TRP  39  -0.065  -3.245 -21.591
  277   1HB   TRP  39          2HB       TRP  39  -0.068  -5.614 -19.779
  278   2HB   TRP  39          1HB       TRP  39  -0.609  -5.480 -21.446
  279    HD1  TRP  39           HD1      TRP  39   1.482  -7.761 -20.332
  280    HE1  TRP  39           HE1      TRP  39   3.751  -7.938 -21.488
  281    HE3  TRP  39           HE3      TRP  39   1.739  -3.136 -22.522
  282    HZ2  TRP  39           HZ2      TRP  39   5.446  -6.384 -23.095
  283    HZ3  TRP  39           HZ3      TRP  39   3.720  -2.549 -23.860
  284    HH2  TRP  39           HH2      TRP  39   5.558  -4.156 -24.147
  285    H    LYS  40           H        LYS  40   0.629  -3.026 -18.246
  286    HA   LYS  40           HA       LYS  40  -2.147  -2.195 -17.693
  287   1HB   LYS  40          2HB       LYS  40  -1.882  -3.163 -15.413
  288   2HB   LYS  40          1HB       LYS  40  -1.881  -4.378 -16.690
  289   1HG   LYS  40          2HG       LYS  40   0.611  -4.369 -16.629
  290   2HG   LYS  40          1HG       LYS  40   0.539  -3.258 -15.264
  291   1HD   LYS  40          2HD       LYS  40  -0.975  -5.836 -15.131
  292   2HD   LYS  40          1HD       LYS  40   0.767  -5.846 -14.864
  293   1HE   LYS  40          2HE       LYS  40  -0.425  -3.694 -13.377
  294   2HE   LYS  40          1HE       LYS  40  -1.265  -5.199 -13.013
  295   1HZ   LYS  40          1HZ       LYS  40   1.685  -5.012 -12.992
  296   2HZ   LYS  40          3HZ       LYS  40   0.757  -4.627 -11.626
  297   3HZ   LYS  40          2HZ       LYS  40   0.695  -6.194 -12.278
  298    H    LYS  41           H        LYS  41  -0.007  -0.547 -18.471
  299    HA   LYS  41           HA       LYS  41   1.626   0.610 -16.640
  300   1HB   LYS  41          2HB       LYS  41   0.847   1.284 -19.131
  301   2HB   LYS  41          1HB       LYS  41   0.047   2.553 -18.208
  302   1HG   LYS  41          2HG       LYS  41   1.994   3.576 -17.703
  303   2HG   LYS  41          1HG       LYS  41   2.819   2.052 -17.384
  304   1HD   LYS  41          2HD       LYS  41   2.883   1.717 -19.905
  305   2HD   LYS  41          1HD       LYS  41   2.365   3.394 -20.048
  306   1HE   LYS  41          2HE       LYS  41   4.373   3.922 -18.507
  307   2HE   LYS  41          1HE       LYS  41   4.936   2.307 -18.930
  308   1HZ   LYS  41          3HZ       LYS  41   4.109   3.970 -21.154
  309   2HZ   LYS  41          2HZ       LYS  41   5.500   4.496 -20.333
  310   3HZ   LYS  41          1HZ       LYS  41   5.446   2.938 -21.006
  311    H    CYS  42           HN       CYS  42   1.231   1.055 -14.605
  312    HA   CYS  42           HA       CYS  42  -1.227   1.554 -13.390
  313   1HB   CYS  42          2HB       CYS  42   0.998   0.939 -12.347
  314   2HB   CYS  42          1HB       CYS  42   1.418   2.634 -12.449
   
  No H/Q in entry =         314
  Start of MODEL   15
    1   1H    CYS   1          1H        CYS   1   1.922   0.002   0.818
    2   2H    CYS   1          3H        CYS   1   1.113  -1.285   0.067
    3   3H    CYS   1          2H        CYS   1   2.641  -1.536   0.769
    4    HA   CYS   1           HA       CYS   1   2.900  -1.425  -1.592
    5   1HB   CYS   1          2HB       CYS   1   0.763   0.094  -1.725
    6   2HB   CYS   1          1HB       CYS   1   1.918   1.405  -1.551
    7    H    ALA   2           H        ALA   2   4.465   0.272  -2.702
    8    HA   ALA   2           HA       ALA   2   5.907   2.016  -0.942
    9   1HB   ALA   2          1HB       ALA   2   6.704  -0.189  -0.141
   10   2HB   ALA   2          3HB       ALA   2   7.272  -0.550  -1.771
   11   3HB   ALA   2          2HB       ALA   2   7.995   0.777  -0.858
   12    H    LYS   3           H        LYS   3   8.325   2.128  -2.165
   13    HA   LYS   3           HA       LYS   3   7.613   2.916  -4.919
   14   1HB   LYS   3          2HB       LYS   3   9.608   3.966  -2.930
   15   2HB   LYS   3          1HB       LYS   3   9.795   4.285  -4.651
   16   1HG   LYS   3          2HG       LYS   3   7.246   4.886  -3.157
   17   2HG   LYS   3          1HG       LYS   3   8.557   6.053  -3.303
   18   1HD   LYS   3          2HD       LYS   3   7.449   4.724  -5.752
   19   2HD   LYS   3          1HD       LYS   3   6.604   6.093  -5.033
   20   1HE   LYS   3          2HE       LYS   3   9.536   6.351  -5.503
   21   2HE   LYS   3          1HE       LYS   3   8.469   6.419  -6.902
   22   1HZ   LYS   3          3HZ       LYS   3   7.706   8.030  -4.602
   23   2HZ   LYS   3          2HZ       LYS   3   9.088   8.536  -5.451
   24   3HZ   LYS   3          1HZ       LYS   3   7.601   8.381  -6.258
   25    H    LYS   4           H        LYS   4  10.053   3.119  -6.071
   26    HA   LYS   4           HA       LYS   4  10.729   0.382  -6.593
   27   1HB   LYS   4          2HB       LYS   4  11.754   3.031  -7.574
   28   2HB   LYS   4          1HB       LYS   4  12.567   1.527  -7.999
   29   1HG   LYS   4          2HG       LYS   4  10.176   0.742  -8.694
   30   2HG   LYS   4          1HG       LYS   4   9.816   2.466  -8.735
   31   1HD   LYS   4          2HD       LYS   4  12.290   2.055 -10.084
   32   2HD   LYS   4          1HD       LYS   4  11.134   0.880 -10.705
   33   1HE   LYS   4          2HE       LYS   4   9.554   3.030 -10.719
   34   2HE   LYS   4          1HE       LYS   4  11.105   3.850 -10.872
   35   1HZ   LYS   4          3HZ       LYS   4  10.850   1.581 -12.606
   36   2HZ   LYS   4          2HZ       LYS   4   9.675   2.771 -12.902
   37   3HZ   LYS   4          1HZ       LYS   4  11.326   3.169 -12.961
   38    H    ARG   5           H        ARG   5  12.833  -0.559  -6.365
   39    HA   ARG   5           HA       ARG   5  14.843  -0.997  -5.327
   40   1HB   ARG   5          2HB       ARG   5  14.703   1.657  -3.931
   41   2HB   ARG   5          1HB       ARG   5  16.124   0.728  -4.400
   42   1HG   ARG   5          2HG       ARG   5  16.237   1.901  -6.296
   43   2HG   ARG   5          1HG       ARG   5  14.666   1.258  -6.769
   44   1HD   ARG   5          2HD       ARG   5  13.595   3.190  -6.271
   45   2HD   ARG   5          1HD       ARG   5  14.541   3.446  -4.806
   46    HE   ARG   5           HE       ARG   5  15.079   4.549  -7.403
   47   1HH1  ARG   5          1HH2      ARG   5  16.563   3.315  -4.506
   48   2HH1  ARG   5          2HH2      ARG   5  17.943   4.358  -4.607
   49   1HH2  ARG   5          2HH1      ARG   5  16.864   5.983  -7.510
   50   2HH2  ARG   5          1HH1      ARG   5  18.113   5.875  -6.315
   51    H    ASN   6           H        ASN   6  11.913  -0.675  -3.980
   52    HA   ASN   6           HA       ASN   6  12.676  -1.038  -1.191
   53   1HB   ASN   6          2HB       ASN   6  10.037  -0.858  -2.636
   54   2HB   ASN   6          1HB       ASN   6  10.162  -1.255  -0.925
   55   1HD2  ASN   6          2HD2      ASN   6  11.207   2.496  -2.220
   56   2HD2  ASN   6          1HD2      ASN   6  11.278   1.141  -3.288
   57    H    TRP   7           H        TRP   7  13.185  -2.985  -0.443
   58    HA   TRP   7           HA       TRP   7  13.198  -5.361  -1.786
   59   1HB   TRP   7          2HB       TRP   7  13.012  -4.698   1.117
   60   2HB   TRP   7          1HB       TRP   7  12.944  -6.375   0.594
   61    HD1  TRP   7           HD1      TRP   7  15.139  -6.095  -1.809
   62    HE1  TRP   7           HE1      TRP   7  17.596  -5.851  -1.153
   63    HE3  TRP   7           HE3      TRP   7  14.610  -4.476   3.005
   64    HZ2  TRP   7           HZ2      TRP   7  19.134  -5.087   1.070
   65    HZ3  TRP   7           HZ3      TRP   7  16.619  -4.003   4.353
   66    HH2  TRP   7           HH2      TRP   7  18.864  -4.306   3.394
   67    H    CYS   8           H        CYS   8  11.845  -7.097  -2.040
   68    HA   CYS   8           HA       CYS   8   8.986  -6.528  -1.781
   69   1HB   CYS   8          2HB       CYS   8  10.088  -7.356  -3.917
   70   2HB   CYS   8          1HB       CYS   8  10.280  -8.902  -3.106
   71    H    GLY   9           H        GLY   9  11.106  -9.348  -1.242
   72   1HA   GLY   9          2HA       GLY   9  11.007 -11.072   0.274
   73   2HA   GLY   9          1HA       GLY   9  10.414  -9.856   1.407
   74    H    LYS  10           H        LYS  10   9.182 -11.608  -1.448
   75    HA   LYS  10           HA       LYS  10   7.212 -12.720  -1.824
   76   1HB   LYS  10          2HB       LYS  10   8.040 -13.707   0.483
   77   2HB   LYS  10          1HB       LYS  10   6.635 -12.844   1.100
   78   1HG   LYS  10          2HG       LYS  10   5.772 -14.186  -1.224
   79   2HG   LYS  10          1HG       LYS  10   6.749 -15.343  -0.323
   80   1HD   LYS  10          2HD       LYS  10   4.899 -13.787   1.344
   81   2HD   LYS  10          1HD       LYS  10   4.101 -14.808   0.151
   82   1HE   LYS  10          2HE       LYS  10   5.826 -16.608   1.043
   83   2HE   LYS  10          1HE       LYS  10   5.816 -15.577   2.471
   84   1HZ   LYS  10          2HZ       LYS  10   3.190 -15.833   1.872
   85   2HZ   LYS  10          1HZ       LYS  10   3.802 -17.370   1.486
   86   3HZ   LYS  10          3HZ       LYS  10   4.023 -16.737   3.044
   87    H    THR  11           H        THR  11   4.889 -12.456  -1.735
   88    HA   THR  11           HA       THR  11   3.083 -11.052  -2.010
   89    HB   THR  11           HB       THR  11   2.389  -9.948   0.126
   90    HG1  THR  11           HG1      THR  11   3.828 -10.674   1.943
   91   1HG2  THR  11          2HG2      THR  11   3.204 -12.840   0.057
   92   2HG2  THR  11          1HG2      THR  11   2.382 -12.150   1.457
   93   3HG2  THR  11          3HG2      THR  11   1.594 -12.136  -0.122
   94    H    GLU  12           H        GLU  12   2.445  -8.561  -1.091
   95    HA   GLU  12           HA       GLU  12   2.760  -6.319  -1.451
   96   1HB   GLU  12          2HB       GLU  12   5.568  -7.277  -1.079
   97   2HB   GLU  12          1HB       GLU  12   5.288  -5.636  -1.657
   98   1HG   GLU  12          2HG       GLU  12   4.093  -6.807   0.864
   99   2HG   GLU  12          1HG       GLU  12   5.514  -5.762   0.813
  100    H    ASP  13           H        ASP  13   1.857  -6.048  -3.423
  101    HA   ASP  13           HA       ASP  13   3.177  -6.877  -5.856
  102   1HB   ASP  13          2HB       ASP  13   0.803  -7.024  -5.850
  103   2HB   ASP  13          1HB       ASP  13   0.634  -5.364  -5.277
  104    H    CYS  14           H        CYS  14   3.233  -4.137  -3.841
  105    HA   CYS  14           HA       CYS  14   4.496  -2.211  -3.986
  106   1HB   CYS  14          2HB       CYS  14   5.135  -2.972  -6.832
  107   2HB   CYS  14          1HB       CYS  14   6.025  -1.878  -5.780
  108    H    CYS  15           H        CYS  15   4.651  -0.225  -5.620
  109    HA   CYS  15           HA       CYS  15   1.871   0.416  -6.247
  110   1HB   CYS  15          2HB       CYS  15   4.365   2.085  -5.969
  111   2HB   CYS  15          1HB       CYS  15   2.819   2.747  -6.476
  112    H    CYS  16           H        CYS  16   1.361  -0.410  -8.192
  113    HA   CYS  16           HA       CYS  16   2.773  -0.981 -10.394
  114   1HB   CYS  16          2HB       CYS  16   0.757  -0.225 -11.751
  115   2HB   CYS  16          1HB       CYS  16   0.479  -1.411 -10.492
  116    HA   PRO  17           HA       PRO  17   2.675  -0.936 -12.549
  117   1HB   PRO  17          2HB       PRO  17   4.721  -0.803 -14.313
  118   2HB   PRO  17          1HB       PRO  17   3.135  -0.067 -14.601
  119   1HG   PRO  17          2HG       PRO  17   5.695   1.210 -13.853
  120   2HG   PRO  17          1HG       PRO  17   4.345   1.854 -14.800
  121   1HD   PRO  17          2HD       PRO  17   4.893   2.439 -12.123
  122   2HD   PRO  17          1HD       PRO  17   3.362   2.751 -12.967
  123    H    MET  18           H        MET  18   4.826   0.125 -10.373
  124    HA   MET  18           HA       MET  18   7.100  -1.467 -10.560
  125   1HB   MET  18          2HB       MET  18   5.566  -0.437  -8.184
  126   2HB   MET  18          1HB       MET  18   7.095  -1.292  -8.033
  127   1HG   MET  18          2HG       MET  18   8.045   0.427  -9.657
  128   2HG   MET  18          1HG       MET  18   6.564   1.339  -9.398
  129   1HE   MET  18          2HE       MET  18   5.698   0.869  -6.870
  130   2HE   MET  18          1HE       MET  18   6.776   0.741  -5.482
  131   3HE   MET  18          3HE       MET  18   6.285   2.332  -6.083
  132    H    LYS  19           H        LYS  19   7.289  -3.595 -10.670
  133    HA   LYS  19           HA       LYS  19   5.257  -5.279  -9.339
  134   1HB   LYS  19          2HB       LYS  19   5.347  -5.364 -11.862
  135   2HB   LYS  19          1HB       LYS  19   6.957  -6.062 -11.703
  136   1HG   LYS  19          2HG       LYS  19   5.055  -7.422  -9.993
  137   2HG   LYS  19          1HG       LYS  19   4.521  -7.434 -11.672
  138   1HD   LYS  19          2HD       LYS  19   7.129  -8.056 -12.006
  139   2HD   LYS  19          1HD       LYS  19   6.853  -8.751 -10.410
  140   1HE   LYS  19          2HE       LYS  19   4.753  -9.324 -12.397
  141   2HE   LYS  19          1HE       LYS  19   6.326 -10.028 -12.756
  142   1HZ   LYS  19          2HZ       LYS  19   4.934 -10.313 -10.153
  143   2HZ   LYS  19          1HZ       LYS  19   4.854 -11.460 -11.404
  144   3HZ   LYS  19          3HZ       LYS  19   6.340 -11.122 -10.659
  145    H    CYS  20           H        CYS  20   5.941  -7.011  -8.131
  146    HA   CYS  20           HA       CYS  20   8.374  -6.819  -6.758
  147   1HB   CYS  20          2HB       CYS  20   6.379  -8.008  -5.922
  148   2HB   CYS  20          1HB       CYS  20   6.617  -9.251  -7.140
  149    H    VAL  21           H        VAL  21  10.265  -6.896  -7.817
  150    HA   VAL  21           HA       VAL  21  10.704  -9.002  -9.832
  151    HB   VAL  21           HB       VAL  21  12.007  -6.351  -9.288
  152   1HG1  VAL  21          2HG1      VAL  21  13.071  -8.653 -10.905
  153   2HG1  VAL  21          1HG1      VAL  21  13.516  -6.981 -11.253
  154   3HG1  VAL  21          3HG1      VAL  21  13.899  -7.687  -9.682
  155   1HG2  VAL  21          3HG2      VAL  21  10.656  -7.584 -11.694
  156   2HG2  VAL  21          2HG2      VAL  21  10.046  -6.269 -10.687
  157   3HG2  VAL  21          1HG2      VAL  21  11.468  -6.017 -11.702
  158    H    TYR  22           H        TYR  22  12.747 -10.129  -9.816
  159    HA   TYR  22           HA       TYR  22  13.762 -10.580  -7.079
  160   1HB   TYR  22          2HB       TYR  22  12.713 -12.515  -8.156
  161   2HB   TYR  22          1HB       TYR  22  13.821 -12.370  -9.513
  162    HD1  TYR  22           HD2      TYR  22  16.341 -12.534  -8.980
  163    HD2  TYR  22           HD1      TYR  22  13.263 -13.822  -6.320
  164    HE1  TYR  22           HE2      TYR  22  17.962 -13.958  -7.789
  165    HE2  TYR  22           HE1      TYR  22  14.887 -15.245  -5.136
  166    HH   TYR  22           HH       TYR  22  17.266 -16.399  -5.948
  167    H    ALA  23           H        ALA  23  16.039 -10.953  -6.817
  168    HA   ALA  23           HA       ALA  23  17.691  -9.736  -8.943
  169   1HB   ALA  23          2HB       ALA  23  18.005  -9.487  -5.944
  170   2HB   ALA  23          1HB       ALA  23  19.161  -8.882  -7.133
  171   3HB   ALA  23          3HB       ALA  23  17.531  -8.206  -7.064
  172    H    TRP  24           H        TRP  24  19.278 -10.864  -6.108
  173    HA   TRP  24           HA       TRP  24  19.658 -13.578  -6.944
  174   1HB   TRP  24          2HB       TRP  24  22.264 -13.019  -7.073
  175   2HB   TRP  24          1HB       TRP  24  21.228 -13.052  -8.492
  176    HD1  TRP  24           HD1      TRP  24  20.207 -10.456  -9.194
  177    HE1  TRP  24           HE1      TRP  24  21.493  -8.253  -9.154
  178    HE3  TRP  24           HE3      TRP  24  24.061 -11.724  -6.069
  179    HZ2  TRP  24           HZ2      TRP  24  23.802  -7.162  -7.996
  180    HZ3  TRP  24           HZ3      TRP  24  25.783 -10.046  -5.541
  181    HH2  TRP  24           HH2      TRP  24  25.657  -7.783  -6.494
  182    H    TYR  25           H        TYR  25  22.033 -11.436  -5.447
  183    HA   TYR  25           HA       TYR  25  22.489 -13.073  -3.215
  184   1HB   TYR  25          2HB       TYR  25  23.908 -11.412  -2.468
  185   2HB   TYR  25          1HB       TYR  25  23.845 -11.064  -4.189
  186    HD1  TYR  25           HD2      TYR  25  22.309 -10.127  -0.933
  187    HD2  TYR  25           HD1      TYR  25  23.188  -8.949  -4.938
  188    HE1  TYR  25           HE2      TYR  25  21.529  -7.842  -0.434
  189    HE2  TYR  25           HE1      TYR  25  22.409  -6.667  -4.437
  190    HH   TYR  25           HH       TYR  25  21.677  -5.272  -2.874
  191    H    ASN  26           H        ASN  26  19.919 -10.983  -3.951
  192    HA   ASN  26           HA       ASN  26  18.887 -11.185  -1.201
  193   1HB   ASN  26          2HB       ASN  26  17.879  -8.973  -1.456
  194   2HB   ASN  26          1HB       ASN  26  19.629  -8.875  -1.657
  195   1HD2  ASN  26          2HD2      ASN  26  19.506  -8.146  -5.124
  196   2HD2  ASN  26          1HD2      ASN  26  20.454  -8.859  -3.869
  197    H    GLU  27           H        GLU  27  17.782 -13.058  -1.927
  198    HA   GLU  27           HA       GLU  27  16.113 -13.271  -4.149
  199   1HB   GLU  27          2HB       GLU  27  16.643 -15.236  -2.914
  200   2HB   GLU  27          1HB       GLU  27  15.972 -14.563  -1.430
  201   1HG   GLU  27          2HG       GLU  27  14.005 -14.571  -3.561
  202   2HG   GLU  27          1HG       GLU  27  14.649 -16.189  -3.279
  203    H    GLN  28           H        GLN  28  15.696 -11.481  -1.238
  204    HA   GLN  28           HA       GLN  28  12.904 -11.338  -1.053
  205   1HB   GLN  28          2HB       GLN  28  13.333  -9.174   0.109
  206   2HB   GLN  28          1HB       GLN  28  14.281 -10.518   0.732
  207   1HG   GLN  28          2HG       GLN  28  16.061  -9.656  -1.013
  208   2HG   GLN  28          1HG       GLN  28  15.162  -8.145  -0.860
  209   1HE2  GLN  28          2HE2      GLN  28  17.457  -9.539   2.207
  210   2HE2  GLN  28          1HE2      GLN  28  17.112 -10.505   0.817
  211    H    GLY  29           H        GLY  29  14.966 -10.219  -3.486
  212   1HA   GLY  29          2HA       GLY  29  14.716  -8.834  -5.295
  213   2HA   GLY  29          1HA       GLY  29  13.023  -9.319  -5.212
  214    H    SER  30           H        SER  30  12.971  -7.021  -6.124
  215    HA   SER  30           HA       SER  30  12.183  -5.245  -3.961
  216   1HB   SER  30          2HB       SER  30  13.470  -3.360  -5.193
  217   2HB   SER  30          1HB       SER  30  14.341  -4.404  -4.078
  218    HG   SER  30           HG       SER  30  14.208  -4.677  -6.916
  219    H    CYS  31           H        CYS  31  11.018  -3.357  -4.779
  220    HA   CYS  31           HA       CYS  31   9.240  -4.104  -6.914
  221   1HB   CYS  31          2HB       CYS  31   9.446  -1.577  -5.273
  222   2HB   CYS  31          1HB       CYS  31   8.131  -1.973  -6.365
  223    H    GLN  32           H        GLN  32   9.590  -3.697  -8.995
  224    HA   GLN  32           HA       GLN  32  10.862  -1.195  -9.813
  225   1HB   GLN  32          2HB       GLN  32  11.975  -3.932 -10.332
  226   2HB   GLN  32          1HB       GLN  32  12.263  -2.615 -11.467
  227   1HG   GLN  32          2HG       GLN  32  13.216  -1.266  -9.621
  228   2HG   GLN  32          1HG       GLN  32  12.976  -2.626  -8.525
  229   1HE2  GLN  32          2HE2      GLN  32  16.166  -3.765  -9.278
  230   2HE2  GLN  32          1HE2      GLN  32  14.993  -3.304  -8.095
  231    H    SER  33           H        SER  33   9.795  -0.350 -11.471
  232    HA   SER  33           HA       SER  33   7.546  -1.577 -12.642
  233   1HB   SER  33          2HB       SER  33   7.364   0.371 -13.951
  234   2HB   SER  33          1HB       SER  33   8.094   0.911 -12.444
  235    HG   SER  33           HG       SER  33  10.147   0.335 -13.816
  236    H    THR  34           H        THR  34   7.556  -3.213 -14.034
  237    HA   THR  34           HA       THR  34   9.865  -3.635 -15.776
  238    HB   THR  34           HB       THR  34   9.230  -5.878 -15.904
  239    HG1  THR  34           HG1      THR  34   6.680  -5.080 -14.936
  240   1HG2  THR  34          1HG2      THR  34   9.775  -4.881 -13.513
  241   2HG2  THR  34          3HG2      THR  34   8.118  -5.390 -13.180
  242   3HG2  THR  34          2HG2      THR  34   9.314  -6.572 -13.713
  243    H    ILE  35           H        ILE  35   9.479  -4.283 -18.011
  244    HA   ILE  35           HA       ILE  35   7.796  -2.496 -19.396
  245    HB   ILE  35           HB       ILE  35   8.810  -5.074 -20.550
  246   1HG1  ILE  35          2HG1      ILE  35  10.719  -3.057 -20.999
  247   2HG1  ILE  35          1HG1      ILE  35  10.361  -3.013 -19.274
  248   1HG2  ILE  35          3HG2      ILE  35   8.154  -2.337 -21.597
  249   2HG2  ILE  35          2HG2      ILE  35   9.216  -3.427 -22.492
  250   3HG2  ILE  35          1HG2      ILE  35   7.555  -3.907 -22.138
  251   1HD1  ILE  35          2HD1      ILE  35  10.902  -5.623 -20.667
  252   2HD1  ILE  35          1HD1      ILE  35  12.228  -4.604 -20.103
  253   3HD1  ILE  35          3HD1      ILE  35  11.047  -5.233 -18.952
  254    H    SER  36           H        SER  36   7.376  -5.791 -18.294
  255    HA   SER  36           HA       SER  36   5.049  -6.437 -19.764
  256   1HB   SER  36          2HB       SER  36   4.875  -8.297 -18.354
  257   2HB   SER  36          1HB       SER  36   6.601  -7.959 -18.372
  258    HG   SER  36           HG       SER  36   6.425  -7.037 -16.356
  259    H    ALA  37           H        ALA  37   5.655  -4.587 -16.887
  260    HA   ALA  37           HA       ALA  37   3.042  -4.518 -15.815
  261   1HB   ALA  37          3HB       ALA  37   5.145  -3.805 -14.637
  262   2HB   ALA  37          2HB       ALA  37   5.134  -2.347 -15.633
  263   3HB   ALA  37          1HB       ALA  37   3.811  -2.657 -14.507
  264    H    LEU  38           H        LEU  38   4.394  -3.161 -18.623
  265    HA   LEU  38           HA       LEU  38   2.911  -0.788 -18.903
  266   1HB   LEU  38          2HB       LEU  38   4.052  -2.684 -20.955
  267   2HB   LEU  38          1HB       LEU  38   3.357  -1.114 -21.344
  268    HG   LEU  38           HG       LEU  38   5.707  -1.607 -19.518
  269   1HD1  LEU  38          1HD1      LEU  38   6.240  -1.974 -21.882
  270   2HD1  LEU  38          3HD1      LEU  38   5.600  -0.377 -22.275
  271   3HD1  LEU  38          2HD1      LEU  38   7.036  -0.526 -21.261
  272   1HD2  LEU  38          1HD2      LEU  38   4.424   0.970 -20.447
  273   2HD2  LEU  38          3HD2      LEU  38   4.413   0.327 -18.804
  274   3HD2  LEU  38          2HD2      LEU  38   5.930   0.857 -19.534
  275    H    TRP  39           H        TRP  39   2.202  -4.146 -19.639
  276    HA   TRP  39           HA       TRP  39  -0.164  -3.775 -21.121
  277   1HB   TRP  39          2HB       TRP  39   0.121  -6.108 -19.286
  278   2HB   TRP  39          1HB       TRP  39  -0.459  -6.052 -20.944
  279    HD1  TRP  39           HD1      TRP  39   1.892  -8.071 -19.819
  280    HE1  TRP  39           HE1      TRP  39   4.145  -8.026 -21.022
  281    HE3  TRP  39           HE3      TRP  39   1.593  -3.502 -22.117
  282    HZ2  TRP  39           HZ2      TRP  39   5.624  -6.335 -22.701
  283    HZ3  TRP  39           HZ3      TRP  39   3.468  -2.733 -23.511
  284    HH2  TRP  39           HH2      TRP  39   5.467  -4.134 -23.804
  285    H    LYS  40           H        LYS  40   0.578  -3.415 -17.801
  286    HA   LYS  40           HA       LYS  40  -2.280  -3.024 -17.157
  287   1HB   LYS  40          2HB       LYS  40  -1.599  -3.648 -14.796
  288   2HB   LYS  40          1HB       LYS  40  -1.619  -4.969 -15.963
  289   1HG   LYS  40          2HG       LYS  40   0.841  -4.638 -16.279
  290   2HG   LYS  40          1HG       LYS  40   0.803  -3.451 -14.978
  291   1HD   LYS  40          2HD       LYS  40  -0.430  -6.055 -14.342
  292   2HD   LYS  40          1HD       LYS  40   1.310  -6.096 -14.618
  293   1HE   LYS  40          2HE       LYS  40   0.071  -4.053 -12.792
  294   2HE   LYS  40          1HE       LYS  40   0.462  -5.671 -12.215
  295   1HZ   LYS  40          3HZ       LYS  40   2.751  -5.138 -13.284
  296   2HZ   LYS  40          2HZ       LYS  40   2.256  -3.524 -13.103
  297   3HZ   LYS  40          1HZ       LYS  40   2.372  -4.537 -11.744
  298    H    LYS  41           H        LYS  41  -0.576  -1.054 -18.206
  299    HA   LYS  41           HA       LYS  41   0.914   0.602 -16.740
  300   1HB   LYS  41          2HB       LYS  41  -0.125   1.002 -19.045
  301   2HB   LYS  41          1HB       LYS  41  -1.477   1.726 -18.179
  302   1HG   LYS  41          2HG       LYS  41  -0.311   3.641 -18.220
  303   2HG   LYS  41          1HG       LYS  41   0.748   2.907 -17.019
  304   1HD   LYS  41          2HD       LYS  41   1.583   1.919 -19.529
  305   2HD   LYS  41          1HD       LYS  41   1.329   3.650 -19.736
  306   1HE   LYS  41          2HE       LYS  41   2.882   2.564 -17.399
  307   2HE   LYS  41          1HE       LYS  41   3.653   2.854 -18.957
  308   1HZ   LYS  41          1HZ       LYS  41   2.116   5.099 -18.251
  309   2HZ   LYS  41          3HZ       LYS  41   3.113   4.693 -16.941
  310   3HZ   LYS  41          2HZ       LYS  41   3.797   4.988 -18.467
  311    H    CYS  42           HN       CYS  42   0.822   1.173 -14.693
  312    HA   CYS  42           HA       CYS  42  -1.310   1.051 -12.945
  313   1HB   CYS  42          2HB       CYS  42   1.131   1.415 -12.414
  314   2HB   CYS  42          1HB       CYS  42   0.893   3.104 -12.813
   
  No H/Q in entry =         314
  Start of MODEL   16
    1   1H    CYS   1          1H        CYS   1   1.622  -0.091   0.698
    2   2H    CYS   1          3H        CYS   1   1.226   1.507   0.295
    3   3H    CYS   1          2H        CYS   1   0.224   0.232  -0.211
    4    HA   CYS   1           HA       CYS   1   1.829  -0.580  -1.714
    5   1HB   CYS   1          2HB       CYS   1   0.506   1.584  -2.257
    6   2HB   CYS   1          1HB       CYS   1   2.052   2.391  -2.041
    7    H    ALA   2           H        ALA   2   3.943  -0.097  -2.817
    8    HA   ALA   2           HA       ALA   2   5.970   0.875  -0.905
    9   1HB   ALA   2          2HB       ALA   2   5.698  -1.720  -1.225
   10   2HB   ALA   2          1HB       ALA   2   6.572  -1.417  -2.728
   11   3HB   ALA   2          3HB       ALA   2   7.307  -0.993  -1.182
   12    H    LYS   3           H        LYS   3   7.967   1.561  -1.931
   13    HA   LYS   3           HA       LYS   3   7.474   2.644  -4.630
   14   1HB   LYS   3          2HB       LYS   3   9.168   3.538  -2.317
   15   2HB   LYS   3          1HB       LYS   3   9.514   4.097  -3.952
   16   1HG   LYS   3          2HG       LYS   3   7.942   5.664  -3.704
   17   2HG   LYS   3          1HG       LYS   3   6.732   4.388  -3.587
   18   1HD   LYS   3          2HD       LYS   3   6.389   5.506  -1.593
   19   2HD   LYS   3          1HD       LYS   3   7.534   4.263  -1.090
   20   1HE   LYS   3          2HE       LYS   3   9.219   6.251  -1.900
   21   2HE   LYS   3          1HE       LYS   3   7.868   7.184  -1.262
   22   1HZ   LYS   3          3HZ       LYS   3   8.099   5.485   0.693
   23   2HZ   LYS   3          2HZ       LYS   3   9.694   5.357   0.119
   24   3HZ   LYS   3          1HZ       LYS   3   9.084   6.863   0.616
   25    H    LYS   4           H        LYS   4   9.632   2.976  -5.861
   26    HA   LYS   4           HA       LYS   4  10.690   0.423  -6.455
   27   1HB   LYS   4          2HB       LYS   4  11.423   3.227  -7.238
   28   2HB   LYS   4          1HB       LYS   4  12.433   1.868  -7.722
   29   1HG   LYS   4          2HG       LYS   4  10.515   0.815  -8.819
   30   2HG   LYS   4          1HG       LYS   4   9.478   2.142  -8.302
   31   1HD   LYS   4          2HD       LYS   4  11.943   2.699  -9.919
   32   2HD   LYS   4          1HD       LYS   4  10.468   2.153 -10.714
   33   1HE   LYS   4          2HE       LYS   4   9.894   4.327 -10.760
   34   2HE   LYS   4          1HE       LYS   4   9.537   4.129  -9.047
   35   1HZ   LYS   4          1HZ       LYS   4  12.311   4.659  -9.696
   36   2HZ   LYS   4          3HZ       LYS   4  11.238   5.932 -10.017
   37   3HZ   LYS   4          2HZ       LYS   4  11.344   5.285  -8.448
   38    H    ARG   5           H        ARG   5  12.674  -0.499  -6.014
   39    HA   ARG   5           HA       ARG   5  14.731  -0.811  -4.998
   40   1HB   ARG   5          2HB       ARG   5  14.410   1.870  -3.664
   41   2HB   ARG   5          1HB       ARG   5  15.895   0.971  -3.961
   42   1HG   ARG   5          2HG       ARG   5  16.139   2.043  -5.904
   43   2HG   ARG   5          1HG       ARG   5  14.623   1.347  -6.469
   44   1HD   ARG   5          2HD       ARG   5  13.491   3.280  -6.168
   45   2HD   ARG   5          1HD       ARG   5  14.290   3.618  -4.633
   46    HE   ARG   5           HE       ARG   5  15.194   4.441  -7.290
   47   1HH1  ARG   5          1HH2      ARG   5  15.973   3.986  -3.926
   48   2HH1  ARG   5          2HH2      ARG   5  17.170   5.238  -3.898
   49   1HH2  ARG   5          1HH1      ARG   5  17.588   6.471  -5.779
   50   2HH2  ARG   5          2HH1      ARG   5  16.708   6.158  -7.238
   51    H    ASN   6           H        ASN   6  11.800  -0.796  -3.744
   52    HA   ASN   6           HA       ASN   6  12.536  -1.083  -0.926
   53   1HB   ASN   6          2HB       ASN   6   9.906  -1.014  -2.395
   54   2HB   ASN   6          1HB       ASN   6  10.037  -1.413  -0.685
   55   1HD2  ASN   6          2HD2      ASN   6  11.048   2.377  -1.912
   56   2HD2  ASN   6          1HD2      ASN   6  11.277   1.023  -2.958
   57    H    TRP   7           H        TRP   7  13.141  -3.016  -0.204
   58    HA   TRP   7           HA       TRP   7  13.179  -5.386  -1.615
   59   1HB   TRP   7          2HB       TRP   7  13.233  -4.734   1.294
   60   2HB   TRP   7          1HB       TRP   7  13.142  -6.414   0.785
   61    HD1  TRP   7           HD1      TRP   7  15.113  -6.025  -1.833
   62    HE1  TRP   7           HE1      TRP   7  17.616  -5.778  -1.379
   63    HE3  TRP   7           HE3      TRP   7  14.985  -4.606   3.068
   64    HZ2  TRP   7           HZ2      TRP   7  19.334  -5.084   0.735
   65    HZ3  TRP   7           HZ3      TRP   7  17.096  -4.161   4.260
   66    HH2  TRP   7           HH2      TRP   7  19.255  -4.399   3.105
   67    H    CYS   8           H        CYS   8  11.848  -7.145  -1.813
   68    HA   CYS   8           HA       CYS   8   9.028  -6.713  -1.079
   69   1HB   CYS   8          2HB       CYS   8  10.423  -8.099  -3.305
   70   2HB   CYS   8          1HB       CYS   8   8.900  -8.785  -2.756
   71    H    GLY   9           H        GLY   9  10.690  -9.738  -1.808
   72   1HA   GLY   9          2HA       GLY   9  11.147 -11.591  -0.483
   73   2HA   GLY   9          1HA       GLY   9  10.601 -10.681   0.928
   74    H    LYS  10           H        LYS  10   9.498 -12.462  -1.916
   75    HA   LYS  10           HA       LYS  10   7.633 -13.742  -2.293
   76   1HB   LYS  10          2HB       LYS  10   8.292 -14.221   0.322
   77   2HB   LYS  10          1HB       LYS  10   6.623 -13.673   0.461
   78   1HG   LYS  10          2HG       LYS  10   6.563 -16.047   0.187
   79   2HG   LYS  10          1HG       LYS  10   6.027 -15.338  -1.334
   80   1HD   LYS  10          2HD       LYS  10   7.520 -16.973  -2.049
   81   2HD   LYS  10          1HD       LYS  10   8.532 -15.530  -2.018
   82   1HE   LYS  10          2HE       LYS  10   9.135 -16.244   0.381
   83   2HE   LYS  10          1HE       LYS  10   8.444 -17.805  -0.049
   84   1HZ   LYS  10          3HZ       LYS  10  10.130 -17.106  -2.120
   85   2HZ   LYS  10          2HZ       LYS  10  10.980 -16.737  -0.697
   86   3HZ   LYS  10          1HZ       LYS  10  10.383 -18.307  -0.950
   87    H    THR  11           H        THR  11   5.095 -13.706  -1.418
   88    HA   THR  11           HA       THR  11   3.154 -12.541  -1.885
   89    HB   THR  11           HB       THR  11   2.811 -10.630  -0.362
   90    HG1  THR  11           HG1      THR  11   5.487 -11.044   0.471
   91   1HG2  THR  11          1HG2      THR  11   2.712 -13.073   0.366
   92   2HG2  THR  11          3HG2      THR  11   4.286 -12.796   1.114
   93   3HG2  THR  11          2HG2      THR  11   2.883 -11.866   1.642
   94    H    GLU  12           H        GLU  12   2.540  -9.875  -2.042
   95    HA   GLU  12           HA       GLU  12   4.383  -8.537  -3.845
   96   1HB   GLU  12          2HB       GLU  12   2.415 -10.248  -4.902
   97   2HB   GLU  12          1HB       GLU  12   1.818  -8.610  -5.150
   98   1HG   GLU  12          2HG       GLU  12   3.192  -8.425  -6.905
   99   2HG   GLU  12          1HG       GLU  12   4.563  -8.556  -5.802
  100    H    ASP  13           H        ASP  13   3.972  -6.337  -4.015
  101    HA   ASP  13           HA       ASP  13   1.635  -4.968  -3.510
  102   1HB   ASP  13          2HB       ASP  13   2.872  -5.990  -1.068
  103   2HB   ASP  13          1HB       ASP  13   2.594  -4.249  -1.038
  104    H    CYS  14           H        CYS  14   2.583  -3.665  -5.068
  105    HA   CYS  14           HA       CYS  14   4.430  -1.649  -4.009
  106   1HB   CYS  14          2HB       CYS  14   4.876  -2.887  -6.723
  107   2HB   CYS  14          1HB       CYS  14   5.896  -1.721  -5.894
  108    H    CYS  15           H        CYS  15   4.669   0.100  -5.861
  109    HA   CYS  15           HA       CYS  15   1.921   0.793  -6.622
  110   1HB   CYS  15          2HB       CYS  15   4.447   2.349  -6.208
  111   2HB   CYS  15          1HB       CYS  15   3.119   3.039  -7.130
  112    H    CYS  16           H        CYS  16   1.454  -0.143  -8.533
  113    HA   CYS  16           HA       CYS  16   2.979  -0.933 -10.607
  114   1HB   CYS  16          2HB       CYS  16   1.048  -0.170 -12.117
  115   2HB   CYS  16          1HB       CYS  16   0.698  -1.324 -10.842
  116    HA   PRO  17           HA       PRO  17   2.992  -1.002 -12.791
  117   1HB   PRO  17          2HB       PRO  17   5.134  -1.017 -14.443
  118   2HB   PRO  17          1HB       PRO  17   3.593  -0.251 -14.856
  119   1HG   PRO  17          2HG       PRO  17   6.146   0.986 -14.015
  120   2HG   PRO  17          1HG       PRO  17   4.883   1.614 -15.085
  121   1HD   PRO  17          2HD       PRO  17   5.269   2.344 -12.422
  122   2HD   PRO  17          1HD       PRO  17   3.799   2.629 -13.374
  123    H    MET  18           H        MET  18   5.095   0.173 -10.601
  124    HA   MET  18           HA       MET  18   7.280  -1.570 -10.546
  125   1HB   MET  18          2HB       MET  18   5.787  -0.167  -8.334
  126   2HB   MET  18          1HB       MET  18   7.291  -1.042  -8.085
  127   1HG   MET  18          2HG       MET  18   8.540   0.578  -9.047
  128   2HG   MET  18          1HG       MET  18   7.350   0.882 -10.306
  129   1HE   MET  18          3HE       MET  18   6.364   0.673  -6.680
  130   2HE   MET  18          2HE       MET  18   7.862   1.516  -6.286
  131   3HE   MET  18          1HE       MET  18   6.316   2.340  -6.087
  132    H    LYS  19           H        LYS  19   7.427  -3.678 -10.182
  133    HA   LYS  19           HA       LYS  19   5.328  -5.021  -8.601
  134   1HB   LYS  19          2HB       LYS  19   4.786  -5.489 -10.894
  135   2HB   LYS  19          1HB       LYS  19   6.461  -5.897 -11.259
  136   1HG   LYS  19          2HG       LYS  19   6.306  -7.799  -9.672
  137   2HG   LYS  19          1HG       LYS  19   4.608  -7.414  -9.414
  138   1HD   LYS  19          2HD       LYS  19   5.438  -7.728 -12.234
  139   2HD   LYS  19          1HD       LYS  19   5.483  -9.194 -11.257
  140   1HE   LYS  19          2HE       LYS  19   3.178  -9.073 -10.771
  141   2HE   LYS  19          1HE       LYS  19   3.073  -7.390 -11.279
  142   1HZ   LYS  19          3HZ       LYS  19   4.003  -8.876 -13.445
  143   2HZ   LYS  19          2HZ       LYS  19   2.667  -9.707 -12.804
  144   3HZ   LYS  19          1HZ       LYS  19   2.511  -8.084 -13.283
  145    H    CYS  20           H        CYS  20   6.024  -6.768  -7.373
  146    HA   CYS  20           HA       CYS  20   8.585  -6.704  -6.307
  147   1HB   CYS  20          2HB       CYS  20   6.406  -8.744  -6.339
  148   2HB   CYS  20          1HB       CYS  20   7.983  -9.194  -5.706
  149    H    VAL  21           H        VAL  21  10.306  -6.796  -7.626
  150    HA   VAL  21           HA       VAL  21  10.505  -8.994  -9.576
  151    HB   VAL  21           HB       VAL  21  12.050  -6.417  -9.308
  152   1HG1  VAL  21          3HG1      VAL  21  12.325  -8.711 -11.237
  153   2HG1  VAL  21          2HG1      VAL  21  12.913  -7.087 -11.602
  154   3HG1  VAL  21          1HG1      VAL  21  13.569  -7.975 -10.224
  155   1HG2  VAL  21          1HG2      VAL  21   9.534  -6.814 -10.330
  156   2HG2  VAL  21          3HG2      VAL  21  10.618  -5.495 -10.776
  157   3HG2  VAL  21          2HG2      VAL  21  10.551  -6.955 -11.766
  158    H    TYR  22           H        TYR  22  12.751  -9.890  -9.843
  159    HA   TYR  22           HA       TYR  22  13.891 -10.464  -7.194
  160   1HB   TYR  22          2HB       TYR  22  13.015 -12.324  -8.659
  161   2HB   TYR  22          1HB       TYR  22  14.319 -11.957  -9.780
  162    HD1  TYR  22           HD1      TYR  22  16.717 -12.047  -8.859
  163    HD2  TYR  22           HD2      TYR  22  13.355 -13.766  -6.870
  164    HE1  TYR  22           HE1      TYR  22  18.227 -13.499  -7.558
  165    HE2  TYR  22           HE2      TYR  22  14.867 -15.215  -5.571
  166    HH   TYR  22           HH       TYR  22  18.388 -14.990  -5.920
  167    H    ALA  23           H        ALA  23  16.229 -10.673  -7.046
  168    HA   ALA  23           HA       ALA  23  17.614  -8.848  -8.907
  169   1HB   ALA  23          1HB       ALA  23  17.855  -9.243  -5.940
  170   2HB   ALA  23          3HB       ALA  23  19.201  -8.580  -6.870
  171   3HB   ALA  23          2HB       ALA  23  17.646  -7.745  -6.849
  172    H    TRP  24           H        TRP  24  19.397 -10.583  -6.504
  173    HA   TRP  24           HA       TRP  24  20.062 -12.813  -8.219
  174   1HB   TRP  24          2HB       TRP  24  22.596 -12.033  -7.804
  175   2HB   TRP  24          1HB       TRP  24  21.697 -11.655  -9.265
  176    HD1  TRP  24           HD1      TRP  24  20.314  -9.098  -9.039
  177    HE1  TRP  24           HE1      TRP  24  21.326  -6.938  -8.130
  178    HE3  TRP  24           HE3      TRP  24  24.239 -11.005  -6.354
  179    HZ2  TRP  24           HZ2      TRP  24  23.465  -6.109  -6.519
  180    HZ3  TRP  24           HZ3      TRP  24  25.734  -9.463  -5.153
  181    HH2  TRP  24           HH2      TRP  24  25.354  -7.035  -5.232
  182    H    TYR  25           H        TYR  25  22.014 -11.204  -5.755
  183    HA   TYR  25           HA       TYR  25  22.058 -13.622  -4.173
  184   1HB   TYR  25          2HB       TYR  25  23.914 -12.750  -3.155
  185   2HB   TYR  25          1HB       TYR  25  23.996 -11.924  -4.701
  186    HD1  TYR  25           HD2      TYR  25  22.406  -9.683  -4.665
  187    HD2  TYR  25           HD1      TYR  25  24.403 -11.447  -1.332
  188    HE1  TYR  25           HE2      TYR  25  22.368  -7.515  -3.493
  189    HE2  TYR  25           HE1      TYR  25  24.362  -9.278  -0.162
  190    HH   TYR  25           HH       TYR  25  23.472  -6.350  -1.738
  191    H    ASN  26           H        ASN  26  19.720 -11.578  -4.495
  192    HA   ASN  26           HA       ASN  26  18.980 -11.604  -1.654
  193   1HB   ASN  26          2HB       ASN  26  19.288  -9.230  -3.407
  194   2HB   ASN  26          1HB       ASN  26  17.866  -9.270  -2.364
  195   1HD2  ASN  26          2HD2      ASN  26  21.152  -7.964  -0.770
  196   2HD2  ASN  26          1HD2      ASN  26  20.617  -7.838  -2.408
  197    H    GLU  27           H        GLU  27  17.640 -13.355  -2.224
  198    HA   GLU  27           HA       GLU  27  15.769 -13.408  -4.302
  199   1HB   GLU  27          2HB       GLU  27  16.265 -15.434  -3.159
  200   2HB   GLU  27          1HB       GLU  27  15.801 -14.748  -1.603
  201   1HG   GLU  27          2HG       GLU  27  13.465 -14.517  -2.478
  202   2HG   GLU  27          1HG       GLU  27  13.975 -15.379  -3.930
  203    H    GLN  28           H        GLN  28  15.774 -11.641  -1.349
  204    HA   GLN  28           HA       GLN  28  13.033 -11.313  -0.881
  205   1HB   GLN  28          2HB       GLN  28  13.728  -9.188   0.235
  206   2HB   GLN  28          1HB       GLN  28  14.627 -10.604   0.763
  207   1HG   GLN  28          2HG       GLN  28  16.177  -9.737  -1.306
  208   2HG   GLN  28          1HG       GLN  28  15.551  -8.209  -0.684
  209   1HE2  GLN  28          2HE2      GLN  28  17.493  -8.223   2.197
  210   2HE2  GLN  28          1HE2      GLN  28  16.324  -7.427   1.204
  211    H    GLY  29           H        GLY  29  15.024 -10.165  -3.409
  212   1HA   GLY  29          2HA       GLY  29  14.721  -8.666  -5.132
  213   2HA   GLY  29          1HA       GLY  29  13.057  -9.249  -5.081
  214    H    SER  30           H        SER  30  12.684  -6.987  -5.840
  215    HA   SER  30           HA       SER  30  11.758  -5.373  -3.658
  216   1HB   SER  30          2HB       SER  30  13.097  -3.341  -4.556
  217   2HB   SER  30          1HB       SER  30  13.878  -4.459  -3.449
  218    HG   SER  30           HG       SER  30  14.051  -5.043  -6.175
  219    H    CYS  31           H        CYS  31  10.627  -3.431  -4.439
  220    HA   CYS  31           HA       CYS  31   9.020  -4.019  -6.710
  221   1HB   CYS  31          2HB       CYS  31   9.284  -1.448  -5.151
  222   2HB   CYS  31          1HB       CYS  31   7.983  -1.855  -6.253
  223    H    GLN  32           H        GLN  32   9.634  -3.777  -8.747
  224    HA   GLN  32           HA       GLN  32  11.053  -1.347  -9.558
  225   1HB   GLN  32          2HB       GLN  32  12.063  -4.151  -9.897
  226   2HB   GLN  32          1HB       GLN  32  12.478  -2.904 -11.071
  227   1HG   GLN  32          2HG       GLN  32  14.019  -2.038  -9.696
  228   2HG   GLN  32          1HG       GLN  32  12.849  -1.919  -8.381
  229   1HE2  GLN  32          2HE2      GLN  32  15.735  -4.589  -8.116
  230   2HE2  GLN  32          1HE2      GLN  32  15.730  -3.179  -9.114
  231    H    SER  33           H        SER  33  10.372  -0.587 -11.481
  232    HA   SER  33           HA       SER  33   8.009  -1.470 -12.650
  233   1HB   SER  33          2HB       SER  33   8.370   0.152 -14.298
  234   2HB   SER  33          1HB       SER  33   9.240   0.778 -12.902
  235    HG   SER  33           HG       SER  33  11.145  -0.256 -13.858
  236    H    THR  34           H        THR  34   7.646  -2.429 -14.759
  237    HA   THR  34           HA       THR  34   9.815  -3.968 -15.926
  238    HB   THR  34           HB       THR  34   8.423  -6.045 -15.862
  239    HG1  THR  34           HG1      THR  34   6.939  -4.493 -14.002
  240   1HG2  THR  34          1HG2      THR  34  10.196  -5.064 -14.012
  241   2HG2  THR  34          3HG2      THR  34   8.814  -5.508 -13.008
  242   3HG2  THR  34          2HG2      THR  34   9.577  -6.714 -14.051
  243    H    ILE  35           H        ILE  35   9.388  -4.677 -18.046
  244    HA   ILE  35           HA       ILE  35   7.747  -2.986 -19.592
  245    HB   ILE  35           HB       ILE  35   8.649  -5.695 -20.503
  246   1HG1  ILE  35          2HG1      ILE  35  10.648  -3.797 -21.108
  247   2HG1  ILE  35          1HG1      ILE  35  10.306  -3.637 -19.387
  248   1HG2  ILE  35          1HG2      ILE  35   7.461  -3.476 -21.749
  249   2HG2  ILE  35          3HG2      ILE  35   9.141  -3.498 -22.286
  250   3HG2  ILE  35          2HG2      ILE  35   8.122  -4.919 -22.520
  251   1HD1  ILE  35          2HD1      ILE  35  10.366  -6.402 -19.897
  252   2HD1  ILE  35          1HD1      ILE  35  11.741  -5.722 -20.769
  253   3HD1  ILE  35          3HD1      ILE  35  11.574  -5.449 -19.034
  254    H    SER  36           H        SER  36   7.232  -6.159 -18.183
  255    HA   SER  36           HA       SER  36   4.867  -6.842 -19.575
  256   1HB   SER  36          2HB       SER  36   4.637  -8.567 -18.010
  257   2HB   SER  36          1HB       SER  36   6.373  -8.301 -18.071
  258    HG   SER  36           HG       SER  36   5.553  -6.655 -16.249
  259    H    ALA  37           H        ALA  37   5.566  -4.762 -16.888
  260    HA   ALA  37           HA       ALA  37   2.964  -4.510 -15.809
  261   1HB   ALA  37          2HB       ALA  37   5.045  -3.799 -14.653
  262   2HB   ALA  37          1HB       ALA  37   5.198  -2.474 -15.809
  263   3HB   ALA  37          3HB       ALA  37   3.822  -2.527 -14.705
  264    H    LEU  38           H        LEU  38   4.323  -3.469 -18.733
  265    HA   LEU  38           HA       LEU  38   2.967  -1.049 -19.200
  266   1HB   LEU  38          2HB       LEU  38   3.986  -3.183 -21.075
  267   2HB   LEU  38          1HB       LEU  38   3.333  -1.642 -21.616
  268    HG   LEU  38           HG       LEU  38   5.739  -2.072 -19.853
  269   1HD1  LEU  38          3HD1      LEU  38   5.845  -2.412 -22.413
  270   2HD1  LEU  38          2HD1      LEU  38   5.702  -0.655 -22.495
  271   3HD1  LEU  38          1HD1      LEU  38   7.062  -1.391 -21.644
  272   1HD2  LEU  38          3HD2      LEU  38   4.072   0.315 -20.379
  273   2HD2  LEU  38          2HD2      LEU  38   5.077  -0.081 -18.983
  274   3HD2  LEU  38          1HD2      LEU  38   5.819   0.553 -20.453
  275    H    TRP  39           H        TRP  39   2.037  -4.409 -19.536
  276    HA   TRP  39           HA       TRP  39  -0.320  -4.056 -21.047
  277   1HB   TRP  39          2HB       TRP  39  -0.178  -6.187 -18.970
  278   2HB   TRP  39          1HB       TRP  39  -0.743  -6.277 -20.632
  279    HD1  TRP  39           HD1      TRP  39   1.479  -8.292 -19.238
  280    HE1  TRP  39           HE1      TRP  39   3.729  -8.534 -20.421
  281    HE3  TRP  39           HE3      TRP  39   1.459  -4.032 -22.084
  282    HZ2  TRP  39           HZ2      TRP  39   5.307  -7.156 -22.287
  283    HZ3  TRP  39           HZ3      TRP  39   3.379  -3.557 -23.550
  284    HH2  TRP  39           HH2      TRP  39   5.287  -5.103 -23.653
  285    H    LYS  40           H        LYS  40   0.493  -3.420 -17.781
  286    HA   LYS  40           HA       LYS  40  -2.311  -2.704 -17.186
  287   1HB   LYS  40          2HB       LYS  40  -1.731  -3.210 -14.783
  288   2HB   LYS  40          1HB       LYS  40  -1.833  -4.616 -15.840
  289   1HG   LYS  40          2HG       LYS  40   0.702  -4.358 -16.138
  290   2HG   LYS  40          1HG       LYS  40   0.633  -3.265 -14.757
  291   1HD   LYS  40          2HD       LYS  40  -0.642  -5.210 -13.592
  292   2HD   LYS  40          1HD       LYS  40   0.050  -6.208 -14.868
  293   1HE   LYS  40          2HE       LYS  40   1.588  -6.363 -13.090
  294   2HE   LYS  40          1HE       LYS  40   2.307  -5.201 -14.200
  295   1HZ   LYS  40          3HZ       LYS  40   1.176  -3.455 -12.782
  296   2HZ   LYS  40          2HZ       LYS  40   0.935  -4.685 -11.635
  297   3HZ   LYS  40          1HZ       LYS  40   2.510  -4.249 -12.098
  298    H    LYS  41           H        LYS  41  -0.399  -1.025 -18.383
  299    HA   LYS  41           HA       LYS  41   1.249   0.589 -17.045
  300   1HB   LYS  41          2HB       LYS  41   0.303   0.901 -19.389
  301   2HB   LYS  41          1HB       LYS  41  -1.007   1.801 -18.627
  302   1HG   LYS  41          2HG       LYS  41   0.394   3.558 -19.002
  303   2HG   LYS  41          1HG       LYS  41   1.087   3.027 -17.472
  304   1HD   LYS  41          2HD       LYS  41   2.183   1.589 -19.763
  305   2HD   LYS  41          1HD       LYS  41   2.451   3.327 -19.863
  306   1HE   LYS  41          2HE       LYS  41   3.092   2.888 -17.270
  307   2HE   LYS  41          1HE       LYS  41   3.555   1.341 -17.971
  308   1HZ   LYS  41          3HZ       LYS  41   4.405   3.649 -19.480
  309   2HZ   LYS  41          2HZ       LYS  41   5.103   3.527 -17.936
  310   3HZ   LYS  41          1HZ       LYS  41   5.268   2.254 -19.049
  311    H    CYS  42           HN       CYS  42   1.106   1.062 -14.947
  312    HA   CYS  42           HA       CYS  42  -1.045   1.412 -13.311
  313   1HB   CYS  42          2HB       CYS  42   1.463   1.495 -12.784
  314   2HB   CYS  42          1HB       CYS  42   1.355   3.212 -13.127
   
  No H/Q in entry =         314
  Start of MODEL   17
    1   1H    CYS   1          3H        CYS   1   2.012  -0.025   0.952
    2   2H    CYS   1          2H        CYS   1   0.569   0.069   0.060
    3   3H    CYS   1          1H        CYS   1   1.269  -1.442   0.392
    4    HA   CYS   1           HA       CYS   1   2.264  -1.329  -1.563
    5   1HB   CYS   1          2HB       CYS   1   0.558   0.580  -1.991
    6   2HB   CYS   1          1HB       CYS   1   1.934   1.644  -1.745
    7    H    ALA   2           H        ALA   2   4.242  -0.405  -2.640
    8    HA   ALA   2           HA       ALA   2   6.053   0.934  -0.747
    9   1HB   ALA   2          3HB       ALA   2   6.528  -1.685  -2.164
   10   2HB   ALA   2          2HB       ALA   2   7.849  -0.688  -1.549
   11   3HB   ALA   2          1HB       ALA   2   6.644  -1.341  -0.437
   12    H    LYS   3           H        LYS   3   8.113   1.593  -1.908
   13    HA   LYS   3           HA       LYS   3   7.384   2.638  -4.569
   14   1HB   LYS   3          2HB       LYS   3   9.222   3.601  -2.396
   15   2HB   LYS   3          1HB       LYS   3   9.427   4.155  -4.056
   16   1HG   LYS   3          2HG       LYS   3   6.893   4.395  -2.422
   17   2HG   LYS   3          1HG       LYS   3   8.031   5.702  -2.745
   18   1HD   LYS   3          2HD       LYS   3   7.446   4.662  -5.261
   19   2HD   LYS   3          1HD       LYS   3   5.901   4.647  -4.415
   20   1HE   LYS   3          2HE       LYS   3   6.225   7.027  -3.829
   21   2HE   LYS   3          1HE       LYS   3   7.738   7.029  -4.731
   22   1HZ   LYS   3          2HZ       LYS   3   6.421   6.358  -6.708
   23   2HZ   LYS   3          1HZ       LYS   3   5.006   6.610  -5.802
   24   3HZ   LYS   3          3HZ       LYS   3   6.051   7.909  -6.121
   25    H    LYS   4           H        LYS   4   9.571   3.110  -5.845
   26    HA   LYS   4           HA       LYS   4  10.629   0.547  -6.524
   27   1HB   LYS   4          2HB       LYS   4  11.456   3.326  -7.375
   28   2HB   LYS   4          1HB       LYS   4  12.052   1.833  -8.097
   29   1HG   LYS   4          2HG       LYS   4  10.204   1.594  -9.345
   30   2HG   LYS   4          1HG       LYS   4   9.150   1.890  -7.964
   31   1HD   LYS   4          2HD       LYS   4   8.974   4.132  -8.400
   32   2HD   LYS   4          1HD       LYS   4  10.583   4.229  -9.113
   33   1HE   LYS   4          2HE       LYS   4   9.179   2.557 -10.835
   34   2HE   LYS   4          1HE       LYS   4   8.006   3.794 -10.393
   35   1HZ   LYS   4          1HZ       LYS   4   9.855   5.428 -10.925
   36   2HZ   LYS   4          3HZ       LYS   4  10.639   4.133 -11.689
   37   3HZ   LYS   4          2HZ       LYS   4   9.114   4.643 -12.236
   38    H    ARG   5           H        ARG   5  12.725  -0.231  -6.284
   39    HA   ARG   5           HA       ARG   5  14.863  -0.410  -5.421
   40   1HB   ARG   5          2HB       ARG   5  14.503   2.183  -3.952
   41   2HB   ARG   5          1HB       ARG   5  15.992   1.434  -4.522
   42   1HG   ARG   5          2HG       ARG   5  15.851   2.532  -6.464
   43   2HG   ARG   5          1HG       ARG   5  14.232   1.897  -6.748
   44   1HD   ARG   5          2HD       ARG   5  13.314   3.887  -6.280
   45   2HD   ARG   5          1HD       ARG   5  14.148   3.955  -4.727
   46    HE   ARG   5           HE       ARG   5  15.645   5.420  -5.692
   47   1HH1  ARG   5          1HH2      ARG   5  14.259   3.388  -8.152
   48   2HH1  ARG   5          2HH2      ARG   5  14.923   4.299  -9.468
   49   1HH2  ARG   5          2HH1      ARG   5  16.446   6.692  -7.423
   50   2HH2  ARG   5          1HH1      ARG   5  16.167   6.178  -9.053
   51    H    ASN   6           H        ASN   6  11.977  -0.102  -3.765
   52    HA   ASN   6           HA       ASN   6  13.057  -0.717  -1.126
   53   1HB   ASN   6          2HB       ASN   6  10.315  -0.168  -2.224
   54   2HB   ASN   6          1HB       ASN   6  10.526  -0.867  -0.620
   55   1HD2  ASN   6          2HD2      ASN   6  10.886   3.052  -1.102
   56   2HD2  ASN   6          1HD2      ASN   6  10.150   1.963  -2.224
   57    H    TRP   7           H        TRP   7  13.430  -2.737  -0.491
   58    HA   TRP   7           HA       TRP   7  13.243  -5.010  -1.969
   59   1HB   TRP   7          2HB       TRP   7  13.149  -4.550   0.983
   60   2HB   TRP   7          1HB       TRP   7  13.010  -6.177   0.333
   61    HD1  TRP   7           HD1      TRP   7  15.169  -5.993  -2.022
   62    HE1  TRP   7           HE1      TRP   7  17.644  -5.801  -1.427
   63    HE3  TRP   7           HE3      TRP   7  14.797  -4.251   2.769
   64    HZ2  TRP   7           HZ2      TRP   7  19.254  -5.029   0.741
   65    HZ3  TRP   7           HZ3      TRP   7  16.850  -3.803   4.056
   66    HH2  TRP   7           HH2      TRP   7  19.062  -4.189   3.052
   67    H    CYS   8           H        CYS   8  11.847  -6.939  -1.619
   68    HA   CYS   8           HA       CYS   8   9.030  -6.143  -1.781
   69   1HB   CYS   8          2HB       CYS   8  10.509  -7.739  -3.380
   70   2HB   CYS   8          1HB       CYS   8   9.830  -8.939  -2.290
   71    H    GLY   9           H        GLY   9   7.424  -7.100  -0.543
   72   1HA   GLY   9          2HA       GLY   9   8.247  -8.894   1.642
   73   2HA   GLY   9          1HA       GLY   9   7.398  -7.397   2.031
   74    H    LYS  10           H        LYS  10   5.226  -7.345   1.908
   75    HA   LYS  10           HA       LYS  10   3.757  -9.322   0.358
   76   1HB   LYS  10          2HB       LYS  10   2.499 -10.173   2.240
   77   2HB   LYS  10          1HB       LYS  10   4.217 -10.434   2.526
   78   1HG   LYS  10          2HG       LYS  10   4.303  -8.919   4.239
   79   2HG   LYS  10          1HG       LYS  10   3.038  -7.904   3.548
   80   1HD   LYS  10          2HD       LYS  10   1.840  -8.795   5.274
   81   2HD   LYS  10          1HD       LYS  10   1.567 -10.071   4.091
   82   1HE   LYS  10          2HE       LYS  10   3.076 -11.517   5.106
   83   2HE   LYS  10          1HE       LYS  10   3.955 -10.209   5.894
   84   1HZ   LYS  10          1HZ       LYS  10   1.552  -9.950   7.008
   85   2HZ   LYS  10          3HZ       LYS  10   1.576 -11.626   6.747
   86   3HZ   LYS  10          2HZ       LYS  10   2.800 -10.893   7.671
   87    H    THR  11           H        THR  11   1.424  -8.644   2.270
   88    HA   THR  11           HA       THR  11  -0.391  -7.250   2.065
   89    HB   THR  11           HB       THR  11   0.988  -6.094   3.724
   90    HG1  THR  11           HG1      THR  11  -1.005  -5.176   3.006
   91   1HG2  THR  11          3HG2      THR  11   2.156  -4.748   1.297
   92   2HG2  THR  11          2HG2      THR  11   2.265  -4.053   2.915
   93   3HG2  THR  11          1HG2      THR  11   3.002  -5.623   2.575
   94    H    GLU  12           H        GLU  12  -0.911  -4.860   1.026
   95    HA   GLU  12           HA       GLU  12  -1.476  -5.129  -1.576
   96   1HB   GLU  12          2HB       GLU  12  -1.076  -2.873   0.187
   97   2HB   GLU  12          1HB       GLU  12  -0.611  -2.473  -1.465
   98   1HG   GLU  12          2HG       GLU  12  -2.848  -2.001  -1.605
   99   2HG   GLU  12          1HG       GLU  12  -2.912  -3.720  -1.998
  100    H    ASP  13           H        ASP  13  -0.343  -5.680  -3.303
  101    HA   ASP  13           HA       ASP  13   2.380  -5.949  -3.541
  102   1HB   ASP  13          2HB       ASP  13   0.652  -5.110  -5.861
  103   2HB   ASP  13          1HB       ASP  13   2.059  -6.173  -5.876
  104    H    CYS  14           H        CYS  14   3.848  -4.694  -5.047
  105    HA   CYS  14           HA       CYS  14   4.390  -2.160  -4.070
  106   1HB   CYS  14          2HB       CYS  14   5.001  -3.049  -6.887
  107   2HB   CYS  14          1HB       CYS  14   5.883  -1.876  -5.921
  108    H    CYS  15           H        CYS  15   4.563  -0.237  -5.792
  109    HA   CYS  15           HA       CYS  15   1.781   0.402  -6.440
  110   1HB   CYS  15          2HB       CYS  15   4.279   2.022  -6.052
  111   2HB   CYS  15          1HB       CYS  15   2.845   2.722  -6.786
  112    H    CYS  16           H        CYS  16   1.319  -0.491  -8.386
  113    HA   CYS  16           HA       CYS  16   2.799  -1.059 -10.551
  114   1HB   CYS  16          2HB       CYS  16   0.778  -0.326 -11.955
  115   2HB   CYS  16          1HB       CYS  16   0.542  -1.570 -10.742
  116    HA   PRO  17           HA       PRO  17   2.735  -1.018 -12.736
  117   1HB   PRO  17          2HB       PRO  17   4.854  -0.856 -14.412
  118   2HB   PRO  17          1HB       PRO  17   3.271  -0.144 -14.770
  119   1HG   PRO  17          2HG       PRO  17   5.773   1.171 -13.886
  120   2HG   PRO  17          1HG       PRO  17   4.481   1.784 -14.930
  121   1HD   PRO  17          2HD       PRO  17   4.829   2.439 -12.252
  122   2HD   PRO  17          1HD       PRO  17   3.331   2.654 -13.179
  123    H    MET  18           H        MET  18   4.856   0.173 -10.548
  124    HA   MET  18           HA       MET  18   7.107  -1.464 -10.604
  125   1HB   MET  18          2HB       MET  18   5.580  -0.283  -8.290
  126   2HB   MET  18          1HB       MET  18   7.140  -1.077  -8.124
  127   1HG   MET  18          2HG       MET  18   8.269   0.658  -9.046
  128   2HG   MET  18          1HG       MET  18   6.997   1.000 -10.210
  129   1HE   MET  18          3HE       MET  18   6.155   0.456  -6.579
  130   2HE   MET  18          2HE       MET  18   7.670   1.270  -6.193
  131   3HE   MET  18          1HE       MET  18   6.136   2.061  -5.834
  132    H    LYS  19           H        LYS  19   7.311  -3.588 -10.467
  133    HA   LYS  19           HA       LYS  19   5.291  -5.125  -8.955
  134   1HB   LYS  19          2HB       LYS  19   5.380  -5.248 -11.602
  135   2HB   LYS  19          1HB       LYS  19   6.697  -6.370 -11.267
  136   1HG   LYS  19          2HG       LYS  19   4.930  -7.366  -9.554
  137   2HG   LYS  19          1HG       LYS  19   3.787  -6.618 -10.666
  138   1HD   LYS  19          2HD       LYS  19   5.161  -7.827 -12.511
  139   2HD   LYS  19          1HD       LYS  19   5.762  -8.820 -11.185
  140   1HE   LYS  19          2HE       LYS  19   3.905 -10.008 -11.992
  141   2HE   LYS  19          1HE       LYS  19   3.293  -9.168 -10.570
  142   1HZ   LYS  19          1HZ       LYS  19   3.066  -7.990 -13.267
  143   2HZ   LYS  19          3HZ       LYS  19   1.914  -9.093 -12.691
  144   3HZ   LYS  19          2HZ       LYS  19   2.170  -7.628 -11.870
  145    H    CYS  20           H        CYS  20   6.060  -7.043  -7.956
  146    HA   CYS  20           HA       CYS  20   8.533  -6.805  -6.665
  147   1HB   CYS  20          2HB       CYS  20   6.477  -8.181  -6.000
  148   2HB   CYS  20          1HB       CYS  20   7.091  -9.415  -7.091
  149    H    VAL  21           H        VAL  21  10.441  -6.875  -7.628
  150    HA   VAL  21           HA       VAL  21  10.887  -8.734  -9.869
  151    HB   VAL  21           HB       VAL  21  12.615  -6.421  -9.015
  152   1HG1  VAL  21          2HG1      VAL  21  12.960  -8.495 -10.899
  153   2HG1  VAL  21          1HG1      VAL  21  12.655  -7.017 -11.812
  154   3HG1  VAL  21          3HG1      VAL  21  13.978  -7.076 -10.646
  155   1HG2  VAL  21          3HG2      VAL  21  10.088  -6.480 -10.548
  156   2HG2  VAL  21          2HG2      VAL  21  10.824  -5.169  -9.624
  157   3HG2  VAL  21          1HG2      VAL  21  11.397  -5.529 -11.255
  158    H    TYR  22           H        TYR  22  12.747 -10.040  -9.905
  159    HA   TYR  22           HA       TYR  22  13.861 -10.637  -7.237
  160   1HB   TYR  22          2HB       TYR  22  12.535 -12.369  -8.620
  161   2HB   TYR  22          1HB       TYR  22  13.975 -12.453  -9.627
  162    HD1  TYR  22           HD1      TYR  22  16.230 -12.604  -8.093
  163    HD2  TYR  22           HD2      TYR  22  12.341 -14.001  -7.030
  164    HE1  TYR  22           HE1      TYR  22  17.235 -14.198  -6.502
  165    HE2  TYR  22           HE2      TYR  22  13.347 -15.591  -5.439
  166    HH   TYR  22           HH       TYR  22  16.661 -16.311  -5.402
  167    H    ALA  23           H        ALA  23  16.028 -10.584  -6.912
  168    HA   ALA  23           HA       ALA  23  17.680  -9.554  -9.110
  169   1HB   ALA  23          2HB       ALA  23  18.035  -9.594  -6.113
  170   2HB   ALA  23          1HB       ALA  23  19.323  -9.115  -7.220
  171   3HB   ALA  23          3HB       ALA  23  17.819  -8.192  -7.164
  172    H    TRP  24           H        TRP  24  19.350 -11.075  -6.531
  173    HA   TRP  24           HA       TRP  24  19.540 -13.681  -7.760
  174   1HB   TRP  24          2HB       TRP  24  22.186 -13.227  -7.681
  175   2HB   TRP  24          1HB       TRP  24  21.218 -13.035  -9.134
  176    HD1  TRP  24           HD1      TRP  24  20.229 -10.317  -9.421
  177    HE1  TRP  24           HE1      TRP  24  21.592  -8.189  -9.068
  178    HE3  TRP  24           HE3      TRP  24  24.052 -12.167  -6.560
  179    HZ2  TRP  24           HZ2      TRP  24  23.943  -7.362  -7.782
  180    HZ3  TRP  24           HZ3      TRP  24  25.832 -10.645  -5.803
  181    HH2  TRP  24           HH2      TRP  24  25.781  -8.262  -6.407
  182    H    TYR  25           H        TYR  25  21.739 -11.746  -5.764
  183    HA   TYR  25           HA       TYR  25  21.817 -13.800  -3.743
  184   1HB   TYR  25          2HB       TYR  25  23.640 -12.685  -2.892
  185   2HB   TYR  25          1HB       TYR  25  23.724 -12.218  -4.582
  186    HD1  TYR  25           HD2      TYR  25  22.538  -9.992  -5.215
  187    HD2  TYR  25           HD1      TYR  25  23.652 -11.064  -1.237
  188    HE1  TYR  25           HE2      TYR  25  22.463  -7.619  -4.552
  189    HE2  TYR  25           HE1      TYR  25  23.577  -8.690  -0.579
  190    HH   TYR  25           HH       TYR  25  23.757  -6.241  -2.488
  191    H    ASN  26           H        ASN  26  19.542 -11.663  -4.472
  192    HA   ASN  26           HA       ASN  26  18.735 -11.263  -1.671
  193   1HB   ASN  26          2HB       ASN  26  19.166  -9.244  -3.773
  194   2HB   ASN  26          1HB       ASN  26  17.629  -9.110  -2.920
  195   1HD2  ASN  26          2HD2      ASN  26  21.155  -8.574  -0.909
  196   2HD2  ASN  26          1HD2      ASN  26  21.107  -9.457  -2.390
  197    H    GLU  27           H        GLU  27  17.437 -13.160  -2.041
  198    HA   GLU  27           HA       GLU  27  15.544 -13.426  -4.102
  199   1HB   GLU  27          2HB       GLU  27  16.203 -15.294  -2.673
  200   2HB   GLU  27          1HB       GLU  27  15.457 -14.509  -1.283
  201   1HG   GLU  27          2HG       GLU  27  13.285 -14.534  -2.631
  202   2HG   GLU  27          1HG       GLU  27  14.108 -15.640  -3.732
  203    H    GLN  28           H        GLN  28  15.553 -11.536  -1.200
  204    HA   GLN  28           HA       GLN  28  12.810 -11.138  -0.797
  205   1HB   GLN  28          2HB       GLN  28  13.459  -9.141   0.411
  206   2HB   GLN  28          1HB       GLN  28  14.584 -10.444   0.778
  207   1HG   GLN  28          2HG       GLN  28  16.177  -9.515  -0.862
  208   2HG   GLN  28          1HG       GLN  28  15.051  -8.198  -1.197
  209   1HE2  GLN  28          2HE2      GLN  28  15.416  -6.955   2.258
  210   2HE2  GLN  28          1HE2      GLN  28  14.132  -7.529   1.254
  211    H    GLY  29           H        GLY  29  14.841 -10.169  -3.341
  212   1HA   GLY  29          2HA       GLY  29  14.620  -8.735  -5.126
  213   2HA   GLY  29          1HA       GLY  29  12.926  -9.221  -5.053
  214    H    SER  30           H        SER  30  12.808  -6.941  -5.943
  215    HA   SER  30           HA       SER  30  11.993  -5.176  -3.798
  216   1HB   SER  30          2HB       SER  30  13.348  -3.276  -4.933
  217   2HB   SER  30          1HB       SER  30  14.152  -4.342  -3.792
  218    HG   SER  30           HG       SER  30  14.150  -5.219  -6.420
  219    H    CYS  31           H        CYS  31  10.830  -3.306  -4.609
  220    HA   CYS  31           HA       CYS  31   9.159  -3.996  -6.835
  221   1HB   CYS  31          2HB       CYS  31   9.325  -1.468  -5.188
  222   2HB   CYS  31          1HB       CYS  31   8.048  -1.858  -6.324
  223    H    GLN  32           H        GLN  32   9.463  -3.460  -8.911
  224    HA   GLN  32           HA       GLN  32  10.904  -1.022  -9.616
  225   1HB   GLN  32          2HB       GLN  32  11.810  -3.752 -10.540
  226   2HB   GLN  32          1HB       GLN  32  12.424  -2.214 -11.142
  227   1HG   GLN  32          2HG       GLN  32  13.253  -1.640  -8.923
  228   2HG   GLN  32          1HG       GLN  32  12.570  -3.125  -8.262
  229   1HE2  GLN  32          2HE2      GLN  32  16.229  -3.496  -9.122
  230   2HE2  GLN  32          1HE2      GLN  32  15.337  -2.293  -8.259
  231    H    SER  33           H        SER  33  10.339  -0.204 -11.589
  232    HA   SER  33           HA       SER  33   7.862  -1.040 -12.706
  233   1HB   SER  33          2HB       SER  33   8.592   0.649 -14.531
  234   2HB   SER  33          1HB       SER  33   8.261   1.240 -12.908
  235    HG   SER  33           HG       SER  33  10.242   1.991 -13.006
  236    H    THR  34           H        THR  34   7.792  -2.978 -13.686
  237    HA   THR  34           HA       THR  34   9.941  -3.833 -15.447
  238    HB   THR  34           HB       THR  34   8.870  -5.967 -15.455
  239    HG1  THR  34           HG1      THR  34   6.720  -4.879 -13.975
  240   1HG2  THR  34          3HG2      THR  34   9.283  -4.551 -12.913
  241   2HG2  THR  34          2HG2      THR  34   8.308  -6.016 -12.793
  242   3HG2  THR  34          1HG2      THR  34   9.936  -6.092 -13.473
  243    H    ILE  35           H        ILE  35   9.615  -4.406 -17.634
  244    HA   ILE  35           HA       ILE  35   7.990  -2.652 -19.133
  245    HB   ILE  35           HB       ILE  35   9.031  -5.264 -20.176
  246   1HG1  ILE  35          2HG1      ILE  35  10.967  -3.252 -20.592
  247   2HG1  ILE  35          1HG1      ILE  35  10.560  -3.212 -18.878
  248   1HG2  ILE  35          1HG2      ILE  35   8.733  -2.513 -21.387
  249   2HG2  ILE  35          3HG2      ILE  35   9.395  -3.926 -22.211
  250   3HG2  ILE  35          2HG2      ILE  35   7.705  -3.913 -21.701
  251   1HD1  ILE  35          1HD1      ILE  35  10.972  -5.893 -20.086
  252   2HD1  ILE  35          3HD1      ILE  35  12.404  -4.880 -19.893
  253   3HD1  ILE  35          2HD1      ILE  35  11.419  -5.294 -18.487
  254    H    SER  36           H        SER  36   7.536  -5.932 -17.980
  255    HA   SER  36           HA       SER  36   5.252  -6.593 -19.508
  256   1HB   SER  36          2HB       SER  36   5.029  -8.434 -18.081
  257   2HB   SER  36          1HB       SER  36   6.755  -8.104 -18.054
  258    HG   SER  36           HG       SER  36   4.825  -7.273 -16.122
  259    H    ALA  37           H        ALA  37   5.776  -4.705 -16.641
  260    HA   ALA  37           HA       ALA  37   3.132  -4.614 -15.650
  261   1HB   ALA  37          3HB       ALA  37   5.131  -3.901 -14.367
  262   2HB   ALA  37          2HB       ALA  37   5.291  -2.507 -15.438
  263   3HB   ALA  37          1HB       ALA  37   3.873  -2.665 -14.399
  264    H    LEU  38           H        LEU  38   4.575  -3.294 -18.429
  265    HA   LEU  38           HA       LEU  38   3.106  -0.922 -18.790
  266   1HB   LEU  38          2HB       LEU  38   4.293  -2.850 -20.788
  267   2HB   LEU  38          1HB       LEU  38   3.637  -1.272 -21.205
  268    HG   LEU  38           HG       LEU  38   5.923  -1.796 -19.307
  269   1HD1  LEU  38          2HD1      LEU  38   6.517  -2.175 -21.655
  270   2HD1  LEU  38          1HD1      LEU  38   5.920  -0.565 -22.065
  271   3HD1  LEU  38          3HD1      LEU  38   7.322  -0.744 -21.009
  272   1HD2  LEU  38          1HD2      LEU  38   4.175   0.432 -19.532
  273   2HD2  LEU  38          3HD2      LEU  38   5.619   0.273 -18.530
  274   3HD2  LEU  38          2HD2      LEU  38   5.749   0.919 -20.168
  275    H    TRP  39           H        TRP  39   2.417  -4.292 -19.506
  276    HA   TRP  39           HA       TRP  39   0.092  -3.931 -21.059
  277   1HB   TRP  39          2HB       TRP  39   0.335  -6.254 -19.204
  278   2HB   TRP  39          1HB       TRP  39  -0.205  -6.209 -20.877
  279    HD1  TRP  39           HD1      TRP  39   2.124  -8.220 -19.697
  280    HE1  TRP  39           HE1      TRP  39   4.404  -8.168 -20.843
  281    HE3  TRP  39           HE3      TRP  39   1.870  -3.651 -21.999
  282    HZ2  TRP  39           HZ2      TRP  39   5.921  -6.472 -22.485
  283    HZ3  TRP  39           HZ3      TRP  39   3.777  -2.875 -23.347
  284    HH2  TRP  39           HH2      TRP  39   5.786  -4.273 -23.590
  285    H    LYS  40           H        LYS  40   0.746  -3.592 -17.713
  286    HA   LYS  40           HA       LYS  40  -2.130  -3.210 -17.143
  287   1HB   LYS  40          2HB       LYS  40  -1.460  -3.754 -14.749
  288   2HB   LYS  40          1HB       LYS  40  -1.466  -5.104 -15.882
  289   1HG   LYS  40          2HG       LYS  40   1.009  -4.697 -16.209
  290   2HG   LYS  40          1HG       LYS  40   0.924  -3.566 -14.861
  291   1HD   LYS  40          2HD       LYS  40  -0.343  -6.057 -14.151
  292   2HD   LYS  40          1HD       LYS  40   1.293  -6.353 -14.738
  293   1HE   LYS  40          2HE       LYS  40   0.697  -4.226 -12.690
  294   2HE   LYS  40          1HE       LYS  40   1.003  -5.898 -12.230
  295   1HZ   LYS  40          3HZ       LYS  40   3.047  -5.394 -13.890
  296   2HZ   LYS  40          2HZ       LYS  40   2.832  -3.871 -13.168
  297   3HZ   LYS  40          1HZ       LYS  40   3.122  -5.238 -12.202
  298    H    LYS  41           H        LYS  41  -0.429  -1.241 -18.212
  299    HA   LYS  41           HA       LYS  41   0.989   0.487 -16.761
  300   1HB   LYS  41          2HB       LYS  41   0.209   0.913 -19.064
  301   2HB   LYS  41          1HB       LYS  41  -1.380   1.335 -18.430
  302   1HG   LYS  41          2HG       LYS  41  -0.608   3.443 -18.328
  303   2HG   LYS  41          1HG       LYS  41   0.316   2.907 -16.927
  304   1HD   LYS  41          2HD       LYS  41   1.430   2.528 -19.684
  305   2HD   LYS  41          1HD       LYS  41   1.537   4.104 -18.904
  306   1HE   LYS  41          2HE       LYS  41   2.587   2.925 -16.926
  307   2HE   LYS  41          1HE       LYS  41   2.678   1.483 -17.932
  308   1HZ   LYS  41          2HZ       LYS  41   3.842   3.094 -19.574
  309   2HZ   LYS  41          1HZ       LYS  41   4.133   4.021 -18.180
  310   3HZ   LYS  41          3HZ       LYS  41   4.716   2.431 -18.277
  311    H    CYS  42           HN       CYS  42   0.847   1.184 -14.765
  312    HA   CYS  42           HA       CYS  42  -1.378   1.074 -13.090
  313   1HB   CYS  42          2HB       CYS  42   1.095   1.377 -12.527
  314   2HB   CYS  42          1HB       CYS  42   0.838   3.086 -12.815
   
  No H/Q in entry =         314
  Start of MODEL   18
    1   1H    CYS   1          1H        CYS   1   1.792  -0.608   0.901
    2   2H    CYS   1          3H        CYS   1   1.257   0.974   0.604
    3   3H    CYS   1          2H        CYS   1   0.411  -0.345  -0.053
    4    HA   CYS   1           HA       CYS   1   2.286  -0.912  -1.439
    5   1HB   CYS   1          2HB       CYS   1   0.524   0.904  -2.048
    6   2HB   CYS   1          1HB       CYS   1   1.848   2.030  -1.801
    7    H    ALA   2           H        ALA   2   4.287   0.117  -2.465
    8    HA   ALA   2           HA       ALA   2   5.908   1.581  -0.493
    9   1HB   ALA   2          1HB       ALA   2   6.189  -1.079  -0.662
   10   2HB   ALA   2          3HB       ALA   2   7.258  -0.602  -1.983
   11   3HB   ALA   2          2HB       ALA   2   7.549   0.004  -0.350
   12    H    LYS   3           H        LYS   3   8.304   1.434  -1.928
   13    HA   LYS   3           HA       LYS   3   7.624   2.840  -4.441
   14   1HB   LYS   3          2HB       LYS   3   9.609   3.511  -2.291
   15   2HB   LYS   3          1HB       LYS   3   9.861   4.058  -3.946
   16   1HG   LYS   3          2HG       LYS   3   8.716   5.840  -2.945
   17   2HG   LYS   3          1HG       LYS   3   7.450   4.962  -3.800
   18   1HD   LYS   3          2HD       LYS   3   6.349   4.954  -1.842
   19   2HD   LYS   3          1HD       LYS   3   7.503   3.722  -1.336
   20   1HE   LYS   3          2HE       LYS   3   7.439   5.455   0.342
   21   2HE   LYS   3          1HE       LYS   3   8.989   5.535  -0.490
   22   1HZ   LYS   3          1HZ       LYS   3   6.952   7.157  -1.701
   23   2HZ   LYS   3          3HZ       LYS   3   7.301   7.610  -0.105
   24   3HZ   LYS   3          2HZ       LYS   3   8.543   7.557  -1.263
   25    H    LYS   4           H        LYS   4   9.774   3.022  -5.800
   26    HA   LYS   4           HA       LYS   4  10.487   0.371  -6.549
   27   1HB   LYS   4          2HB       LYS   4  11.574   3.071  -7.342
   28   2HB   LYS   4          1HB       LYS   4  12.134   1.558  -8.050
   29   1HG   LYS   4          2HG       LYS   4  10.200   1.233  -9.221
   30   2HG   LYS   4          1HG       LYS   4   9.199   2.001  -7.993
   31   1HD   LYS   4          2HD       LYS   4   9.097   3.540  -9.727
   32   2HD   LYS   4          1HD       LYS   4  10.410   4.186  -8.747
   33   1HE   LYS   4          2HE       LYS   4  11.188   4.253 -10.985
   34   2HE   LYS   4          1HE       LYS   4  11.992   2.873 -10.242
   35   1HZ   LYS   4          1HZ       LYS   4   9.923   1.619 -11.184
   36   2HZ   LYS   4          3HZ       LYS   4   9.869   2.931 -12.260
   37   3HZ   LYS   4          2HZ       LYS   4  11.259   1.958 -12.177
   38    H    ARG   5           H        ARG   5  12.499  -0.666  -6.418
   39    HA   ARG   5           HA       ARG   5  14.522  -1.265  -5.507
   40   1HB   ARG   5          2HB       ARG   5  14.688   1.490  -4.302
   41   2HB   ARG   5          1HB       ARG   5  16.009   0.393  -4.698
   42   1HG   ARG   5          2HG       ARG   5  16.186   1.484  -6.647
   43   2HG   ARG   5          1HG       ARG   5  14.658   0.736  -7.108
   44   1HD   ARG   5          2HD       ARG   5  13.487   2.661  -6.831
   45   2HD   ARG   5          1HD       ARG   5  14.419   3.142  -5.413
   46    HE   ARG   5           HE       ARG   5  14.994   3.813  -8.179
   47   1HH1  ARG   5          1HH2      ARG   5  16.201   3.481  -4.930
   48   2HH1  ARG   5          2HH2      ARG   5  17.503   4.601  -5.156
   49   1HH2  ARG   5          2HH1      ARG   5  16.697   5.307  -8.486
   50   2HH2  ARG   5          1HH1      ARG   5  17.785   5.640  -7.179
   51    H    ASN   6           H        ASN   6  11.803  -1.083  -4.070
   52    HA   ASN   6           HA       ASN   6  12.673  -1.134  -1.275
   53   1HB   ASN   6          2HB       ASN   6  10.006  -1.057  -2.656
   54   2HB   ASN   6          1HB       ASN   6  10.137  -1.497  -0.954
   55   1HD2  ASN   6          2HD2      ASN   6  11.331   2.273  -2.076
   56   2HD2  ASN   6          1HD2      ASN   6  11.565   0.925  -3.131
   57    H    TRP   7           H        TRP   7  13.117  -2.981  -0.272
   58    HA   TRP   7           HA       TRP   7  13.273  -5.471  -1.432
   59   1HB   TRP   7          2HB       TRP   7  13.107  -4.496   1.362
   60   2HB   TRP   7          1HB       TRP   7  12.897  -6.220   1.083
   61    HD1  TRP   7           HD1      TRP   7  15.181  -5.488  -1.562
   62    HE1  TRP   7           HE1      TRP   7  17.617  -5.750  -0.836
   63    HE3  TRP   7           HE3      TRP   7  14.594  -5.477   3.506
   64    HZ2  TRP   7           HZ2      TRP   7  19.120  -5.931   1.532
   65    HZ3  TRP   7           HZ3      TRP   7  16.574  -5.699   4.960
   66    HH2  TRP   7           HH2      TRP   7  18.821  -5.926   3.981
   67    H    CYS   8           H        CYS   8  11.799  -6.846  -2.174
   68    HA   CYS   8           HA       CYS   8   8.999  -6.445  -1.823
   69   1HB   CYS   8          2HB       CYS   8  10.524  -7.747  -3.653
   70   2HB   CYS   8          1HB       CYS   8   9.920  -9.101  -2.708
   71    H    GLY   9           H        GLY   9   7.493  -7.882  -0.825
   72   1HA   GLY   9          2HA       GLY   9   8.456  -9.884   1.048
   73   2HA   GLY   9          1HA       GLY   9   7.738  -8.453   1.787
   74    H    LYS  10           H        LYS  10   6.744  -9.887  -1.268
   75    HA   LYS  10           HA       LYS  10   4.623 -10.470  -1.982
   76   1HB   LYS  10          2HB       LYS  10   4.694 -12.161   0.513
   77   2HB   LYS  10          1HB       LYS  10   3.861 -12.509  -1.001
   78   1HG   LYS  10          2HG       LYS  10   6.140 -12.512  -2.113
   79   2HG   LYS  10          1HG       LYS  10   6.837 -12.469  -0.495
   80   1HD   LYS  10          2HD       LYS  10   4.870 -14.580  -1.381
   81   2HD   LYS  10          1HD       LYS  10   6.615 -14.768  -1.538
   82   1HE   LYS  10          2HE       LYS  10   6.286 -13.949   1.088
   83   2HE   LYS  10          1HE       LYS  10   4.918 -15.024   0.819
   84   1HZ   LYS  10          1HZ       LYS  10   7.056 -16.300  -0.319
   85   2HZ   LYS  10          3HZ       LYS  10   7.680 -15.649   1.116
   86   3HZ   LYS  10          2HZ       LYS  10   6.328 -16.676   1.169
   87    H    THR  11           H        THR  11   2.492 -11.463  -0.267
   88    HA   THR  11           HA       THR  11   0.652 -10.705   0.872
   89    HB   THR  11           HB       THR  11   2.472  -8.558   1.949
   90    HG1  THR  11           HG1      THR  11   3.446 -10.479   2.424
   91   1HG2  THR  11          3HG2      THR  11  -0.279  -9.171   2.352
   92   2HG2  THR  11          2HG2      THR  11   0.594  -9.554   3.837
   93   3HG2  THR  11          1HG2      THR  11   0.699  -7.934   3.143
   94    H    GLU  12           H        GLU  12   2.494  -7.752   0.095
   95    HA   GLU  12           HA       GLU  12   0.116  -6.747  -1.347
   96   1HB   GLU  12          2HB       GLU  12   1.940  -5.518   0.592
   97   2HB   GLU  12          1HB       GLU  12   1.668  -4.541  -0.850
   98   1HG   GLU  12          2HG       GLU  12  -0.596  -4.297  -0.422
   99   2HG   GLU  12          1HG       GLU  12  -0.682  -5.783   0.526
  100    H    ASP  13           H        ASP  13   0.337  -6.186  -3.431
  101    HA   ASP  13           HA       ASP  13   2.546  -7.008  -4.955
  102   1HB   ASP  13          2HB       ASP  13   0.463  -6.811  -6.064
  103   2HB   ASP  13          1HB       ASP  13   0.249  -5.142  -5.532
  104    H    CYS  14           H        CYS  14   1.559  -3.682  -5.347
  105    HA   CYS  14           HA       CYS  14   3.486  -2.242  -4.032
  106   1HB   CYS  14          2HB       CYS  14   4.732  -3.884  -5.937
  107   2HB   CYS  14          1HB       CYS  14   4.752  -2.259  -6.612
  108    H    CYS  15           H        CYS  15   4.285  -0.319  -5.733
  109    HA   CYS  15           HA       CYS  15   1.725   0.841  -6.532
  110   1HB   CYS  15          2HB       CYS  15   4.467   1.972  -6.042
  111   2HB   CYS  15          1HB       CYS  15   3.184   2.925  -6.771
  112    H    CYS  16           H        CYS  16   1.284  -0.150  -8.475
  113    HA   CYS  16           HA       CYS  16   2.764  -0.862 -10.587
  114   1HB   CYS  16          2HB       CYS  16   0.891   0.080 -12.063
  115   2HB   CYS  16          1HB       CYS  16   0.460  -1.110 -10.845
  116    HA   PRO  17           HA       PRO  17   2.884  -0.864 -12.683
  117   1HB   PRO  17          2HB       PRO  17   5.000  -0.850 -14.369
  118   2HB   PRO  17          1HB       PRO  17   3.461  -0.051 -14.728
  119   1HG   PRO  17          2HG       PRO  17   6.051   1.124 -13.955
  120   2HG   PRO  17          1HG       PRO  17   4.727   1.826 -14.895
  121   1HD   PRO  17          2HD       PRO  17   5.317   2.323 -12.184
  122   2HD   PRO  17          1HD       PRO  17   3.858   2.817 -13.061
  123    H    MET  18           H        MET  18   4.883   0.099 -10.386
  124    HA   MET  18           HA       MET  18   7.164  -1.462 -10.370
  125   1HB   MET  18          2HB       MET  18   5.341  -0.499  -8.193
  126   2HB   MET  18          1HB       MET  18   6.775  -1.443  -7.822
  127   1HG   MET  18          2HG       MET  18   8.216   0.221  -8.555
  128   2HG   MET  18          1HG       MET  18   7.010   0.935  -9.620
  129   1HE   MET  18          1HE       MET  18   6.083  -0.294  -6.260
  130   2HE   MET  18          3HE       MET  18   7.508   0.423  -5.495
  131   3HE   MET  18          2HE       MET  18   5.912   1.122  -5.225
  132    H    LYS  19           H        LYS  19   7.442  -3.578 -10.519
  133    HA   LYS  19           HA       LYS  19   5.370  -5.367  -9.409
  134   1HB   LYS  19          2HB       LYS  19   5.015  -6.039 -11.519
  135   2HB   LYS  19          1HB       LYS  19   6.426  -5.173 -12.112
  136   1HG   LYS  19          2HG       LYS  19   6.790  -7.472 -12.603
  137   2HG   LYS  19          1HG       LYS  19   7.827  -7.094 -11.231
  138   1HD   LYS  19          2HD       LYS  19   6.885  -9.066 -10.507
  139   2HD   LYS  19          1HD       LYS  19   5.739  -7.905  -9.840
  140   1HE   LYS  19          2HE       LYS  19   4.210  -9.228 -10.865
  141   2HE   LYS  19          1HE       LYS  19   4.655  -8.290 -12.288
  142   1HZ   LYS  19          3HZ       LYS  19   6.499 -10.151 -12.420
  143   2HZ   LYS  19          2HZ       LYS  19   5.320 -11.043 -11.583
  144   3HZ   LYS  19          1HZ       LYS  19   4.959 -10.364 -13.098
  145    H    CYS  20           H        CYS  20   6.069  -6.977  -8.119
  146    HA   CYS  20           HA       CYS  20   8.484  -6.897  -6.803
  147   1HB   CYS  20          2HB       CYS  20   6.402  -8.246  -6.232
  148   2HB   CYS  20          1HB       CYS  20   7.013  -9.468  -7.339
  149    H    VAL  21           H        VAL  21  10.435  -6.947  -7.694
  150    HA   VAL  21           HA       VAL  21  10.971  -8.885  -9.854
  151    HB   VAL  21           HB       VAL  21  12.326  -6.290  -9.143
  152   1HG1  VAL  21          1HG1      VAL  21  13.057  -8.409 -11.154
  153   2HG1  VAL  21          3HG1      VAL  21  13.616  -6.740 -11.280
  154   3HG1  VAL  21          2HG1      VAL  21  14.063  -7.717  -9.880
  155   1HG2  VAL  21          2HG2      VAL  21  10.175  -7.028 -10.933
  156   2HG2  VAL  21          1HG2      VAL  21  10.766  -5.425 -10.493
  157   3HG2  VAL  21          3HG2      VAL  21  11.521  -6.311 -11.820
  158    H    TYR  22           H        TYR  22  13.121  -9.849  -9.871
  159    HA   TYR  22           HA       TYR  22  14.050 -10.463  -7.140
  160   1HB   TYR  22          2HB       TYR  22  13.135 -12.289  -8.662
  161   2HB   TYR  22          1HB       TYR  22  14.576 -12.056  -9.642
  162    HD1  TYR  22           HD2      TYR  22  16.849 -12.209  -8.364
  163    HD2  TYR  22           HD1      TYR  22  13.162 -13.798  -6.915
  164    HE1  TYR  22           HE2      TYR  22  18.089 -13.738  -6.880
  165    HE2  TYR  22           HE1      TYR  22  14.406 -15.326  -5.434
  166    HH   TYR  22           HH       TYR  22  17.114 -16.327  -5.673
  167    H    ALA  23           H        ALA  23  16.319 -10.661  -6.778
  168    HA   ALA  23           HA       ALA  23  17.924  -9.009  -8.620
  169   1HB   ALA  23          1HB       ALA  23  18.209  -9.476  -5.647
  170   2HB   ALA  23          3HB       ALA  23  19.356  -8.561  -6.628
  171   3HB   ALA  23          2HB       ALA  23  17.698  -7.985  -6.441
  172    H    TRP  24           H        TRP  24  19.561 -10.728  -6.129
  173    HA   TRP  24           HA       TRP  24  20.127 -13.087  -7.684
  174   1HB   TRP  24          2HB       TRP  24  22.695 -12.384  -7.396
  175   2HB   TRP  24          1HB       TRP  24  21.773 -12.069  -8.858
  176    HD1  TRP  24           HD1      TRP  24  20.547  -9.450  -8.840
  177    HE1  TRP  24           HE1      TRP  24  21.653  -7.277  -8.086
  178    HE3  TRP  24           HE3      TRP  24  24.354 -11.329  -5.973
  179    HZ2  TRP  24           HZ2      TRP  24  23.816  -6.427  -6.517
  180    HZ3  TRP  24           HZ3      TRP  24  25.911  -9.771  -4.874
  181    HH2  TRP  24           HH2      TRP  24  25.648  -7.341  -5.141
  182    H    TYR  25           H        TYR  25  21.976 -11.221  -5.299
  183    HA   TYR  25           HA       TYR  25  22.156 -13.545  -3.584
  184   1HB   TYR  25          2HB       TYR  25  23.940 -12.512  -2.602
  185   2HB   TYR  25          1HB       TYR  25  23.985 -11.734  -4.173
  186    HD1  TYR  25           HD2      TYR  25  22.278  -9.594  -4.243
  187    HD2  TYR  25           HD1      TYR  25  24.287 -11.130  -0.806
  188    HE1  TYR  25           HE2      TYR  25  22.080  -7.397  -3.143
  189    HE2  TYR  25           HE1      TYR  25  24.088  -8.932   0.292
  190    HH   TYR  25           HH       TYR  25  22.500  -6.910   0.088
  191    H    ASN  26           H        ASN  26  19.676 -11.777  -4.078
  192    HA   ASN  26           HA       ASN  26  18.788 -11.761  -1.308
  193   1HB   ASN  26          2HB       ASN  26  19.164  -9.317  -2.978
  194   2HB   ASN  26          1HB       ASN  26  17.753  -9.401  -1.922
  195   1HD2  ASN  26          2HD2      ASN  26  20.939  -8.061  -0.259
  196   2HD2  ASN  26          1HD2      ASN  26  20.312  -7.809  -1.849
  197    H    GLU  27           H        GLU  27  17.363 -13.378  -1.867
  198    HA   GLU  27           HA       GLU  27  15.717 -13.473  -4.129
  199   1HB   GLU  27          2HB       GLU  27  15.941 -15.449  -2.850
  200   2HB   GLU  27          1HB       GLU  27  15.435 -14.641  -1.369
  201   1HG   GLU  27          2HG       GLU  27  13.177 -14.467  -2.133
  202   2HG   GLU  27          1HG       GLU  27  13.627 -14.964  -3.765
  203    H    GLN  28           H        GLN  28  15.384 -11.738  -1.114
  204    HA   GLN  28           HA       GLN  28  12.663 -11.153  -1.109
  205   1HB   GLN  28          2HB       GLN  28  13.322  -9.124   0.161
  206   2HB   GLN  28          1HB       GLN  28  14.071 -10.597   0.766
  207   1HG   GLN  28          2HG       GLN  28  16.112 -10.034  -0.558
  208   2HG   GLN  28          1HG       GLN  28  15.356  -8.501  -0.998
  209   1HE2  GLN  28          2HE2      GLN  28  17.529  -8.335   2.144
  210   2HE2  GLN  28          1HE2      GLN  28  17.770  -9.152   0.641
  211    H    GLY  29           H        GLY  29  15.128 -10.142  -3.248
  212   1HA   GLY  29          2HA       GLY  29  15.251  -8.527  -4.901
  213   2HA   GLY  29          1HA       GLY  29  13.628  -9.115  -5.254
  214    H    SER  30           H        SER  30  13.215  -6.931  -5.992
  215    HA   SER  30           HA       SER  30  12.061  -5.302  -3.891
  216   1HB   SER  30          2HB       SER  30  13.261  -3.243  -4.915
  217   2HB   SER  30          1HB       SER  30  14.114  -4.235  -3.741
  218    HG   SER  30           HG       SER  30  15.179  -3.646  -5.881
  219    H    CYS  31           H        CYS  31  10.813  -3.482  -4.805
  220    HA   CYS  31           HA       CYS  31   9.338  -4.358  -7.109
  221   1HB   CYS  31          2HB       CYS  31   9.161  -1.998  -5.266
  222   2HB   CYS  31          1HB       CYS  31   8.195  -2.079  -6.729
  223    H    GLN  32           H        GLN  32   9.637  -3.817  -9.154
  224    HA   GLN  32           HA       GLN  32  10.950  -1.301  -9.853
  225   1HB   GLN  32          2HB       GLN  32  12.015  -4.034 -10.510
  226   2HB   GLN  32          1HB       GLN  32  12.359  -2.647 -11.539
  227   1HG   GLN  32          2HG       GLN  32  13.380  -1.469  -9.667
  228   2HG   GLN  32          1HG       GLN  32  12.957  -2.788  -8.575
  229   1HE2  GLN  32          2HE2      GLN  32  16.018  -4.302  -9.161
  230   2HE2  GLN  32          1HE2      GLN  32  14.801  -3.775  -8.053
  231    H    SER  33           H        SER  33   9.934  -0.386 -11.518
  232    HA   SER  33           HA       SER  33   7.609  -1.350 -12.656
  233   1HB   SER  33          2HB       SER  33   7.766   0.443 -14.195
  234   2HB   SER  33          1HB       SER  33   8.549   1.011 -12.726
  235    HG   SER  33           HG       SER  33   9.778   1.430 -14.664
  236    H    THR  34           H        THR  34   7.500  -3.297 -13.626
  237    HA   THR  34           HA       THR  34   9.630  -4.224 -15.365
  238    HB   THR  34           HB       THR  34   8.459  -6.325 -15.377
  239    HG1  THR  34           HG1      THR  34   6.426  -6.412 -14.167
  240   1HG2  THR  34          3HG2      THR  34   9.772  -5.633 -13.337
  241   2HG2  THR  34          2HG2      THR  34   8.229  -5.223 -12.581
  242   3HG2  THR  34          1HG2      THR  34   8.560  -6.887 -13.067
  243    H    ILE  35           H        ILE  35   9.303  -4.846 -17.548
  244    HA   ILE  35           HA       ILE  35   7.806  -3.044 -19.106
  245    HB   ILE  35           HB       ILE  35   8.661  -5.749 -20.075
  246   1HG1  ILE  35          2HG1      ILE  35  10.752  -3.911 -20.514
  247   2HG1  ILE  35          1HG1      ILE  35  10.325  -3.778 -18.810
  248   1HG2  ILE  35          1HG2      ILE  35   7.416  -3.878 -21.434
  249   2HG2  ILE  35          3HG2      ILE  35   9.030  -3.172 -21.532
  250   3HG2  ILE  35          2HG2      ILE  35   8.737  -4.792 -22.164
  251   1HD1  ILE  35          1HD1      ILE  35  10.311  -6.483 -19.140
  252   2HD1  ILE  35          3HD1      ILE  35  11.576  -6.009 -20.274
  253   3HD1  ILE  35          2HD1      ILE  35  11.703  -5.559 -18.571
  254    H    SER  36           H        SER  36   7.097  -6.246 -17.868
  255    HA   SER  36           HA       SER  36   4.792  -6.787 -19.410
  256   1HB   SER  36          2HB       SER  36   4.409  -8.555 -17.925
  257   2HB   SER  36          1HB       SER  36   6.155  -8.353 -17.878
  258    HG   SER  36           HG       SER  36   5.792  -8.197 -15.782
  259    H    ALA  37           H        ALA  37   5.409  -4.864 -16.585
  260    HA   ALA  37           HA       ALA  37   2.768  -4.537 -15.643
  261   1HB   ALA  37          3HB       ALA  37   4.804  -3.941 -14.356
  262   2HB   ALA  37          2HB       ALA  37   5.079  -2.595 -15.465
  263   3HB   ALA  37          1HB       ALA  37   3.644  -2.613 -14.439
  264    H    LEU  38           H        LEU  38   4.346  -3.412 -18.438
  265    HA   LEU  38           HA       LEU  38   3.071  -0.950 -18.893
  266   1HB   LEU  38          2HB       LEU  38   4.133  -3.024 -20.810
  267   2HB   LEU  38          1HB       LEU  38   3.600  -1.418 -21.289
  268    HG   LEU  38           HG       LEU  38   5.806  -2.025 -19.323
  269   1HD1  LEU  38          2HD1      LEU  38   6.000  -2.334 -21.985
  270   2HD1  LEU  38          1HD1      LEU  38   6.359  -0.611 -21.861
  271   3HD1  LEU  38          3HD1      LEU  38   7.339  -1.782 -20.975
  272   1HD2  LEU  38          2HD2      LEU  38   4.426   0.468 -20.157
  273   2HD2  LEU  38          1HD2      LEU  38   5.157   0.043 -18.608
  274   3HD2  LEU  38          3HD2      LEU  38   6.177   0.548 -19.957
  275    H    TRP  39           H        TRP  39   2.122  -4.273 -19.530
  276    HA   TRP  39           HA       TRP  39  -0.123  -3.794 -21.153
  277   1HB   TRP  39          2HB       TRP  39  -0.147  -6.012 -19.157
  278   2HB   TRP  39          1HB       TRP  39  -0.646  -6.018 -20.842
  279    HD1  TRP  39           HD1      TRP  39   1.454  -8.162 -19.487
  280    HE1  TRP  39           HE1      TRP  39   3.753  -8.394 -20.571
  281    HE3  TRP  39           HE3      TRP  39   1.684  -3.738 -22.061
  282    HZ2  TRP  39           HZ2      TRP  39   5.458  -6.952 -22.269
  283    HZ3  TRP  39           HZ3      TRP  39   3.686  -3.230 -23.400
  284    HH2  TRP  39           HH2      TRP  39   5.558  -4.820 -23.506
  285    H    LYS  40           H        LYS  40   0.462  -3.247 -17.834
  286    HA   LYS  40           HA       LYS  40  -2.372  -2.526 -17.414
  287   1HB   LYS  40          2HB       LYS  40  -1.969  -3.119 -14.992
  288   2HB   LYS  40          1HB       LYS  40  -2.019  -4.488 -16.101
  289   1HG   LYS  40          2HG       LYS  40   0.477  -4.423 -16.195
  290   2HG   LYS  40          1HG       LYS  40   0.450  -3.165 -14.962
  291   1HD   LYS  40          2HD       LYS  40  -0.936  -5.789 -14.500
  292   2HD   LYS  40          1HD       LYS  40   0.797  -5.631 -14.230
  293   1HE   LYS  40          2HE       LYS  40  -0.165  -3.427 -12.930
  294   2HE   LYS  40          1HE       LYS  40  -1.459  -4.589 -12.659
  295   1HZ   LYS  40          3HZ       LYS  40   1.298  -5.471 -12.242
  296   2HZ   LYS  40          2HZ       LYS  40   0.606  -4.445 -11.078
  297   3HZ   LYS  40          1HZ       LYS  40  -0.121  -5.937 -11.440
  298    H    LYS  41           H        LYS  41  -0.380  -0.829 -18.414
  299    HA   LYS  41           HA       LYS  41   1.213   0.717 -16.961
  300   1HB   LYS  41          2HB       LYS  41   0.590   1.273 -19.247
  301   2HB   LYS  41          1HB       LYS  41  -1.011   1.773 -18.710
  302   1HG   LYS  41          2HG       LYS  41  -0.219   3.832 -18.364
  303   2HG   LYS  41          1HG       LYS  41   0.851   3.187 -17.122
  304   1HD   LYS  41          2HD       LYS  41   1.655   2.933 -19.990
  305   2HD   LYS  41          1HD       LYS  41   1.819   4.498 -19.198
  306   1HE   LYS  41          2HE       LYS  41   3.084   3.296 -17.359
  307   2HE   LYS  41          1HE       LYS  41   3.104   1.884 -18.410
  308   1HZ   LYS  41          2HZ       LYS  41   4.084   4.505 -19.349
  309   2HZ   LYS  41          1HZ       LYS  41   5.090   3.454 -18.471
  310   3HZ   LYS  41          3HZ       LYS  41   4.436   2.957 -19.955
  311    H    CYS  42           HN       CYS  42   1.035   1.115 -14.855
  312    HA   CYS  42           HA       CYS  42  -1.022   1.329 -13.155
  313   1HB   CYS  42          2HB       CYS  42   1.445   1.720 -12.699
  314   2HB   CYS  42          1HB       CYS  42   1.169   3.393 -13.148
   
  No H/Q in entry =         314
  Start of MODEL   19
    1   1H    CYS   1          1H        CYS   1   1.646   0.371   0.761
    2   2H    CYS   1          3H        CYS   1   0.428  -0.570   0.048
    3   3H    CYS   1          2H        CYS   1   1.759  -1.323   0.788
    4    HA   CYS   1           HA       CYS   1   2.129  -1.452  -1.519
    5   1HB   CYS   1          2HB       CYS   1   0.499   0.512  -1.928
    6   2HB   CYS   1          1HB       CYS   1   1.916   1.531  -1.732
    7    H    ALA   2           H        ALA   2   4.101  -0.711  -2.681
    8    HA   ALA   2           HA       ALA   2   6.080   0.497  -0.852
    9   1HB   ALA   2          1HB       ALA   2   6.074  -2.145  -1.390
   10   2HB   ALA   2          3HB       ALA   2   7.027  -1.563  -2.757
   11   3HB   ALA   2          2HB       ALA   2   7.552  -1.221  -1.107
   12    H    LYS   3           H        LYS   3   7.942   1.419  -1.985
   13    HA   LYS   3           HA       LYS   3   7.135   2.527  -4.595
   14   1HB   LYS   3          2HB       LYS   3   8.884   3.529  -2.371
   15   2HB   LYS   3          1HB       LYS   3   9.051   4.175  -4.001
   16   1HG   LYS   3          2HG       LYS   3   7.540   5.612  -2.840
   17   2HG   LYS   3          1HG       LYS   3   6.573   4.651  -3.957
   18   1HD   LYS   3          2HD       LYS   3   5.578   3.444  -2.274
   19   2HD   LYS   3          1HD       LYS   3   6.962   3.603  -1.195
   20   1HE   LYS   3          2HE       LYS   3   6.389   5.957  -0.802
   21   2HE   LYS   3          1HE       LYS   3   5.016   5.811  -1.894
   22   1HZ   LYS   3          3HZ       LYS   3   4.765   3.760  -0.066
   23   2HZ   LYS   3          2HZ       LYS   3   5.201   5.127   0.844
   24   3HZ   LYS   3          1HZ       LYS   3   3.830   5.173  -0.158
   25    H    LYS   4           H        LYS   4   9.338   3.275  -5.777
   26    HA   LYS   4           HA       LYS   4  10.544   0.854  -6.669
   27   1HB   LYS   4          2HB       LYS   4  11.306   3.732  -7.183
   28   2HB   LYS   4          1HB       LYS   4  11.943   2.341  -8.057
   29   1HG   LYS   4          2HG       LYS   4  10.096   2.157  -9.331
   30   2HG   LYS   4          1HG       LYS   4   9.021   2.400  -7.957
   31   1HD   LYS   4          2HD       LYS   4   8.613   4.253  -9.345
   32   2HD   LYS   4          1HD       LYS   4   9.693   4.875  -8.101
   33   1HE   LYS   4          2HE       LYS   4  11.530   4.095  -9.882
   34   2HE   LYS   4          1HE       LYS   4  10.195   4.395 -10.990
   35   1HZ   LYS   4          3HZ       LYS   4  10.015   6.599  -9.667
   36   2HZ   LYS   4          2HZ       LYS   4  11.629   6.274  -9.248
   37   3HZ   LYS   4          1HZ       LYS   4  11.188   6.438 -10.881
   38    H    ARG   5           H        ARG   5  12.571   0.038  -6.317
   39    HA   ARG   5           HA       ARG   5  14.659  -0.235  -5.369
   40   1HB   ARG   5          2HB       ARG   5  14.319   2.408  -3.973
   41   2HB   ARG   5          1HB       ARG   5  15.813   1.581  -4.404
   42   1HG   ARG   5          2HG       ARG   5  15.866   2.762  -6.299
   43   2HG   ARG   5          1HG       ARG   5  14.397   1.938  -6.812
   44   1HD   ARG   5          2HD       ARG   5  13.135   3.772  -6.478
   45   2HD   ARG   5          1HD       ARG   5  13.874   4.091  -4.909
   46    HE   ARG   5           HE       ARG   5  15.216   5.647  -5.956
   47   1HH1  ARG   5          1HH2      ARG   5  14.112   3.291  -8.270
   48   2HH1  ARG   5          2HH2      ARG   5  14.782   4.120  -9.634
   49   1HH2  ARG   5          2HH1      ARG   5  16.075   6.770  -7.755
   50   2HH2  ARG   5          1HH1      ARG   5  15.899   6.098  -9.342
   51    H    ASN   6           H        ASN   6  11.822  -0.459  -4.040
   52    HA   ASN   6           HA       ASN   6  12.708  -0.765  -1.252
   53   1HB   ASN   6          2HB       ASN   6  10.001  -0.522  -2.545
   54   2HB   ASN   6          1HB       ASN   6  10.207  -1.049  -0.879
   55   1HD2  ASN   6          2HD2      ASN   6  11.137   2.808  -1.926
   56   2HD2  ASN   6          1HD2      ASN   6  11.157   1.542  -3.101
   57    H    TRP   7           H        TRP   7  13.297  -2.746  -0.657
   58    HA   TRP   7           HA       TRP   7  13.150  -5.063  -2.140
   59   1HB   TRP   7          2HB       TRP   7  13.275  -4.606   0.828
   60   2HB   TRP   7          1HB       TRP   7  13.309  -6.219   0.135
   61    HD1  TRP   7           HD1      TRP   7  15.302  -5.962  -2.238
   62    HE1  TRP   7           HE1      TRP   7  17.748  -5.346  -1.840
   63    HE3  TRP   7           HE3      TRP   7  14.933  -3.752   2.364
   64    HZ2  TRP   7           HZ2      TRP   7  19.338  -4.109   0.114
   65    HZ3  TRP   7           HZ3      TRP   7  16.962  -2.871   3.444
   66    HH2  TRP   7           HH2      TRP   7  19.148  -3.046   2.331
   67    H    CYS   8           H        CYS   8  11.660  -6.626  -2.485
   68    HA   CYS   8           HA       CYS   8   8.969  -6.187  -1.355
   69   1HB   CYS   8          2HB       CYS   8   8.162  -7.483  -3.286
   70   2HB   CYS   8          1HB       CYS   8   9.044  -6.041  -3.770
   71    H    GLY   9           H        GLY   9   9.455  -7.295   0.593
   72   1HA   GLY   9          2HA       GLY   9   9.263 -10.214   0.324
   73   2HA   GLY   9          1HA       GLY   9  10.559  -9.549   1.321
   74    H    LYS  10           H        LYS  10   7.049  -9.084   0.869
   75    HA   LYS  10           HA       LYS  10   6.321  -9.866   3.471
   76   1HB   LYS  10          2HB       LYS  10   7.564  -7.404   3.508
   77   2HB   LYS  10          1HB       LYS  10   5.853  -6.987   3.458
   78   1HG   LYS  10          2HG       LYS  10   5.881  -7.313   5.683
   79   2HG   LYS  10          1HG       LYS  10   5.916  -9.032   5.299
   80   1HD   LYS  10          2HD       LYS  10   8.050  -9.257   5.984
   81   2HD   LYS  10          1HD       LYS  10   8.553  -7.761   5.202
   82   1HE   LYS  10          2HE       LYS  10   8.430  -6.614   7.125
   83   2HE   LYS  10          1HE       LYS  10   6.830  -7.256   7.487
   84   1HZ   LYS  10          2HZ       LYS  10   9.161  -9.002   7.822
   85   2HZ   LYS  10          1HZ       LYS  10   8.866  -7.807   8.994
   86   3HZ   LYS  10          3HZ       LYS  10   7.690  -8.986   8.671
   87    H    THR  11           H        THR  11   4.131  -8.244   3.940
   88    HA   THR  11           HA       THR  11   2.295  -9.199   1.953
   89    HB   THR  11           HB       THR  11   1.811  -9.005   4.403
   90    HG1  THR  11           HG1      THR  11   0.128  -9.173   2.844
   91   1HG2  THR  11          1HG2      THR  11   1.969  -6.094   3.706
   92   2HG2  THR  11          3HG2      THR  11   0.916  -6.643   5.010
   93   3HG2  THR  11          2HG2      THR  11   2.654  -6.948   5.088
   94    H    GLU  12           H        GLU  12   0.607  -7.671   1.052
   95    HA   GLU  12           HA       GLU  12   0.028  -5.926  -0.314
   96   1HB   GLU  12          2HB       GLU  12   2.145  -4.473   1.279
   97   2HB   GLU  12          1HB       GLU  12   1.018  -3.707   0.162
   98   1HG   GLU  12          2HG       GLU  12  -0.035  -5.432   2.374
   99   2HG   GLU  12          1HG       GLU  12   0.466  -3.777   2.721
  100    H    ASP  13           H        ASP  13   0.555  -5.259  -2.341
  101    HA   ASP  13           HA       ASP  13   3.170  -6.116  -3.356
  102   1HB   ASP  13          2HB       ASP  13   0.952  -5.080  -5.084
  103   2HB   ASP  13          1HB       ASP  13   2.185  -6.287  -5.453
  104    H    CYS  14           H        CYS  14   4.017  -4.667  -5.201
  105    HA   CYS  14           HA       CYS  14   4.586  -2.087  -4.083
  106   1HB   CYS  14          2HB       CYS  14   5.215  -2.953  -6.893
  107   2HB   CYS  14          1HB       CYS  14   6.086  -1.809  -5.882
  108    H    CYS  15           H        CYS  15   4.544  -0.180  -5.739
  109    HA   CYS  15           HA       CYS  15   1.735   0.171  -6.486
  110   1HB   CYS  15          2HB       CYS  15   4.030   2.019  -5.946
  111   2HB   CYS  15          1HB       CYS  15   2.617   2.590  -6.821
  112    H    CYS  16           H        CYS  16   1.333  -0.577  -8.479
  113    HA   CYS  16           HA       CYS  16   2.926  -1.061 -10.594
  114   1HB   CYS  16          2HB       CYS  16   0.950  -0.373 -12.060
  115   2HB   CYS  16          1HB       CYS  16   0.672  -1.614 -10.853
  116    HA   PRO  17           HA       PRO  17   2.920  -0.939 -12.789
  117   1HB   PRO  17          2HB       PRO  17   5.069  -0.660 -14.411
  118   2HB   PRO  17          1HB       PRO  17   3.479   0.025 -14.779
  119   1HG   PRO  17          2HG       PRO  17   5.929   1.365 -13.798
  120   2HG   PRO  17          1HG       PRO  17   4.637   1.989 -14.835
  121   1HD   PRO  17          2HD       PRO  17   4.935   2.528 -12.120
  122   2HD   PRO  17          1HD       PRO  17   3.454   2.769 -13.064
  123    H    MET  18           H        MET  18   4.936   0.218 -10.507
  124    HA   MET  18           HA       MET  18   7.210  -1.432 -10.586
  125   1HB   MET  18          2HB       MET  18   5.747  -0.146  -8.285
  126   2HB   MET  18          1HB       MET  18   7.317  -0.925  -8.142
  127   1HG   MET  18          2HG       MET  18   8.373   0.866  -8.974
  128   2HG   MET  18          1HG       MET  18   7.268   0.961 -10.340
  129   1HE   MET  18          1HE       MET  18   7.298   1.345  -6.502
  130   2HE   MET  18          3HE       MET  18   6.199   2.701  -6.206
  131   3HE   MET  18          2HE       MET  18   5.563   1.148  -6.747
  132    H    LYS  19           H        LYS  19   7.508  -3.506 -10.115
  133    HA   LYS  19           HA       LYS  19   5.488  -4.953  -8.539
  134   1HB   LYS  19          2HB       LYS  19   5.341  -5.185 -11.163
  135   2HB   LYS  19          1HB       LYS  19   6.692  -6.290 -10.924
  136   1HG   LYS  19          2HG       LYS  19   4.980  -7.122  -8.974
  137   2HG   LYS  19          1HG       LYS  19   3.847  -6.598 -10.217
  138   1HD   LYS  19          2HD       LYS  19   5.887  -8.054 -11.529
  139   2HD   LYS  19          1HD       LYS  19   5.425  -8.991 -10.110
  140   1HE   LYS  19          2HE       LYS  19   3.249  -7.829 -11.781
  141   2HE   LYS  19          1HE       LYS  19   4.130  -9.211 -12.425
  142   1HZ   LYS  19          3HZ       LYS  19   3.421  -9.598  -9.696
  143   2HZ   LYS  19          2HZ       LYS  19   2.050  -9.275 -10.646
  144   3HZ   LYS  19          1HZ       LYS  19   3.079 -10.567 -11.045
  145    H    CYS  20           H        CYS  20   6.302  -6.868  -7.530
  146    HA   CYS  20           HA       CYS  20   8.930  -6.614  -6.524
  147   1HB   CYS  20          2HB       CYS  20   7.243  -7.718  -5.215
  148   2HB   CYS  20          1HB       CYS  20   6.986  -8.923  -6.470
  149    H    VAL  21           H        VAL  21  10.779  -7.113  -7.451
  150    HA   VAL  21           HA       VAL  21  10.817  -9.130  -9.608
  151    HB   VAL  21           HB       VAL  21  12.550  -6.696  -9.190
  152   1HG1  VAL  21          2HG1      VAL  21  12.732  -8.977 -11.132
  153   2HG1  VAL  21          1HG1      VAL  21  13.368  -7.381 -11.534
  154   3HG1  VAL  21          3HG1      VAL  21  14.002  -8.258 -10.141
  155   1HG2  VAL  21          1HG2      VAL  21  10.156  -6.459 -10.098
  156   2HG2  VAL  21          3HG2      VAL  21  11.461  -5.739 -11.044
  157   3HG2  VAL  21          2HG2      VAL  21  10.758  -7.281 -11.538
  158    H    TYR  22           H        TYR  22  12.772 -10.408  -9.773
  159    HA   TYR  22           HA       TYR  22  13.991 -10.899  -7.128
  160   1HB   TYR  22          2HB       TYR  22  12.605 -12.686  -8.376
  161   2HB   TYR  22          1HB       TYR  22  14.006 -12.824  -9.431
  162    HD1  TYR  22           HD2      TYR  22  16.318 -12.902  -7.969
  163    HD2  TYR  22           HD1      TYR  22  12.467 -14.246  -6.709
  164    HE1  TYR  22           HE2      TYR  22  17.378 -14.417  -6.338
  165    HE2  TYR  22           HE1      TYR  22  13.531 -15.758  -5.079
  166    HH   TYR  22           HH       TYR  22  15.438 -16.576  -4.296
  167    H    ALA  23           H        ALA  23  16.131 -10.696  -6.873
  168    HA   ALA  23           HA       ALA  23  17.724  -9.866  -9.192
  169   1HB   ALA  23          3HB       ALA  23  18.145  -9.647  -6.210
  170   2HB   ALA  23          2HB       ALA  23  19.409  -9.260  -7.380
  171   3HB   ALA  23          1HB       ALA  23  17.901  -8.342  -7.372
  172    H    TRP  24           H        TRP  24  19.397 -11.190  -6.488
  173    HA   TRP  24           HA       TRP  24  19.629 -13.860  -7.571
  174   1HB   TRP  24          2HB       TRP  24  22.272 -13.378  -7.417
  175   2HB   TRP  24          1HB       TRP  24  21.356 -13.282  -8.913
  176    HD1  TRP  24           HD1      TRP  24  20.329 -10.588  -9.362
  177    HE1  TRP  24           HE1      TRP  24  21.667  -8.431  -9.100
  178    HE3  TRP  24           HE3      TRP  24  24.124 -12.246  -6.347
  179    HZ2  TRP  24           HZ2      TRP  24  23.990  -7.514  -7.825
  180    HZ3  TRP  24           HZ3      TRP  24  25.878 -10.668  -5.646
  181    HH2  TRP  24           HH2      TRP  24  25.814  -8.321  -6.376
  182    H    TYR  25           H        TYR  25  21.838 -11.890  -5.628
  183    HA   TYR  25           HA       TYR  25  21.780 -13.826  -3.497
  184   1HB   TYR  25          2HB       TYR  25  23.629 -12.744  -2.662
  185   2HB   TYR  25          1HB       TYR  25  23.771 -12.379  -4.374
  186    HD1  TYR  25           HD2      TYR  25  22.671 -10.143  -5.152
  187    HD2  TYR  25           HD1      TYR  25  23.707 -11.032  -1.108
  188    HE1  TYR  25           HE2      TYR  25  22.691  -7.735  -4.625
  189    HE2  TYR  25           HE1      TYR  25  23.724  -8.623  -0.585
  190    HH   TYR  25           HH       TYR  25  22.345  -6.423  -1.992
  191    H    ASN  26           H        ASN  26  19.623 -11.611  -4.386
  192    HA   ASN  26           HA       ASN  26  18.825 -10.989  -1.612
  193   1HB   ASN  26          2HB       ASN  26  19.224  -9.194  -3.915
  194   2HB   ASN  26          1HB       ASN  26  17.711  -8.960  -3.040
  195   1HD2  ASN  26          2HD2      ASN  26  21.283  -8.348  -1.121
  196   2HD2  ASN  26          1HD2      ASN  26  21.179  -9.419  -2.470
  197    H    GLU  27           H        GLU  27  17.572 -12.990  -1.889
  198    HA   GLU  27           HA       GLU  27  15.586 -13.335  -3.849
  199   1HB   GLU  27          2HB       GLU  27  16.303 -15.177  -2.449
  200   2HB   GLU  27          1HB       GLU  27  15.713 -14.352  -1.007
  201   1HG   GLU  27          2HG       GLU  27  13.417 -14.453  -1.896
  202   2HG   GLU  27          1HG       GLU  27  14.012 -15.292  -3.329
  203    H    GLN  28           H        GLN  28  15.780 -11.142  -1.261
  204    HA   GLN  28           HA       GLN  28  13.037 -10.852  -0.614
  205   1HB   GLN  28          2HB       GLN  28  13.725  -8.714   0.363
  206   2HB   GLN  28          1HB       GLN  28  14.813 -10.014   0.831
  207   1HG   GLN  28          2HG       GLN  28  16.302  -9.277  -1.097
  208   2HG   GLN  28          1HG       GLN  28  15.288  -7.836  -1.203
  209   1HE2  GLN  28          2HE2      GLN  28  18.125  -8.151   1.635
  210   2HE2  GLN  28          1HE2      GLN  28  17.880  -9.330   0.395
  211    H    GLY  29           H        GLY  29  14.706 -10.185  -3.444
  212   1HA   GLY  29          2HA       GLY  29  14.273  -8.923  -5.321
  213   2HA   GLY  29          1HA       GLY  29  12.586  -9.243  -4.917
  214    H    SER  30           H        SER  30  12.719  -7.006  -6.103
  215    HA   SER  30           HA       SER  30  12.257  -5.001  -4.059
  216   1HB   SER  30          2HB       SER  30  13.672  -3.356  -5.483
  217   2HB   SER  30          1HB       SER  30  14.469  -4.393  -4.311
  218    HG   SER  30           HG       SER  30  14.788  -4.284  -6.994
  219    H    CYS  31           H        CYS  31  11.103  -3.191  -4.835
  220    HA   CYS  31           HA       CYS  31   9.299  -3.841  -6.986
  221   1HB   CYS  31          2HB       CYS  31   9.517  -1.384  -5.247
  222   2HB   CYS  31          1HB       CYS  31   8.194  -1.742  -6.341
  223    H    GLN  32           H        GLN  32   9.628  -3.335  -9.049
  224    HA   GLN  32           HA       GLN  32  10.892  -0.804  -9.763
  225   1HB   GLN  32          2HB       GLN  32  12.006  -3.490 -10.572
  226   2HB   GLN  32          1HB       GLN  32  12.433  -1.972 -11.361
  227   1HG   GLN  32          2HG       GLN  32  13.329  -1.094  -9.283
  228   2HG   GLN  32          1HG       GLN  32  12.792  -2.529  -8.409
  229   1HE2  GLN  32          2HE2      GLN  32  16.196  -3.425  -8.912
  230   2HE2  GLN  32          1HE2      GLN  32  15.111  -2.615  -7.838
  231    H    SER  33           H        SER  33  10.242  -0.025 -11.725
  232    HA   SER  33           HA       SER  33   7.811  -0.952 -12.805
  233   1HB   SER  33          2HB       SER  33   7.984   0.831 -14.312
  234   2HB   SER  33          1HB       SER  33   8.869   1.393 -12.900
  235    HG   SER  33           HG       SER  33   9.984   1.694 -14.952
  236    H    THR  34           H        THR  34   7.726  -2.942 -13.684
  237    HA   THR  34           HA       THR  34   9.848  -3.905 -15.418
  238    HB   THR  34           HB       THR  34   8.695  -6.017 -15.353
  239    HG1  THR  34           HG1      THR  34   6.655  -4.766 -13.837
  240   1HG2  THR  34          2HG2      THR  34   9.686  -4.684 -13.093
  241   2HG2  THR  34          1HG2      THR  34   8.218  -5.506 -12.559
  242   3HG2  THR  34          3HG2      THR  34   9.517  -6.426 -13.321
  243    H    ILE  35           H        ILE  35   9.481  -4.612 -17.572
  244    HA   ILE  35           HA       ILE  35   7.923  -2.878 -19.157
  245    HB   ILE  35           HB       ILE  35   8.822  -5.594 -20.057
  246   1HG1  ILE  35          2HG1      ILE  35  10.855  -3.706 -20.589
  247   2HG1  ILE  35          1HG1      ILE  35  10.463  -3.564 -18.877
  248   1HG2  ILE  35          2HG2      ILE  35   7.500  -4.033 -21.544
  249   2HG2  ILE  35          1HG2      ILE  35   8.898  -2.956 -21.509
  250   3HG2  ILE  35          3HG2      ILE  35   9.051  -4.578 -22.188
  251   1HD1  ILE  35          3HD1      ILE  35  10.715  -6.033 -18.660
  252   2HD1  ILE  35          2HD1      ILE  35  11.226  -6.095 -20.349
  253   3HD1  ILE  35          1HD1      ILE  35  12.204  -5.230 -19.161
  254    H    SER  36           H        SER  36   7.319  -6.059 -17.807
  255    HA   SER  36           HA       SER  36   4.990  -6.695 -19.278
  256   1HB   SER  36          2HB       SER  36   4.687  -8.433 -17.739
  257   2HB   SER  36          1HB       SER  36   6.429  -8.190 -17.743
  258    HG   SER  36           HG       SER  36   5.696  -8.272 -15.604
  259    H    ALA  37           H        ALA  37   5.636  -4.664 -16.540
  260    HA   ALA  37           HA       ALA  37   3.022  -4.385 -15.517
  261   1HB   ALA  37          1HB       ALA  37   5.124  -3.666 -14.365
  262   2HB   ALA  37          3HB       ALA  37   5.233  -2.322 -15.503
  263   3HB   ALA  37          2HB       ALA  37   3.868  -2.425 -14.387
  264    H    LEU  38           H        LEU  38   4.466  -3.320 -18.408
  265    HA   LEU  38           HA       LEU  38   3.074  -0.931 -18.925
  266   1HB   LEU  38          2HB       LEU  38   4.228  -3.044 -20.739
  267   2HB   LEU  38          1HB       LEU  38   3.513  -1.552 -21.339
  268    HG   LEU  38           HG       LEU  38   5.864  -1.787 -19.463
  269   1HD1  LEU  38          3HD1      LEU  38   6.329  -2.349 -21.833
  270   2HD1  LEU  38          2HD1      LEU  38   5.747  -0.749 -22.296
  271   3HD1  LEU  38          1HD1      LEU  38   7.184  -0.906 -21.283
  272   1HD2  LEU  38          1HD2      LEU  38   4.022   0.368 -19.902
  273   2HD2  LEU  38          3HD2      LEU  38   5.422   0.305 -18.827
  274   3HD2  LEU  38          2HD2      LEU  38   5.617   0.828 -20.502
  275    H    TRP  39           H        TRP  39   2.271  -4.318 -19.444
  276    HA   TRP  39           HA       TRP  39  -0.065  -3.978 -20.974
  277   1HB   TRP  39          2HB       TRP  39   0.119  -6.182 -18.972
  278   2HB   TRP  39          1HB       TRP  39  -0.441  -6.226 -20.637
  279    HD1  TRP  39           HD1      TRP  39   1.827  -8.241 -19.350
  280    HE1  TRP  39           HE1      TRP  39   4.092  -8.353 -20.524
  281    HE3  TRP  39           HE3      TRP  39   1.708  -3.831 -21.955
  282    HZ2  TRP  39           HZ2      TRP  39   5.645  -6.831 -22.297
  283    HZ3  TRP  39           HZ3      TRP  39   3.623  -3.222 -23.376
  284    HH2  TRP  39           HH2      TRP  39   5.576  -4.707 -23.548
  285    H    LYS  40           H        LYS  40   0.642  -3.456 -17.661
  286    HA   LYS  40           HA       LYS  40  -2.205  -2.884 -17.110
  287   1HB   LYS  40          2HB       LYS  40  -1.627  -3.407 -14.707
  288   2HB   LYS  40          1HB       LYS  40  -1.642  -4.792 -15.796
  289   1HG   LYS  40          2HG       LYS  40   0.860  -4.465 -16.048
  290   2HG   LYS  40          1HG       LYS  40   0.759  -3.311 -14.721
  291   1HD   LYS  40          2HD       LYS  40  -0.629  -5.641 -13.903
  292   2HD   LYS  40          1HD       LYS  40   0.895  -6.171 -14.609
  293   1HE   LYS  40          2HE       LYS  40   0.931  -3.872 -12.705
  294   2HE   LYS  40          1HE       LYS  40   0.725  -5.497 -12.055
  295   1HZ   LYS  40          3HZ       LYS  40   2.778  -5.632 -13.906
  296   2HZ   LYS  40          2HZ       LYS  40   3.073  -4.239 -12.981
  297   3HZ   LYS  40          1HZ       LYS  40   2.900  -5.747 -12.219
  298    H    LYS  41           H        LYS  41  -0.390  -1.066 -18.242
  299    HA   LYS  41           HA       LYS  41   1.150   0.608 -16.849
  300   1HB   LYS  41          2HB       LYS  41  -0.647   0.909 -19.065
  301   2HB   LYS  41          1HB       LYS  41  -0.695   2.359 -18.065
  302   1HG   LYS  41          2HG       LYS  41   1.879   1.082 -18.992
  303   2HG   LYS  41          1HG       LYS  41   1.053   2.347 -19.899
  304   1HD   LYS  41          2HD       LYS  41   1.420   3.953 -18.228
  305   2HD   LYS  41          1HD       LYS  41   1.747   2.733 -17.000
  306   1HE   LYS  41          2HE       LYS  41   3.907   2.368 -17.745
  307   2HE   LYS  41          1HE       LYS  41   3.545   2.908 -19.382
  308   1HZ   LYS  41          3HZ       LYS  41   3.107   5.125 -17.910
  309   2HZ   LYS  41          2HZ       LYS  41   4.418   4.416 -17.095
  310   3HZ   LYS  41          1HZ       LYS  41   4.540   4.781 -18.750
  311    H    CYS  42           HN       CYS  42   1.037   1.255 -14.827
  312    HA   CYS  42           HA       CYS  42  -1.265   1.404 -13.237
  313   1HB   CYS  42          2HB       CYS  42   1.235   1.334 -12.593
  314   2HB   CYS  42          1HB       CYS  42   1.177   3.079 -12.755
   
  No H/Q in entry =         314
  Start of MODEL   20
    1   1H    CYS   1          1H        CYS   1   1.929  -0.320   0.807
    2   2H    CYS   1          3H        CYS   1   0.765   0.675   0.078
    3   3H    CYS   1          2H        CYS   1   0.636  -1.014  -0.048
    4    HA   CYS   1           HA       CYS   1   2.047  -1.148  -1.744
    5   1HB   CYS   1          2HB       CYS   1   0.508   0.898  -2.178
    6   2HB   CYS   1          1HB       CYS   1   1.965   1.843  -1.908
    7    H    ALA   2           H        ALA   2   4.111  -0.372  -2.790
    8    HA   ALA   2           HA       ALA   2   6.000   0.755  -0.830
    9   1HB   ALA   2          2HB       ALA   2   5.948  -1.952  -1.855
   10   2HB   ALA   2          1HB       ALA   2   7.453  -1.136  -2.288
   11   3HB   ALA   2          3HB       ALA   2   6.967  -1.251  -0.595
   12    H    LYS   3           H        LYS   3   8.072   1.401  -1.901
   13    HA   LYS   3           HA       LYS   3   7.483   2.568  -4.543
   14   1HB   LYS   3          2HB       LYS   3   9.268   3.384  -2.270
   15   2HB   LYS   3          1HB       LYS   3   9.552   3.992  -3.899
   16   1HG   LYS   3          2HG       LYS   3   8.180   5.621  -2.898
   17   2HG   LYS   3          1HG       LYS   3   7.078   4.669  -3.888
   18   1HD   LYS   3          2HD       LYS   3   6.968   3.296  -1.546
   19   2HD   LYS   3          1HD       LYS   3   7.241   4.933  -0.953
   20   1HE   LYS   3          2HE       LYS   3   5.221   4.717  -3.083
   21   2HE   LYS   3          1HE       LYS   3   4.796   3.899  -1.583
   22   1HZ   LYS   3          1HZ       LYS   3   5.279   5.981  -0.402
   23   2HZ   LYS   3          3HZ       LYS   3   5.567   6.748  -1.886
   24   3HZ   LYS   3          2HZ       LYS   3   4.019   6.149  -1.528
   25    H    LYS   4           H        LYS   4   9.624   2.949  -5.822
   26    HA   LYS   4           HA       LYS   4  10.650   0.398  -6.525
   27   1HB   LYS   4          2HB       LYS   4  11.511   3.196  -7.263
   28   2HB   LYS   4          1HB       LYS   4  12.221   1.741  -7.960
   29   1HG   LYS   4          2HG       LYS   4  10.351   1.247  -9.184
   30   2HG   LYS   4          1HG       LYS   4   9.258   1.966  -8.004
   31   1HD   LYS   4          2HD       LYS   4   9.145   3.433  -9.829
   32   2HD   LYS   4          1HD       LYS   4  10.278   4.219  -8.732
   33   1HE   LYS   4          2HE       LYS   4  11.835   4.209 -10.330
   34   2HE   LYS   4          1HE       LYS   4  11.761   2.451 -10.397
   35   1HZ   LYS   4          1HZ       LYS   4   9.704   4.026 -11.776
   36   2HZ   LYS   4          3HZ       LYS   4  11.235   3.871 -12.487
   37   3HZ   LYS   4          2HZ       LYS   4  10.315   2.484 -12.147
   38    H    ARG   5           H        ARG   5  12.651  -0.516  -6.179
   39    HA   ARG   5           HA       ARG   5  14.730  -0.862  -5.231
   40   1HB   ARG   5          2HB       ARG   5  14.527   1.874  -3.989
   41   2HB   ARG   5          1HB       ARG   5  15.981   0.932  -4.312
   42   1HG   ARG   5          2HG       ARG   5  16.162   1.966  -6.283
   43   2HG   ARG   5          1HG       ARG   5  14.652   1.208  -6.785
   44   1HD   ARG   5          2HD       ARG   5  13.493   3.132  -6.580
   45   2HD   ARG   5          1HD       ARG   5  14.264   3.535  -5.046
   46    HE   ARG   5           HE       ARG   5  15.697   4.903  -6.229
   47   1HH1  ARG   5          1HH2      ARG   5  14.514   2.372  -8.305
   48   2HH1  ARG   5          2HH2      ARG   5  15.191   3.055  -9.746
   49   1HH2  ARG   5          2HH1      ARG   5  16.527   5.857  -8.138
   50   2HH2  ARG   5          1HH1      ARG   5  16.335   5.036  -9.651
   51    H    ASN   6           H        ASN   6  11.883  -0.800  -3.865
   52    HA   ASN   6           HA       ASN   6  12.675  -0.896  -1.059
   53   1HB   ASN   6          2HB       ASN   6  10.049  -1.041  -2.520
   54   2HB   ASN   6          1HB       ASN   6  10.178  -1.436  -0.809
   55   1HD2  ASN   6          2HD2      ASN   6  10.996   2.407  -2.014
   56   2HD2  ASN   6          1HD2      ASN   6  11.320   1.068  -3.057
   57    H    TRP   7           H        TRP   7  13.353  -2.724  -0.161
   58    HA   TRP   7           HA       TRP   7  13.471  -5.197  -1.480
   59   1HB   TRP   7          2HB       TRP   7  13.911  -4.263   1.299
   60   2HB   TRP   7          1HB       TRP   7  13.713  -5.992   1.040
   61    HD1  TRP   7           HD1      TRP   7  15.278  -5.824  -1.940
   62    HE1  TRP   7           HE1      TRP   7  17.827  -5.703  -1.850
   63    HE3  TRP   7           HE3      TRP   7  15.922  -4.253   2.877
   64    HZ2  TRP   7           HZ2      TRP   7  19.861  -5.045  -0.028
   65    HZ3  TRP   7           HZ3      TRP   7  18.204  -3.893   3.741
   66    HH2  TRP   7           HH2      TRP   7  20.159  -4.286   2.300
   67    H    CYS   8           H        CYS   8  12.109  -6.854  -1.655
   68    HA   CYS   8           HA       CYS   8   9.376  -6.565  -0.757
   69   1HB   CYS   8          2HB       CYS   8  10.807  -8.045  -2.764
   70   2HB   CYS   8          1HB       CYS   8   9.787  -9.133  -1.834
   71    H    GLY   9           H        GLY   9  10.920  -6.690   1.489
   72   1HA   GLY   9          2HA       GLY   9  11.687  -8.967   2.710
   73   2HA   GLY   9          1HA       GLY   9  10.741  -7.742   3.557
   74    H    LYS  10           H        LYS  10   8.569  -8.074   3.930
   75    HA   LYS  10           HA       LYS  10   7.472 -10.693   3.111
   76   1HB   LYS  10          2HB       LYS  10   8.163 -10.556   5.538
   77   2HB   LYS  10          1HB       LYS  10   6.917  -9.329   5.744
   78   1HG   LYS  10          2HG       LYS  10   5.430 -11.204   4.558
   79   2HG   LYS  10          1HG       LYS  10   6.647 -12.256   5.278
   80   1HD   LYS  10          2HD       LYS  10   5.071 -12.144   6.972
   81   2HD   LYS  10          1HD       LYS  10   6.180 -10.856   7.438
   82   1HE   LYS  10          2HE       LYS  10   4.096  -9.945   5.609
   83   2HE   LYS  10          1HE       LYS  10   3.444 -10.607   7.105
   84   1HZ   LYS  10          2HZ       LYS  10   5.600  -8.573   7.015
   85   2HZ   LYS  10          1HZ       LYS  10   3.950  -8.186   7.155
   86   3HZ   LYS  10          3HZ       LYS  10   4.715  -9.085   8.373
   87    H    THR  11           H        THR  11   6.891  -8.872   1.409
   88    HA   THR  11           HA       THR  11   4.108  -8.145   1.976
   89    HB   THR  11           HB       THR  11   6.238  -6.242   1.011
   90    HG1  THR  11           HG1      THR  11   4.587  -6.441   3.281
   91   1HG2  THR  11          2HG2      THR  11   4.053  -6.170  -0.301
   92   2HG2  THR  11          1HG2      THR  11   3.299  -5.628   1.201
   93   3HG2  THR  11          3HG2      THR  11   4.576  -4.665   0.456
   94    H    GLU  12           H        GLU  12   2.797  -8.086   0.154
   95    HA   GLU  12           HA       GLU  12   4.048  -8.936  -2.384
   96   1HB   GLU  12          2HB       GLU  12   1.992 -10.247  -0.772
   97   2HB   GLU  12          1HB       GLU  12   1.510 -10.006  -2.449
   98   1HG   GLU  12          2HG       GLU  12   2.818 -11.695  -3.105
   99   2HG   GLU  12          1HG       GLU  12   4.227 -10.935  -2.365
  100    H    ASP  13           H        ASP  13   3.862  -6.431  -2.495
  101    HA   ASP  13           HA       ASP  13   1.906  -5.769  -4.383
  102   1HB   ASP  13          2HB       ASP  13   0.452  -5.985  -2.313
  103   2HB   ASP  13          1HB       ASP  13   1.271  -4.545  -1.705
  104    H    CYS  14           H        CYS  14   2.703  -4.135  -5.499
  105    HA   CYS  14           HA       CYS  14   4.336  -2.083  -4.129
  106   1HB   CYS  14          2HB       CYS  14   4.851  -3.207  -6.891
  107   2HB   CYS  14          1HB       CYS  14   5.786  -1.960  -6.082
  108    H    CYS  15           H        CYS  15   4.619  -0.187  -5.849
  109    HA   CYS  15           HA       CYS  15   1.883   0.573  -6.566
  110   1HB   CYS  15          2HB       CYS  15   4.437   2.095  -6.155
  111   2HB   CYS  15          1HB       CYS  15   3.041   2.839  -6.919
  112    H    CYS  16           H        CYS  16   1.429  -0.345  -8.504
  113    HA   CYS  16           HA       CYS  16   2.934  -0.986 -10.636
  114   1HB   CYS  16          2HB       CYS  16   0.962  -0.224 -12.085
  115   2HB   CYS  16          1HB       CYS  16   0.660  -1.431 -10.849
  116    HA   PRO  17           HA       PRO  17   2.908  -0.963 -12.831
  117   1HB   PRO  17          2HB       PRO  17   5.074  -0.882 -14.454
  118   2HB   PRO  17          1HB       PRO  17   3.522  -0.132 -14.861
  119   1HG   PRO  17          2HG       PRO  17   6.037   1.123 -13.923
  120   2HG   PRO  17          1HG       PRO  17   4.793   1.758 -15.012
  121   1HD   PRO  17          2HD       PRO  17   5.082   2.443 -12.336
  122   2HD   PRO  17          1HD       PRO  17   3.612   2.676 -13.304
  123    H    MET  18           H        MET  18   5.010   0.182 -10.600
  124    HA   MET  18           HA       MET  18   7.203  -1.537 -10.580
  125   1HB   MET  18          2HB       MET  18   5.665  -0.291  -8.301
  126   2HB   MET  18          1HB       MET  18   7.219  -1.095  -8.121
  127   1HG   MET  18          2HG       MET  18   8.367   0.623  -9.049
  128   2HG   MET  18          1HG       MET  18   7.106   0.963 -10.227
  129   1HE   MET  18          3HE       MET  18   6.250   0.473  -6.580
  130   2HE   MET  18          2HE       MET  18   7.784   1.268  -6.226
  131   3HE   MET  18          1HE       MET  18   6.268   2.090  -5.861
  132    H    LYS  19           H        LYS  19   7.428  -3.641 -10.197
  133    HA   LYS  19           HA       LYS  19   5.288  -5.083  -8.770
  134   1HB   LYS  19          2HB       LYS  19   5.255  -5.294 -11.350
  135   2HB   LYS  19          1HB       LYS  19   6.689  -6.293 -11.133
  136   1HG   LYS  19          2HG       LYS  19   5.073  -7.410  -9.287
  137   2HG   LYS  19          1HG       LYS  19   3.864  -6.850 -10.440
  138   1HD   LYS  19          2HD       LYS  19   5.906  -8.021 -11.978
  139   2HD   LYS  19          1HD       LYS  19   5.647  -9.111 -10.618
  140   1HE   LYS  19          2HE       LYS  19   3.672  -9.797 -11.431
  141   2HE   LYS  19          1HE       LYS  19   3.139  -8.146 -11.727
  142   1HZ   LYS  19          1HZ       LYS  19   4.422  -8.153 -13.783
  143   2HZ   LYS  19          3HZ       LYS  19   4.894  -9.757 -13.497
  144   3HZ   LYS  19          2HZ       LYS  19   3.259  -9.391 -13.774
  145    H    CYS  20           H        CYS  20   5.987  -6.574  -7.337
  146    HA   CYS  20           HA       CYS  20   8.556  -6.536  -6.305
  147   1HB   CYS  20          2HB       CYS  20   6.539  -7.478  -5.186
  148   2HB   CYS  20          1HB       CYS  20   6.653  -8.880  -6.241
  149    H    VAL  21           H        VAL  21  10.282  -6.833  -7.589
  150    HA   VAL  21           HA       VAL  21  10.353  -9.177  -9.372
  151    HB   VAL  21           HB       VAL  21  12.115  -6.731  -9.287
  152   1HG1  VAL  21          2HG1      VAL  21  12.081  -9.167 -11.039
  153   2HG1  VAL  21          1HG1      VAL  21  12.715  -7.629 -11.629
  154   3HG1  VAL  21          3HG1      VAL  21  13.446  -8.402 -10.222
  155   1HG2  VAL  21          3HG2      VAL  21   9.535  -7.266 -10.517
  156   2HG2  VAL  21          2HG2      VAL  21  10.406  -5.740 -10.345
  157   3HG2  VAL  21          1HG2      VAL  21  10.753  -6.807 -11.708
  158    H    TYR  22           H        TYR  22  12.512 -10.242  -9.564
  159    HA   TYR  22           HA       TYR  22  13.695 -10.609  -6.882
  160   1HB   TYR  22          2HB       TYR  22  12.598 -12.584  -7.843
  161   2HB   TYR  22          1HB       TYR  22  13.629 -12.470  -9.263
  162    HD1  TYR  22           HD2      TYR  22  16.131 -12.730  -8.955
  163    HD2  TYR  22           HD1      TYR  22  13.303 -13.710  -5.914
  164    HE1  TYR  22           HE2      TYR  22  17.828 -14.110  -7.819
  165    HE2  TYR  22           HE1      TYR  22  15.003 -15.091  -4.784
  166    HH   TYR  22           HH       TYR  22  17.101 -15.791  -4.778
  167    H    ALA  23           H        ALA  23  16.007 -11.101  -6.822
  168    HA   ALA  23           HA       ALA  23  17.499  -9.830  -9.031
  169   1HB   ALA  23          1HB       ALA  23  18.030  -9.640  -6.059
  170   2HB   ALA  23          3HB       ALA  23  19.105  -9.020  -7.313
  171   3HB   ALA  23          2HB       ALA  23  17.490  -8.335  -7.118
  172    H    TRP  24           H        TRP  24  19.308 -11.008  -6.364
  173    HA   TRP  24           HA       TRP  24  19.577 -13.722  -7.196
  174   1HB   TRP  24          2HB       TRP  24  22.145 -13.223  -7.680
  175   2HB   TRP  24          1HB       TRP  24  20.934 -13.237  -8.954
  176    HD1  TRP  24           HD1      TRP  24  19.929 -10.648  -9.607
  177    HE1  TRP  24           HE1      TRP  24  21.248  -8.467  -9.724
  178    HE3  TRP  24           HE3      TRP  24  24.034 -11.935  -6.831
  179    HZ2  TRP  24           HZ2      TRP  24  23.671  -7.398  -8.802
  180    HZ3  TRP  24           HZ3      TRP  24  25.824 -10.279  -6.491
  181    HH2  TRP  24           HH2      TRP  24  25.647  -8.029  -7.467
  182    H    TYR  25           H        TYR  25  21.899 -11.337  -5.953
  183    HA   TYR  25           HA       TYR  25  22.685 -12.985  -3.772
  184   1HB   TYR  25          2HB       TYR  25  24.144 -11.256  -3.196
  185   2HB   TYR  25          1HB       TYR  25  24.014 -11.130  -4.942
  186    HD1  TYR  25           HD2      TYR  25  22.932  -9.666  -1.732
  187    HD2  TYR  25           HD1      TYR  25  23.060  -9.206  -5.973
  188    HE1  TYR  25           HE2      TYR  25  22.213  -7.319  -1.502
  189    HE2  TYR  25           HE1      TYR  25  22.342  -6.860  -5.739
  190    HH   TYR  25           HH       TYR  25  21.269  -5.556  -2.706
  191    H    ASN  26           H        ASN  26  19.930 -11.195  -4.301
  192    HA   ASN  26           HA       ASN  26  19.265 -11.200  -1.446
  193   1HB   ASN  26          2HB       ASN  26  18.263  -8.964  -1.629
  194   2HB   ASN  26          1HB       ASN  26  19.996  -8.913  -1.956
  195   1HD2  ASN  26          2HD2      ASN  26  19.653  -8.155  -5.394
  196   2HD2  ASN  26          1HD2      ASN  26  20.673  -8.869  -4.197
  197    H    GLU  27           H        GLU  27  17.988 -13.017  -1.955
  198    HA   GLU  27           HA       GLU  27  16.110 -13.220  -4.009
  199   1HB   GLU  27          2HB       GLU  27  16.597 -15.202  -2.855
  200   2HB   GLU  27          1HB       GLU  27  16.302 -14.466  -1.282
  201   1HG   GLU  27          2HG       GLU  27  13.996 -14.609  -1.498
  202   2HG   GLU  27          1HG       GLU  27  14.058 -14.641  -3.259
  203    H    GLN  28           H        GLN  28  16.070 -11.275  -1.193
  204    HA   GLN  28           HA       GLN  28  13.306 -11.053  -0.727
  205   1HB   GLN  28          2HB       GLN  28  13.852  -9.032   0.472
  206   2HB   GLN  28          1HB       GLN  28  15.073 -10.251   0.811
  207   1HG   GLN  28          2HG       GLN  28  16.484  -9.193  -0.994
  208   2HG   GLN  28          1HG       GLN  28  15.304  -7.883  -1.051
  209   1HE2  GLN  28          2HE2      GLN  28  18.183  -7.801   1.677
  210   2HE2  GLN  28          1HE2      GLN  28  18.169  -8.789   0.260
  211    H    GLY  29           H        GLY  29  15.140 -10.105  -3.397
  212   1HA   GLY  29          2HA       GLY  29  14.797  -8.628  -5.147
  213   2HA   GLY  29          1HA       GLY  29  13.143  -9.228  -5.014
  214    H    SER  30           H        SER  30  12.740  -6.984  -5.861
  215    HA   SER  30           HA       SER  30  11.848  -5.301  -3.713
  216   1HB   SER  30          2HB       SER  30  13.148  -3.292  -4.718
  217   2HB   SER  30          1HB       SER  30  13.961  -4.362  -3.585
  218    HG   SER  30           HG       SER  30  14.089  -4.523  -6.432
  219    H    CYS  31           H        CYS  31  10.646  -3.431  -4.507
  220    HA   CYS  31           HA       CYS  31   9.017  -4.093  -6.743
  221   1HB   CYS  31          2HB       CYS  31   9.251  -1.513  -5.192
  222   2HB   CYS  31          1HB       CYS  31   7.974  -1.900  -6.329
  223    H    GLN  32           H        GLN  32   9.513  -3.821  -8.810
  224    HA   GLN  32           HA       GLN  32  10.892  -1.392  -9.681
  225   1HB   GLN  32          2HB       GLN  32  11.924  -4.189 -10.076
  226   2HB   GLN  32          1HB       GLN  32  12.337  -2.890 -11.194
  227   1HG   GLN  32          2HG       GLN  32  13.303  -1.590  -9.368
  228   2HG   GLN  32          1HG       GLN  32  12.826  -2.828  -8.207
  229   1HE2  GLN  32          2HE2      GLN  32  16.121  -3.990  -8.618
  230   2HE2  GLN  32          1HE2      GLN  32  15.024  -3.109  -7.615
  231    H    SER  33           H        SER  33  10.080  -0.639 -11.549
  232    HA   SER  33           HA       SER  33   7.732  -1.603 -12.675
  233   1HB   SER  33          2HB       SER  33   8.522  -0.183 -14.697
  234   2HB   SER  33          1HB       SER  33   8.210   0.618 -13.163
  235    HG   SER  33           HG       SER  33  10.789  -0.364 -13.783
  236    H    THR  34           H        THR  34   7.441  -2.351 -14.951
  237    HA   THR  34           HA       THR  34   9.605  -3.924 -16.073
  238    HB   THR  34           HB       THR  34   8.068  -5.938 -16.185
  239    HG1  THR  34           HG1      THR  34   6.727  -4.407 -14.209
  240   1HG2  THR  34          1HG2      THR  34  10.029  -5.485 -14.535
  241   2HG2  THR  34          3HG2      THR  34   8.745  -5.307 -13.338
  242   3HG2  THR  34          2HG2      THR  34   8.926  -6.826 -14.220
  243    H    ILE  35           H        ILE  35   9.238  -4.557 -18.234
  244    HA   ILE  35           HA       ILE  35   7.762  -2.741 -19.790
  245    HB   ILE  35           HB       ILE  35   9.038  -5.394 -20.377
  246   1HG1  ILE  35          2HG1      ILE  35  10.414  -3.363 -19.845
  247   2HG1  ILE  35          1HG1      ILE  35  10.729  -4.078 -21.423
  248   1HG2  ILE  35          2HG2      ILE  35   7.421  -3.624 -22.176
  249   2HG2  ILE  35          1HG2      ILE  35   8.754  -4.584 -22.822
  250   3HG2  ILE  35          3HG2      ILE  35   7.397  -5.382 -22.024
  251   1HD1  ILE  35          3HD1      ILE  35   8.612  -2.117 -21.602
  252   2HD1  ILE  35          2HD1      ILE  35  10.058  -1.408 -20.879
  253   3HD1  ILE  35          1HD1      ILE  35  10.150  -2.177 -22.465
  254    H    SER  36           H        SER  36   7.036  -5.995 -18.636
  255    HA   SER  36           HA       SER  36   4.669  -6.395 -20.134
  256   1HB   SER  36          2HB       SER  36   4.308  -8.256 -18.761
  257   2HB   SER  36          1HB       SER  36   6.057  -8.086 -18.766
  258    HG   SER  36           HG       SER  36   4.240  -7.189 -16.759
  259    H    ALA  37           H        ALA  37   5.446  -4.541 -17.340
  260    HA   ALA  37           HA       ALA  37   2.877  -4.293 -16.179
  261   1HB   ALA  37          3HB       ALA  37   5.107  -3.670 -15.138
  262   2HB   ALA  37          2HB       ALA  37   5.054  -2.204 -16.120
  263   3HB   ALA  37          1HB       ALA  37   3.803  -2.502 -14.912
  264    H    LEU  38           H        LEU  38   4.213  -3.099 -19.065
  265    HA   LEU  38           HA       LEU  38   2.856  -0.654 -19.376
  266   1HB   LEU  38          2HB       LEU  38   3.868  -2.674 -21.375
  267   2HB   LEU  38          1HB       LEU  38   3.193  -1.114 -21.831
  268    HG   LEU  38           HG       LEU  38   5.639  -1.630 -20.148
  269   1HD1  LEU  38          3HD1      LEU  38   5.145  -0.815 -22.948
  270   2HD1  LEU  38          2HD1      LEU  38   6.438   0.036 -22.097
  271   3HD1  LEU  38          1HD1      LEU  38   6.486  -1.723 -22.248
  272   1HD2  LEU  38          1HD2      LEU  38   4.209   0.963 -20.750
  273   2HD2  LEU  38          3HD2      LEU  38   4.491   0.240 -19.166
  274   3HD2  LEU  38          2HD2      LEU  38   5.848   0.867 -20.104
  275    H    TRP  39           H        TRP  39   1.947  -3.993 -19.997
  276    HA   TRP  39           HA       TRP  39  -0.449  -3.511 -21.409
  277   1HB   TRP  39          2HB       TRP  39  -0.193  -5.841 -19.562
  278   2HB   TRP  39          1HB       TRP  39  -0.857  -5.770 -21.188
  279    HD1  TRP  39           HD1      TRP  39   1.441  -7.902 -20.202
  280    HE1  TRP  39           HE1      TRP  39   3.631  -7.959 -21.513
  281    HE3  TRP  39           HE3      TRP  39   1.261  -3.302 -22.450
  282    HZ2  TRP  39           HZ2      TRP  39   5.109  -6.328 -23.253
  283    HZ3  TRP  39           HZ3      TRP  39   3.104  -2.615 -23.931
  284    HH2  TRP  39           HH2      TRP  39   5.012  -4.114 -24.332
  285    H    LYS  40           H        LYS  40   0.436  -3.193 -18.117
  286    HA   LYS  40           HA       LYS  40  -2.362  -2.588 -17.389
  287   1HB   LYS  40          2HB       LYS  40  -1.733  -3.339 -15.069
  288   2HB   LYS  40          1HB       LYS  40  -1.811  -4.630 -16.267
  289   1HG   LYS  40          2HG       LYS  40   0.664  -4.430 -16.553
  290   2HG   LYS  40          1HG       LYS  40   0.680  -3.265 -15.232
  291   1HD   LYS  40          2HD       LYS  40  -0.661  -5.865 -14.720
  292   2HD   LYS  40          1HD       LYS  40   1.096  -5.885 -14.856
  293   1HE   LYS  40          2HE       LYS  40   0.709  -5.538 -12.567
  294   2HE   LYS  40          1HE       LYS  40   1.056  -3.926 -13.189
  295   1HZ   LYS  40          2HZ       LYS  40  -1.712  -4.934 -12.991
  296   2HZ   LYS  40          1HZ       LYS  40  -0.939  -4.215 -11.660
  297   3HZ   LYS  40          3HZ       LYS  40  -1.169  -3.327 -13.085
  298    H    LYS  41           H        LYS  41  -0.458  -0.789 -18.444
  299    HA   LYS  41           HA       LYS  41   1.178   0.687 -16.916
  300   1HB   LYS  41          2HB       LYS  41  -0.616   1.268 -19.115
  301   2HB   LYS  41          1HB       LYS  41  -0.429   2.659 -18.051
  302   1HG   LYS  41          2HG       LYS  41   2.012   1.141 -18.864
  303   2HG   LYS  41          1HG       LYS  41   1.263   2.221 -20.037
  304   1HD   LYS  41          2HD       LYS  41   1.787   4.107 -18.845
  305   2HD   LYS  41          1HD       LYS  41   1.710   3.277 -17.293
  306   1HE   LYS  41          2HE       LYS  41   3.832   2.026 -18.158
  307   2HE   LYS  41          1HE       LYS  41   3.958   3.380 -19.276
  308   1HZ   LYS  41          1HZ       LYS  41   3.467   4.448 -16.764
  309   2HZ   LYS  41          3HZ       LYS  41   4.662   3.263 -16.550
  310   3HZ   LYS  41          2HZ       LYS  41   4.908   4.524 -17.662
  311    H    CYS  42           HN       CYS  42   1.086   1.355 -14.910
  312    HA   CYS  42           HA       CYS  42  -1.165   1.477 -13.270
  313   1HB   CYS  42          2HB       CYS  42   1.323   1.461 -12.672
  314   2HB   CYS  42          1HB       CYS  42   1.271   3.198 -12.903

   
  No H/Q in entry =         314