*HEADER   NEUROTOXIN                              04-NOV-96   1AXH    
*TITLE    ATRACOTOXIN-HVI FROM HADRONYCHE VERSUTA (AUSTRALIAN         
*TITLE   2 FUNNEL-WEB SPIDER, NMR, 20 STRUCTURES                      
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: ATRACOTOXIN-HVI;                                 
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: ACTX-HVI;                                         
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: MADE USING TBOC SOLID-PHASE PEPTIDE SYNTHESIS;  
*SOURCE  3 ORGANISM_SCIENTIFIC: HADRONYCHE VERSUTA;                   
*SOURCE  4 ORGANISM_COMMON: BLUE MOUNTAINS FUNNEL-WEB SPIDER          
*KEYWDS   NEUROTOXIN, INSECTICIDAL TOXIN, CYSTINE KNOT, FUNNEL-WEB    
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   J.I.FLETCHER,S.I.O'DONOGHUE,M.NILGES,G.F.KING               
*REVDAT  1   12-NOV-97 1AXH    0                                      
 

!! Dihedral-angle restraints used for  X-PLOR 3.1 refinement of atracotoxin-HVI

!! PHI RESTRAINTS (TOTAL = 27)

!!   3 Thr
 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 40.0 2
!!   4 Cys
 assign (resid   3 and name c )   (resid   4 and name n ) 
        (resid   4 and name ca)   (resid   4 and name c )  1.0 -100.0 80.0 2
!!   5 Ile
 assign (resid   4 and name c )   (resid   5 and name n ) 
        (resid   5 and name ca)   (resid   5 and name c )  1.0 -120.0 40.0 2
!!   7 Ser
 assign (resid   6 and name c )   (resid   7 and name n ) 
        (resid   7 and name ca)   (resid   7 and name c )  1.0 -65.0 25.0 2
!!   9 Gln
 assign (resid   8 and name c )   (resid   9 and name n ) 
        (resid   9 and name ca)   (resid   9 and name c )  1.0 -120.0 30.0 2
!!  11 Cys
 assign (resid   10 and name c )   (resid   11 and name n ) 
        (resid   11 and name ca)   (resid   11 and name c )  1.0 -120.0 20.0 2
!!  13 Tyr
 assign (resid   12 and name c )   (resid   13 and name n ) 
        (resid   13 and name ca)   (resid   13 and name c )  1.0 -100.0 80.0 2
!!  14 Asn
 assign (resid   13 and name c )   (resid   14 and name n ) 
        (resid   14 and name ca)   (resid   14 and name c )  1.0 -65.0 25.0 2
!!  15 Glu
 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 40.0 2
!!  16 Asn
 assign (resid   15 and name c )   (resid   16 and name n ) 
        (resid   16 and name ca)   (resid   16 and name c )  1.0 -120.0 30.0 2
!!  18 Cys
 assign (resid   17 and name c )   (resid   18 and name n ) 
        (resid   18 and name ca)   (resid   18 and name c )  1.0 -65.0 25.0 2
!!  19 Ser
 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 Ser
 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 30.0 2
!!  22 Cys
 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 20.0 2
!!  23 Thr
 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 Phe
 assign (resid   23 and name c )   (resid   24 and name n ) 
        (resid   24 and name ca)   (resid   24 and name c )  1.0 -120.0 30.0 2
!!  25 Lys
 assign (resid   24 and name c )   (resid   25 and name n ) 
        (resid   25 and name ca)   (resid   25 and name c )  1.0 -120.0 20.0 2
!!  26 Glu
 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
!!  27 Asn
 assign (resid   26 and name c )   (resid   27 and name n ) 
        (resid   27 and name ca)   (resid   27 and name c )  1.0 -100.0 80.0 2
!!  28 Glu
 assign (resid   27 and name c )   (resid   28 and name n ) 
        (resid   28 and name ca)   (resid   28 and name c )  1.0 -65.0 25.0 2
!!  29 Asn
 assign (resid   28 and name c )   (resid   29 and name n ) 
        (resid   29 and name ca)   (resid   29 and name c )  1.0 -100.0 80.0 2
!!  31 Asn
 assign (resid   30 and name c )   (resid   31 and name n ) 
        (resid   31 and name ca)   (resid   31 and name c )  1.0 -120.0 30.0 2
!!  32 Thr
 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 20.0 2
!!  33 Val
 assign (resid   32 and name c )   (resid   33 and name n ) 
        (resid   33 and name ca)   (resid   33 and name c )  1.0 -120.0 20.0 2
!!  34 Lys
 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 20.0 2
!!  35 Arg
 assign (resid   34 and name c )   (resid   35 and name n ) 
        (resid   35 and name ca)   (resid   35 and name c )  1.0 -120.0 20.0 2
!!  36 Cys
 assign (resid   35 and name c )   (resid   36 and name n ) 
        (resid   36 and name ca)   (resid   36 and name c )  1.0 -120.0 30.0 2

!!CHI1 RESTRAINTS (TOTAL = 16)

!!   3 Thr
 assign (resid 3 and name n)    (resid 3 and name ca)
        (resid 3 and name cb)   (resid 3 and name og1) 1.0 180.0 30.0 2
!!   4 Cys
 assign (resid 4 and name n)    (resid 4 and name ca)
        (resid 4 and name cb)   (resid 4 and name sg) 1.0 60.0 30.0 2
!!   5 Ile
 assign (resid 5 and name n)    (resid 5 and name ca)
        (resid 5 and name cb)   (resid 5 and name cg1) 1.0 -60.0 30.0 2
!!  11 Cys
 assign (resid 11 and name n)    (resid 11 and name ca)
        (resid 11 and name cb)   (resid 11 and name sg) 1.0 60.0 30.0 2
!!  13 Tyr
 assign (resid 13 and name n)    (resid 13 and name ca)
        (resid 13 and name cb)   (resid 13 and name cg) 1.0 -60.0 30.0 2
!!  14 Asn
 assign (resid 14 and name n)    (resid 14 and name ca)
        (resid 14 and name cb)   (resid 14 and name cg) 1.0 -60.0 30.0 2
!!  16 Asn
 assign (resid 16 and name n)    (resid 16 and name ca)
        (resid 16 and name cb)   (resid 16 and name cg) 1.0 180.0 30.0 2
!!  18 Cys
 assign (resid 18 and name n)    (resid 18 and name ca)
        (resid 18 and name cb)   (resid 18 and name sg) 1.0 -60.0 30.0 2
!!  22 Cys
 assign (resid 22 and name n)    (resid 22 and name ca)
        (resid 22 and name cb)   (resid 22 and name sg) 1.0 -60.0 30.0 2
!!  23 Thr
 assign (resid 23 and name n)    (resid 23 and name ca)
        (resid 23 and name cb)   (resid 23 and name og1) 1.0 180.0 30.0 2
!!  25 Lys
 assign (resid 25 and name n)    (resid 25 and name ca)
        (resid 25 and name cb)   (resid 25 and name cg) 1.0 240.0 90.0 2
!!  32 Thr
 assign (resid 32 and name n)    (resid 32 and name ca)
        (resid 32 and name cb)   (resid 32 and name og1) 1.0 180.0 30.0 2
!!  33 Val
 assign (resid 33 and name n)    (resid 33 and name ca)
        (resid 33 and name cb)   (resid 33 and name cg1) 1.0 180.0 30.0 2
!!  35 Arg
 assign (resid 35 and name n)    (resid 35 and name ca)
        (resid 35 and name cb)   (resid 35 and name cg) 1.0 -60.0 30.0 2
!!  36 Cys
 assign (resid 36 and name n)    (resid 36 and name ca)
        (resid 36 and name cb)   (resid 36 and name sg) 1.0 180.0 30.0 2
!!  37 Asp
 assign (resid 37 and name n)    (resid 37 and name ca)
        (resid 37 and name cb)   (resid 37 and name cg) 1.0 -60.0 30.0 2

!end

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

! Interproton distance restraints used for X-PLOR 3.1 refinement of
! atracotoxin-HVI from Hadronyche versuta

! range |i-j| =     0
assign (resid   3 and name HN    )(resid   3 and name HB    )  0.00  0.00  3.50
assign (resid   4 and name HN    )(resid   4 and name HB2   )  0.00  0.00  3.50
assign (resid   4 and name HN    )(resid   4 and name HB1   )  0.00  0.00  3.50
assign (resid   5 and name HN    )(resid   5 and name HB    )  0.00  0.00  2.80
assign (resid   5 and name HN    )(resid   5 and name HG1*  )  0.00  0.00  4.50
assign (resid   5 and name HN    )(resid   5 and name HD*   )  0.00  0.00  5.00
assign (resid   7 and name HN    )(resid   7 and name HA    )  0.00  0.00  2.80
assign (resid   7 and name HN    )(resid   7 and name HB*   )  0.00  0.00  3.80
assign (resid   8 and name HN    )(resid   8 and name HA2   )  0.00  0.00  2.80
assign (resid   9 and name HN    )(resid   9 and name HB2   )  0.00  0.00  3.50
assign (resid   9 and name HN    )(resid   9 and name HB1   )  0.00  0.00  3.50
assign (resid   9 and name HN    )(resid   9 and name HG2   )  0.00  0.00  5.00
assign (resid   9 and name HN    )(resid   9 and name HG1   )  0.00  0.00  5.00
assign (resid  11 and name HA    )(resid  11 and name HB1   )  0.00  0.00  2.80
assign (resid  14 and name HN    )(resid  14 and name HB2   )  0.00  0.00  3.50
assign (resid  14 and name HN    )(resid  14 and name HB1   )  0.00  0.00  3.50
assign (resid  14 and name HN    )(resid  14 and name HD21  )  0.00  0.00  5.00
assign (resid  14 and name HN    )(resid  14 and name HD22  )  0.00  0.00  5.00
assign (resid  14 and name HB2   )(resid  14 and name HD21  )  0.00  0.00  3.50
assign (resid  14 and name HB2   )(resid  14 and name HD22  )  0.00  0.00  3.50
assign (resid  14 and name HB1   )(resid  14 and name HD22  )  0.00  0.00  3.50
assign (resid  15 and name HN    )(resid  15 and name HG2   )  0.00  0.00  5.00
assign (resid  15 and name HN    )(resid  15 and name HG1   )  0.00  0.00  5.00
assign (resid  16 and name HN    )(resid  16 and name HB2   )  0.00  0.00  3.50
assign (resid  16 and name HB1   )(resid  16 and name HD21  )  0.00  0.00  3.50
assign (resid  16 and name HB1   )(resid  16 and name HD22  )  0.00  0.00  3.50
assign (resid  17 and name HN    )(resid  17 and name HB2   )  0.00  0.00  3.50
assign (resid  17 and name HN    )(resid  17 and name HB1   )  0.00  0.00  3.50
assign (resid  18 and name HN    )(resid  18 and name HB2   )  0.00  0.00  2.80
assign (resid  18 and name HN    )(resid  18 and name HB1   )  0.00  0.00  3.50
assign (resid  19 and name HN    )(resid  19 and name HA    )  0.00  0.00  2.80
assign (resid  19 and name HA    )(resid  19 and name HB2   )  0.00  0.00  2.80
assign (resid  19 and name HA    )(resid  19 and name HB1   )  0.00  0.00  2.80
assign (resid  20 and name HN    )(resid  20 and name HA    )  0.00  0.00  2.80
assign (resid  20 and name HN    )(resid  20 and name HG*   )  0.00  0.00  6.00
assign (resid  20 and name HN    )(resid  20 and name HE21  )  0.00  0.00  5.00
assign (resid  20 and name HN    )(resid  20 and name HE22  )  0.00  0.00  5.00
assign (resid  20 and name HA    )(resid  20 and name HB1   )  0.00  0.00  2.80
assign (resid  20 and name HA    )(resid  20 and name HE21  )  0.00  0.00  5.00
assign (resid  20 and name HA    )(resid  20 and name HE22  )  0.00  0.00  5.00
assign (resid  21 and name HN    )(resid  21 and name HB2   )  0.00  0.00  3.50
assign (resid  21 and name HN    )(resid  21 and name HB1   )  0.00  0.00  3.50
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  23 and name HN    )(resid  23 and name HB    )  0.00  0.00  3.50
assign (resid  23 and name HA    )(resid  23 and name HB    )  0.00  0.00  2.80
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 CZ    )  0.00  0.00  7.00
assign (resid  25 and name HN    )(resid  25 and name HG*   )  0.00  0.00  4.50
assign (resid  25 and name HN    )(resid  25 and name HD*   )  0.00  0.00  6.00
assign (resid  25 and name HB*   )(resid  25 and name HE*   )  0.00  0.00  5.50
assign (resid  26 and name HN    )(resid  26 and name HA    )  0.00  0.00  2.80
assign (resid  26 and name HN    )(resid  26 and name HB2   )  0.00  0.00  2.80
assign (resid  26 and name HN    )(resid  26 and name HB1   )  0.00  0.00  2.80
assign (resid  26 and name HN    )(resid  26 and name HG2   )  0.00  0.00  5.00
assign (resid  26 and name HN    )(resid  26 and name HG1   )  0.00  0.00  5.00
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 HD21  )  0.00  0.00  5.00
assign (resid  27 and name HN    )(resid  27 and name HD22  )  0.00  0.00  5.00
assign (resid  28 and name HN    )(resid  28 and name HA    )  0.00  0.00  2.80
assign (resid  28 and name HN    )(resid  28 and name HB2   )  0.00  0.00  2.80
assign (resid  28 and name HN    )(resid  28 and name HB1   )  0.00  0.00  2.80
assign (resid  28 and name HN    )(resid  28 and name HG*   )  0.00  0.00  4.50
assign (resid  29 and name HN    )(resid  29 and name HB2   )  0.00  0.00  3.50
assign (resid  29 and name HN    )(resid  29 and name HB1   )  0.00  0.00  2.80
assign (resid  29 and name HB1   )(resid  29 and name HD21  )  0.00  0.00  3.50
assign (resid  29 and name HB1   )(resid  29 and name HD22  )  0.00  0.00  3.50
assign (resid  30 and name HN    )(resid  30 and name HA2   )  0.00  0.00  2.80
assign (resid  30 and name HN    )(resid  30 and name HA1   )  0.00  0.00  2.80
assign (resid  31 and name HN    )(resid  31 and name HB2   )  0.00  0.00  2.80
assign (resid  31 and name HN    )(resid  31 and name HB1   )  0.00  0.00  3.50
assign (resid  31 and name HB2   )(resid  31 and name HD21  )  0.00  0.00  3.50
assign (resid  31 and name HB1   )(resid  31 and name HD21  )  0.00  0.00  3.50
assign (resid  32 and name HN    )(resid  32 and name HB    )  0.00  0.00  3.50
assign (resid  32 and name HN    )(resid  32 and name HG2*  )  0.00  0.00  4.30
assign (resid  33 and name HN    )(resid  33 and name HB    )  0.00  0.00  3.50
assign (resid  34 and name HN    )(resid  34 and name HB2   )  0.00  0.00  2.80
assign (resid  34 and name HN    )(resid  34 and name HB1   )  0.00  0.00  3.50
assign (resid  34 and name HN    )(resid  34 and name HG2   )  0.00  0.00  5.00
assign (resid  34 and name HN    )(resid  34 and name HG1   )  0.00  0.00  3.50
assign (resid  34 and name HA    )(resid  34 and name HG2   )  0.00  0.00  3.50
assign (resid  35 and name HN    )(resid  35 and name HG2   )  0.00  0.00  5.00
assign (resid  35 and name HN    )(resid  35 and name HG1   )  0.00  0.00  5.00
assign (resid  35 and name HA    )(resid  35 and name HG2   )  0.00  0.00  3.50
assign (resid  35 and name HA    )(resid  35 and name HG1   )  0.00  0.00  3.50
assign (resid  35 and name HA    )(resid  35 and name HD*   )  0.00  0.00  6.00
assign (resid  35 and name HB*   )(resid  35 and name HE    )  0.00  0.00  4.50
assign (resid  35 and name HG2   )(resid  35 and name HE    )  0.00  0.00  3.50
assign (resid  35 and name HG1   )(resid  35 and name HE    )  0.00  0.00  3.50
assign (resid  35 and name HD2   )(resid  35 and name HE    )  0.00  0.00  2.80
assign (resid  35 and name HD1   )(resid  35 and name HE    )  0.00  0.00  2.80
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 HB2   )  0.00  0.00  2.80
assign (resid  37 and name HN    )(resid  37 and name HB1   )  0.00  0.00  3.50
assign (resid  37 and name HA    )(resid  37 and name HB1   )  0.00  0.00  2.80
! total in this range:     97

! range |i-j| =     1
assign (resid   2 and name HA    )(resid   3 and name HN    )  0.00  0.00  3.50
assign (resid   3 and name HN    )(resid   4 and name HN    )  0.00  0.00  5.00
assign (resid   3 and name HA    )(resid   4 and name HN    )  0.00  0.00  3.50
assign (resid   3 and name HB    )(resid   4 and name HN    )  0.00  0.00  3.50
assign (resid   3 and name HG2*  )(resid   4 and name HN    )  0.00  0.00  6.50
assign (resid   4 and name HA    )(resid   5 and name HN    )  0.00  0.00  3.50
assign (resid   4 and name HA    )(resid   5 and name HB    )  0.00  0.00  5.00
assign (resid   4 and name HA    )(resid   5 and name HG1*  )  0.00  0.00  6.00
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   5 and name HA    )(resid   6 and name HD2   )  0.00  0.00  2.80
assign (resid   5 and name HA    )(resid   6 and name HD1   )  0.00  0.00  2.80
assign (resid   5 and name HG2*  )(resid   6 and name HD2   )  0.00  0.00  5.00
assign (resid   5 and name HD*   )(resid   6 and name HD2   )  0.00  0.00  6.50
assign (resid   5 and name HD*   )(resid   6 and name HD1   )  0.00  0.00  6.50
assign (resid   6 and name HA    )(resid   7 and name HN    )  0.00  0.00  2.80
assign (resid   6 and name HB2   )(resid   7 and name HN    )  0.00  0.00  2.80
assign (resid   6 and name HB1   )(resid   7 and name HN    )  0.00  0.00  3.50
assign (resid   7 and name HN    )(resid   8 and name HN    )  0.00  0.00  5.00
assign (resid   7 and name HA    )(resid   8 and name HN    )  0.00  0.00  3.30
assign (resid   8 and name HN    )(resid   9 and name HN    )  0.00  0.00  5.00
assign (resid   9 and name HA    )(resid  10 and name HD2   )  0.00  0.00  3.50
assign (resid   9 and name HA    )(resid  10 and name HD1   )  0.00  0.00  3.50
assign (resid   9 and name HG*   )(resid  10 and name HD2   )  0.00  0.00  6.00
assign (resid   9 and name HG*   )(resid  10 and name HD1   )  0.00  0.00  6.00
assign (resid  10 and name HA    )(resid  11 and name HN    )  0.00  0.00  3.50
assign (resid  11 and name HA    )(resid  12 and name HB1   )  0.00  0.00  5.00
assign (resid  11 and name HA    )(resid  12 and name HD1   )  0.00  0.00  2.80
assign (resid  11 and name HB2   )(resid  12 and name HD1   )  0.00  0.00  5.00
assign (resid  12 and name HB2   )(resid  13 and name CG    )  0.00  0.00  5.50
assign (resid  12 and name HB2   )(resid  13 and name CZ    )  0.00  0.00  7.00
assign (resid  12 and name HB1   )(resid  13 and name CG    )  0.00  0.00  5.50
assign (resid  12 and name HB1   )(resid  13 and name CZ    )  0.00  0.00  7.00
assign (resid  12 and name HG*   )(resid  13 and name CG    )  0.00  0.00  6.50
assign (resid  12 and name HG*   )(resid  13 and name CZ    )  0.00  0.00  6.50
assign (resid  12 and name HD2   )(resid  13 and name CZ    )  0.00  0.00  7.00
assign (resid  12 and name HD1   )(resid  13 and name CG    )  0.00  0.00  7.00
assign (resid  12 and name HD1   )(resid  13 and name CZ    )  0.00  0.00  7.00
assign (resid  13 and name HB*   )(resid  14 and name HN    )  0.00  0.00  4.50
assign (resid  13 and name CG    )(resid  14 and name HN    )  0.00  0.00  7.00
assign (resid  14 and name HB2   )(resid  15 and name HN    )  0.00  0.00  5.00
assign (resid  14 and name HB1   )(resid  15 and name HN    )  0.00  0.00  5.00
assign (resid  15 and name HN    )(resid  16 and name HN    )  0.00  0.00  5.00
assign (resid  15 and name HG*   )(resid  16 and name HA    )  0.00  0.00  6.00
assign (resid  16 and name HN    )(resid  17 and name HN    )  0.00  0.00  5.00
assign (resid  16 and name HB2   )(resid  17 and name HN    )  0.00  0.00  5.00
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 HN    )  0.00  0.00  5.00
assign (resid  17 and name HB1   )(resid  18 and name HN    )  0.00  0.00  3.50
assign (resid  18 and name HN    )(resid  19 and name HN    )  0.00  0.00  3.50
assign (resid  18 and name HN    )(resid  19 and name HB1   )  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 HB2   )(resid  19 and name HN    )  0.00  0.00  3.50
assign (resid  18 and name HB1   )(resid  19 and name HN    )  0.00  0.00  3.50
assign (resid  19 and name HN    )(resid  20 and name HN    )  0.00  0.00  2.80
assign (resid  19 and name HN    )(resid  20 and name HA    )  0.00  0.00  5.00
assign (resid  19 and name HA    )(resid  20 and name HN    )  0.00  0.00  3.50
assign (resid  20 and name HN    )(resid  21 and name HN    )  0.00  0.00  3.50
assign (resid  20 and name HA    )(resid  21 and name HN    )  0.00  0.00  3.50
assign (resid  20 and name HG*   )(resid  21 and name HN    )  0.00  0.00  6.00
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 HB2   )(resid  22 and name HN    )  0.00  0.00  5.00
assign (resid  21 and name HB1   )(resid  22 and name HN    )  0.00  0.00  5.00
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 HG2*  )  0.00  0.00  6.50
assign (resid  22 and name HA    )(resid  23 and name HN    )  0.00  0.00  3.50
assign (resid  22 and name HA    )(resid  23 and name HA    )  0.00  0.00  5.00
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  3.50
assign (resid  23 and name HA    )(resid  24 and name HN    )  0.00  0.00  2.80
assign (resid  23 and name HB    )(resid  24 and name HN    )  0.00  0.00  3.50
assign (resid  23 and name HG2*  )(resid  24 and name HN    )  0.00  0.00  5.00
assign (resid  24 and name HN    )(resid  25 and name HN    )  0.00  0.00  5.00
assign (resid  24 and name HA    )(resid  25 and name HN    )  0.00  0.00  2.80
assign (resid  24 and name HB*   )(resid  25 and name HA    )  0.00  0.00  6.00
assign (resid  24 and name CG    )(resid  25 and name HN    )  0.00  0.00  5.50
assign (resid  25 and name HN    )(resid  26 and name HN    )  0.00  0.00  5.00
assign (resid  25 and name HB*   )(resid  26 and name HN    )  0.00  0.00  3.80
assign (resid  25 and name HG2   )(resid  26 and name HN    )  0.00  0.00  5.00
assign (resid  25 and name HG1   )(resid  26 and name HN    )  0.00  0.00  5.00
assign (resid  25 and name HD*   )(resid  26 and name HN    )  0.00  0.00  6.00
assign (resid  26 and name HA    )(resid  27 and name HN    )  0.00  0.00  2.80
assign (resid  26 and name HB2   )(resid  27 and name HN    )  0.00  0.00  4.50
assign (resid  26 and name HB1   )(resid  27 and name HN    )  0.00  0.00  4.50
assign (resid  26 and name HG2   )(resid  27 and name HN    )  0.00  0.00  5.00
assign (resid  26 and name HG1   )(resid  27 and name HN    )  0.00  0.00  5.00
assign (resid  27 and name HA    )(resid  28 and name HN    )  0.00  0.00  3.50
assign (resid  27 and name HB2   )(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  2.80
assign (resid  27 and name HD21  )(resid  28 and name HN    )  0.00  0.00  5.00
assign (resid  28 and name HN    )(resid  29 and name HN    )  0.00  0.00  3.50
assign (resid  28 and name HA    )(resid  29 and name HN    )  0.00  0.00  3.50
assign (resid  28 and name HB2   )(resid  29 and name HN    )  0.00  0.00  5.00
assign (resid  28 and name HB1   )(resid  29 and name HN    )  0.00  0.00  5.00
assign (resid  28 and name HG*   )(resid  29 and name HN    )  0.00  0.00  6.00
assign (resid  29 and name HN    )(resid  30 and name HN    )  0.00  0.00  3.50
assign (resid  29 and name HB2   )(resid  30 and name HN    )  0.00  0.00  5.00
assign (resid  29 and name HB1   )(resid  30 and name HN    )  0.00  0.00  5.00
assign (resid  29 and name HB1   )(resid  30 and name HA1   )  0.00  0.00  5.00
assign (resid  30 and name HN    )(resid  31 and name HN    )  0.00  0.00  2.80
assign (resid  30 and name HA2   )(resid  31 and name HN    )  0.00  0.00  3.50
assign (resid  30 and name HA1   )(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  2.80
assign (resid  31 and name HA    )(resid  32 and name HG2*  )  0.00  0.00  6.50
assign (resid  31 and name HB2   )(resid  32 and name HN    )  0.00  0.00  3.50
assign (resid  31 and name HB1   )(resid  32 and name HN    )  0.00  0.00  3.50
assign (resid  32 and name HN    )(resid  33 and name HN    )  0.00  0.00  5.00
assign (resid  32 and name HN    )(resid  33 and name HG*   )  0.00  0.00  7.90
assign (resid  32 and name HA    )(resid  33 and name HN    )  0.00  0.00  2.80
assign (resid  32 and name HA    )(resid  33 and name HB    )  0.00  0.00  5.00
assign (resid  32 and name HA    )(resid  33 and name HG*   )  0.00  0.00  7.90
assign (resid  32 and name HG2*  )(resid  33 and name HN    )  0.00  0.00  5.00
assign (resid  33 and name HA    )(resid  34 and name HN    )  0.00  0.00  2.80
assign (resid  33 and name HB    )(resid  34 and name HN    )  0.00  0.00  2.80
assign (resid  33 and name HG1*  )(resid  34 and name HN    )  0.00  0.00  3.80
assign (resid  34 and name HA    )(resid  35 and name HN    )  0.00  0.00  2.80
assign (resid  34 and name HB*   )(resid  35 and name HN    )  0.00  0.00  6.00
assign (resid  34 and name HG2   )(resid  35 and name HN    )  0.00  0.00  5.00
assign (resid  34 and name HG1   )(resid  35 and name HN    )  0.00  0.00  5.00
assign (resid  35 and name HA    )(resid  36 and name HN    )  0.00  0.00  2.80
assign (resid  35 and name HB2   )(resid  36 and name HN    )  0.00  0.00  3.50
assign (resid  35 and name HB1   )(resid  36 and name HN    )  0.00  0.00  3.50
assign (resid  35 and name HG*   )(resid  36 and name HN    )  0.00  0.00  6.00
assign (resid  36 and name HN    )(resid  37 and name HN    )  0.00  0.00  5.00
assign (resid  36 and name HA    )(resid  37 and name HN    )  0.00  0.00  2.80
assign (resid  36 and name HB2   )(resid  37 and name HN    )  0.00  0.00  5.00
! total in this range:    128

! range |i-j| =     2
assign (resid   5 and name HG2*  )(resid   7 and name HN    )  0.00  0.00  6.50
assign (resid   7 and name HA    )(resid   9 and name HN    )  0.00  0.00  5.00
assign (resid  13 and name HB*   )(resid  15 and name HN    )  0.00  0.00  6.00
assign (resid  13 and name CG    )(resid  15 and name HN    )  0.00  0.00  7.00
assign (resid  13 and name CG    )(resid  15 and name HB*   )  0.00  0.00  7.00
assign (resid  13 and name CZ    )(resid  15 and name HB*   )  0.00  0.00  7.00
assign (resid  15 and name HA    )(resid  17 and name HN    )  0.00  0.00  5.00
assign (resid  17 and name HA    )(resid  19 and name HN    )  0.00  0.00  5.00
assign (resid  17 and name HB2   )(resid  19 and name HN    )  0.00  0.00  5.00
assign (resid  17 and name HB1   )(resid  19 and name HN    )  0.00  0.00  2.80
assign (resid  18 and name HN    )(resid  20 and name HN    )  0.00  0.00  5.00
assign (resid  18 and name HA    )(resid  20 and name HN    )  0.00  0.00  5.00
assign (resid  19 and name HN    )(resid  21 and name HN    )  0.00  0.00  5.00
assign (resid  19 and name HA    )(resid  21 and name HN    )  0.00  0.00  5.00
assign (resid  19 and name HB2   )(resid  21 and name HN    )  0.00  0.00  5.00
assign (resid  19 and name HB1   )(resid  21 and name HN    )  0.00  0.00  5.00
! hydrogen bond
assign (resid  19 and name OG    )(resid  21 and name N     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  19 and name OG    )(resid  21 and name HN    )  2.20  0.20  0.00
assign (resid  27 and name HB2   )(resid  29 and name HN    )  0.00  0.00  5.00
assign (resid  27 and name HB1   )(resid  29 and name HN    )  0.00  0.00  5.00
assign (resid  27 and name HD21  )(resid  29 and name HN    )  0.00  0.00  5.00
assign (resid  27 and name HD22  )(resid  29 and name HN    )  0.00  0.00  5.00
assign (resid  28 and name HN    )(resid  30 and name HN    )  0.00  0.00  5.00
assign (resid  28 and name HA    )(resid  30 and name HN    )  0.00  0.00  5.00
assign (resid  29 and name HN    )(resid  31 and name HN    )  0.00  0.00  5.00
assign (resid  29 and name HD2*  )(resid  31 and name HD21  )  0.00  0.00  6.00
assign (resid  31 and name HB2   )(resid  33 and name HG*   )  0.00  0.00  7.90
assign (resid  31 and name HB1   )(resid  33 and name HG*   )  0.00  0.00  7.90
assign (resid  33 and name HB    )(resid  35 and name HE    )  0.00  0.00  5.00
assign (resid  33 and name HG*   )(resid  35 and name HA    )  0.00  0.00  7.90
assign (resid  33 and name HG*   )(resid  35 and name HG2   )  0.00  0.00  7.90
assign (resid  33 and name HG*   )(resid  35 and name HG1   )  0.00  0.00  7.90
assign (resid  33 and name HG*   )(resid  35 and name HD2   )  0.00  0.00  7.90
assign (resid  33 and name HG*   )(resid  35 and name HD1   )  0.00  0.00  7.90
assign (resid  33 and name HG*   )(resid  35 and name HE    )  0.00  0.00  6.40
! total in this range:     35

! range |i-j| =     3
assign (resid   6 and name HG2   )(resid   9 and name HE21  )  0.00  0.00  5.00
assign (resid   6 and name HG2   )(resid   9 and name HE22  )  0.00  0.00  5.00
! hydrogen bond
assign (resid   6 and name O     )(resid   9 and name N     )  3.20  0.30  0.00
! hydrogen bond
assign (resid   6 and name O     )(resid   9 and name HN    )  2.20  0.20  0.00
! hydrogen bond
assign (resid  13 and name O     )(resid  16 and name N     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  13 and name O     )(resid  16 and name HN    )  2.20  0.20  0.00
assign (resid  17 and name HN    )(resid  20 and name HN    )  0.00  0.00  5.00
assign (resid  17 and name HN    )(resid  20 and name HA    )  0.00  0.00  5.00
assign (resid  17 and name HB2   )(resid  20 and name HN    )  0.00  0.00  5.00
assign (resid  17 and name HB2   )(resid  20 and name HA    )  0.00  0.00  3.50
assign (resid  17 and name HB1   )(resid  20 and name HN    )  0.00  0.00  3.50
assign (resid  17 and name HB1   )(resid  20 and name HA    )  0.00  0.00  3.50
assign (resid  17 and name HB*   )(resid  20 and name HN    )  0.00  0.00  3.80
! hydrogen bond
assign (resid  17 and name O     )(resid  20 and name N     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  17 and name O     )(resid  20 and name HN    )  2.20  0.20  0.00
assign (resid  27 and name HB2   )(resid  30 and name HN    )  0.00  0.00  5.00
assign (resid  27 and name HB1   )(resid  30 and name HN    )  0.00  0.00  5.00
assign (resid  28 and name HN    )(resid  31 and name HN    )  0.00  0.00  5.00
! total in this range:     18

! range |i-j| =     4
assign (resid   5 and name HG2*  )(resid   9 and name HB2   )  0.00  0.00  4.30
assign (resid   5 and name HG2*  )(resid   9 and name HB1   )  0.00  0.00  4.30
assign (resid   5 and name HG2*  )(resid   9 and name HG2   )  0.00  0.00  5.00
assign (resid   5 and name HG2*  )(resid   9 and name HG1   )  0.00  0.00  5.00
assign (resid   5 and name HD*   )(resid   9 and name HB1   )  0.00  0.00  6.00
assign (resid  12 and name HB*   )(resid  16 and name HD2*  )  0.00  0.00  7.00
assign (resid  12 and name HG*   )(resid  16 and name HD2*  )  0.00  0.00  7.00
assign (resid  12 and name HD2   )(resid  16 and name HB2   )  0.00  0.00  3.50
assign (resid  12 and name HD2   )(resid  16 and name HB1   )  0.00  0.00  3.50
assign (resid  12 and name HD1   )(resid  16 and name HD2*  )  0.00  0.00  6.00
assign (resid  17 and name HB2   )(resid  21 and name HN    )  0.00  0.00  5.00
assign (resid  17 and name HB1   )(resid  21 and name HN    )  0.00  0.00  5.00
! hydrogen bond
assign (resid  27 and name N     )(resid  31 and name O     )  3.20  0.30  0.00
assign (resid  27 and name HN    )(resid  31 and name HN    )  0.00  0.00  3.50
! hydrogen bond
assign (resid  27 and name HN    )(resid  31 and name O     )  2.20  0.20  0.00
assign (resid  27 and name HD21  )(resid  31 and name HN    )  0.00  0.00  5.00
assign (resid  27 and name HD21  )(resid  31 and name HB2   )  0.00  0.00  5.00
assign (resid  27 and name HD21  )(resid  31 and name HB1   )  0.00  0.00  5.00
assign (resid  27 and name HD22  )(resid  31 and name HN    )  0.00  0.00  5.00
assign (resid  27 and name HD22  )(resid  31 and name HB2   )  0.00  0.00  3.50
assign (resid  27 and name HD22  )(resid  31 and name HB1   )  0.00  0.00  3.50
! total in this range:     21

! range |i-j| =     5
assign (resid  15 and name HA    )(resid  20 and name HB1   )  0.00  0.00  5.00
assign (resid  15 and name HA    )(resid  20 and name HE21  )  0.00  0.00  5.00
assign (resid  15 and name HA    )(resid  20 and name HE22  )  0.00  0.00  5.00
! total in this range:      3

! range |i-j| =     6
assign (resid   5 and name HB    )(resid  11 and name HB2   )  0.00  0.00  5.00
assign (resid   5 and name HB    )(resid  11 and name HB1   )  0.00  0.00  5.00
assign (resid   5 and name HG2*  )(resid  11 and name HA    )  0.00  0.00  6.50
assign (resid   5 and name HG2*  )(resid  11 and name HB2   )  0.00  0.00  6.50
assign (resid   5 and name HG2*  )(resid  11 and name HB1   )  0.00  0.00  5.00
assign (resid   5 and name HG1*  )(resid  11 and name HA    )  0.00  0.00  6.00
assign (resid   5 and name HD*   )(resid  11 and name HA    )  0.00  0.00  4.80
assign (resid   5 and name HD*   )(resid  11 and name HB2   )  0.00  0.00  5.00
assign (resid  11 and name HB2   )(resid  17 and name HB2   )  0.00  0.00  5.00
assign (resid  26 and name HA    )(resid  32 and name HA    )  0.00  0.00  2.80
assign (resid  26 and name HA    )(resid  32 and name HG2*  )  0.00  0.00  6.50
assign (resid  27 and name HN    )(resid  33 and name HG*   )  0.00  0.00  7.90
assign (resid  27 and name HA    )(resid  33 and name HG2*  )  0.00  0.00  6.50
assign (resid  27 and name HB2   )(resid  33 and name HG*   )  0.00  0.00  7.90
assign (resid  27 and name HB1   )(resid  33 and name HG*   )  0.00  0.00  7.90
assign (resid  27 and name HD21  )(resid  33 and name HG*   )  0.00  0.00  7.90
assign (resid  27 and name HD22  )(resid  33 and name HG*   )  0.00  0.00  7.90
! total in this range:     17

! range |i-j| =     7
assign (resid   5 and name HG2*  )(resid  12 and name HD1   )  0.00  0.00  6.50
assign (resid   5 and name HD*   )(resid  12 and name HD2   )  0.00  0.00  4.30
assign (resid   5 and name HD*   )(resid  12 and name HD1   )  0.00  0.00  5.00
assign (resid  14 and name HB2   )(resid  21 and name HA    )  0.00  0.00  5.00
assign (resid  14 and name HB1   )(resid  21 and name HA    )  0.00  0.00  5.00
assign (resid  25 and name HN    )(resid  32 and name HG2*  )  0.00  0.00  6.50
! total in this range:      6

! range |i-j| =     8
assign (resid  14 and name HN    )(resid  22 and name HN    )  0.00  0.00  5.00
assign (resid  14 and name HN    )(resid  22 and name HB1   )  0.00  0.00  5.00
assign (resid  14 and name HA    )(resid  22 and name HN    )  0.00  0.00  3.50
assign (resid  14 and name HA    )(resid  22 and name HB1   )  0.00  0.00  3.50
assign (resid  14 and name HB1   )(resid  22 and name HN    )  0.00  0.00  5.00
assign (resid  24 and name HB*   )(resid  32 and name HG2*  )  0.00  0.00  5.30
assign (resid  24 and name CG    )(resid  32 and name HB    )  0.00  0.00  7.00
assign (resid  24 and name CG    )(resid  32 and name HG2*  )  0.00  0.00  5.30
assign (resid  24 and name CZ    )(resid  32 and name HG2*  )  0.00  0.00  7.00
! hydrogen bond
assign (resid  25 and name N     )(resid  33 and name O     )  3.20  0.30  0.00
assign (resid  25 and name HN    )(resid  33 and name HN    )  0.00  0.00  3.50
assign (resid  25 and name HN    )(resid  33 and name HG*   )  0.00  0.00  7.40
! hydrogen bond
assign (resid  25 and name HN    )(resid  33 and name O     )  2.20  0.20  0.00
assign (resid  25 and name HD*   )(resid  33 and name HG*   )  0.00  0.00  8.90
! hydrogen bond
assign (resid  25 and name O     )(resid  33 and name N     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  25 and name O     )(resid  33 and name HN    )  2.20  0.20  0.00
! total in this range:     16

! range |i-j| =     9
assign (resid  24 and name CG    )(resid  33 and name HN    )  0.00  0.00  7.00
assign (resid  24 and name CG    )(resid  33 and name HA    )  0.00  0.00  7.00
assign (resid  24 and name CZ    )(resid  33 and name HN    )  0.00  0.00  7.00
assign (resid  24 and name CZ    )(resid  33 and name HA    )  0.00  0.00  7.00
assign (resid  24 and name HZ    )(resid  33 and name HA    )  0.00  0.00  5.00
assign (resid  25 and name HN    )(resid  34 and name HA    )  0.00  0.00  5.00
assign (resid  25 and name HN    )(resid  34 and name HG2   )  0.00  0.00  5.00
! total in this range:      7

! range |i-j| =    10
assign (resid  24 and name HN    )(resid  34 and name HG2   )  0.00  0.00  5.00
assign (resid  24 and name HN    )(resid  34 and name HG1   )  0.00  0.00  5.00
assign (resid  24 and name HA    )(resid  34 and name HA    )  0.00  0.00  2.80
assign (resid  24 and name HA    )(resid  34 and name HB1   )  0.00  0.00  5.00
assign (resid  24 and name HA    )(resid  34 and name HG2   )  0.00  0.00  5.00
assign (resid  24 and name HA    )(resid  34 and name HG1   )  0.00  0.00  5.00
assign (resid  24 and name HB*   )(resid  34 and name HA    )  0.00  0.00  4.50
assign (resid  24 and name HB*   )(resid  34 and name HG2   )  0.00  0.00  6.00
assign (resid  24 and name HB*   )(resid  34 and name HG1   )  0.00  0.00  6.00
assign (resid  24 and name CG    )(resid  34 and name HN    )  0.00  0.00  7.00
assign (resid  24 and name CG    )(resid  34 and name HA    )  0.00  0.00  7.00
assign (resid  24 and name CG    )(resid  34 and name HG2   )  0.00  0.00  5.50
assign (resid  24 and name CG    )(resid  34 and name HG1   )  0.00  0.00  5.50
assign (resid  24 and name CZ    )(resid  34 and name HN    )  0.00  0.00  7.00
assign (resid  24 and name CZ    )(resid  34 and name HG2   )  0.00  0.00  7.00
assign (resid  24 and name CZ    )(resid  34 and name HG1   )  0.00  0.00  5.50
assign (resid  25 and name HN    )(resid  35 and name HD*   )  0.00  0.00  4.50
assign (resid  25 and name HB*   )(resid  35 and name HE    )  0.00  0.00  6.00
assign (resid  25 and name HG*   )(resid  35 and name HE    )  0.00  0.00  6.00
assign (resid  25 and name HD*   )(resid  35 and name HE    )  0.00  0.00  6.00
! total in this range:     20

! range |i-j| =    11
! hydrogen bond
assign (resid   5 and name N     )(resid  16 and name O     )  3.20  0.30  0.00
! hydrogen bond
assign (resid   5 and name HN    )(resid  16 and name O     )  2.20  0.20  0.00
assign (resid   5 and name HG1*  )(resid  16 and name HB1   )  0.00  0.00  6.00
assign (resid   5 and name HD*   )(resid  16 and name HB2   )  0.00  0.00  5.00
assign (resid   5 and name HD*   )(resid  16 and name HB1   )  0.00  0.00  5.00
assign (resid   5 and name HD*   )(resid  16 and name HD21  )  0.00  0.00  6.50
assign (resid   5 and name HD*   )(resid  16 and name HD22  )  0.00  0.00  6.50
assign (resid   7 and name HN    )(resid  18 and name HN    )  0.00  0.00  5.00
assign (resid   7 and name HN    )(resid  18 and name HB2   )  0.00  0.00  5.00
assign (resid  24 and name HB*   )(resid  35 and name HN    )  0.00  0.00  6.00
! total in this range:     10

! range |i-j| =    12
assign (resid   5 and name HN    )(resid  17 and name HA    )  0.00  0.00  3.50
assign (resid   5 and name HB    )(resid  17 and name HA    )  0.00  0.00  3.00
assign (resid   5 and name HG2*  )(resid  17 and name HA    )  0.00  0.00  6.50
assign (resid   5 and name HG1*  )(resid  17 and name HA    )  0.00  0.00  6.00
assign (resid   5 and name HD*   )(resid  17 and name HA    )  0.00  0.00  6.50
assign (resid  23 and name HN    )(resid  35 and name HN    )  0.00  0.00  5.00
! hydrogen bond
assign (resid  23 and name O     )(resid  35 and name N     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  23 and name O     )(resid  35 and name HN    )  2.20  0.20  0.00
! total in this range:      8

! range |i-j| =    13
assign (resid   4 and name HB2   )(resid  17 and name HA    )  0.00  0.00  5.00
assign (resid   5 and name HB    )(resid  18 and name HN    )  0.00  0.00  3.50
assign (resid   5 and name HG2*  )(resid  18 and name HN    )  0.00  0.00  6.50
! hydrogen bond
assign (resid   5 and name O     )(resid  18 and name N     )  3.20  0.30  0.00
! hydrogen bond
assign (resid   5 and name O     )(resid  18 and name HN    )  2.20  0.20  0.00
assign (resid  23 and name HN    )(resid  36 and name HA    )  0.00  0.00  5.00
assign (resid  23 and name HG2*  )(resid  36 and name HN    )  0.00  0.00  5.00
assign (resid  23 and name HG2*  )(resid  36 and name HA    )  0.00  0.00  6.50
! total in this range:      8

! range |i-j| =    14
assign (resid   4 and name HB2   )(resid  18 and name HN    )  0.00  0.00  3.50
assign (resid   4 and name HB2   )(resid  18 and name HA    )  0.00  0.00  3.50
assign (resid   4 and name HB1   )(resid  18 and name HN    )  0.00  0.00  5.00
assign (resid   4 and name HB1   )(resid  18 and name HA    )  0.00  0.00  3.50
assign (resid  22 and name HA    )(resid  36 and name HA    )  0.00  0.00  3.50
assign (resid  23 and name HN    )(resid  37 and name HN    )  0.00  0.00  5.00
assign (resid  23 and name HG2*  )(resid  37 and name HN    )  0.00  0.00  6.50
! total in this range:     7

! range |i-j| =    15
assign (resid  22 and name HA    )(resid  37 and name HN    )  0.00  0.00  5.00
! total in this range:      1

! range |i-j| =    16
assign (resid  21 and name HN    )(resid  37 and name HN    )  0.00  0.00  5.00
assign (resid  21 and name HN    )(resid  37 and name HB2   )  0.00  0.00  5.00
assign (resid  21 and name HB2   )(resid  37 and name HN    )  0.00  0.00  5.00
assign (resid  21 and name HB2   )(resid  37 and name HB2   )  0.00  0.00  3.50
assign (resid  21 and name HB2   )(resid  37 and name HB1   )  0.00  0.00  3.50
assign (resid  21 and name HB1   )(resid  37 and name HN    )  0.00  0.00  5.00
assign (resid  21 and name HB1   )(resid  37 and name HB2   )  0.00  0.00  3.50
assign (resid  21 and name HB1   )(resid  37 and name HB1   )  0.00  0.00  5.00
! hydrogen bond
assign (resid  21 and name O     )(resid  37 and name N     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  21 and name O     )(resid  37 and name HN    )  2.20  0.20  0.00
! total in this range:     10

! range |i-j| =    18
assign (resid  19 and name HB*   )(resid  37 and name HB2   )  0.00  0.00  6.00
assign (resid  19 and name HB*   )(resid  37 and name HB1   )  0.00  0.00  6.00
! total in this range:      2

! range |i-j| =    19
assign (resid  17 and name HB2   )(resid  36 and name HA    )  0.00  0.00  5.50
assign (resid  17 and name HB1   )(resid  36 and name HA    )  0.00  0.00  5.50
! total in this range:      2

! range |i-j| =    23
assign (resid  10 and name HB1   )(resid  33 and name HG*   )  0.00  0.00  7.90
assign (resid  10 and name HG1   )(resid  33 and name HG*   )  0.00  0.00  7.90
! hydrogen bond
assign (resid  11 and name N     )(resid  34 and name O     )  3.20  0.30  0.00
assign (resid  11 and name HN    )(resid  34 and name HN    )  0.00  0.00  5.50
assign (resid  11 and name HN    )(resid  34 and name HB2   )  0.00  0.00  5.00
assign (resid  11 and name HN    )(resid  34 and name HB1   )  0.00  0.00  5.00
! hydrogen bond
assign (resid  11 and name HN    )(resid  34 and name O     )  2.20  0.20  0.00
! total in this range:      7

! range |i-j| =    24
assign (resid  11 and name HN    )(resid  35 and name HG2   )  0.00  0.00  5.00
! total in this range:      1

! range |i-j| =    25
assign (resid  11 and name HN    )(resid  36 and name HN    )  0.00  0.00  5.00
assign (resid  11 and name HB1   )(resid  36 and name HA    )  0.00  0.00  5.50
! total in this range:      2

! range |i-j| =    27
assign (resid   8 and name HN    )(resid  35 and name HB*   )  0.00  0.00  6.00
assign (resid   8 and name HA2   )(resid  35 and name HB1   )  0.00  0.00  5.00
assign (resid   8 and name HA2   )(resid  35 and name HD*   )  0.00  0.00  6.00
assign (resid   9 and name HN    )(resid  36 and name HN    )  0.00  0.00  5.00
assign (resid   9 and name HN    )(resid  36 and name HB2   )  0.00  0.00  5.00
assign (resid   9 and name HN    )(resid  36 and name HB1   )  0.00  0.00  5.00
! hydrogen bond
assign (resid   9 and name O     )(resid  36 and name N     )  3.20  0.30  0.00
! hydrogen bond
assign (resid   9 and name O     )(resid  36 and name HN    )  2.20  0.20  0.00
! total in this range:      8

! range |i-j| =    28
! hydrogen bond
assign (resid   8 and name N     )(resid  36 and name O     )  3.20  0.30  0.00
assign (resid   8 and name HN    )(resid  36 and name HN    )  0.00  0.00  5.50
assign (resid   8 and name HN    )(resid  36 and name HB2   )  0.00  0.00  5.00
assign (resid   8 and name HN    )(resid  36 and name HB1   )  0.00  0.00  3.50
! hydrogen bond
assign (resid   8 and name HN    )(resid  36 and name O     )  2.20  0.20  0.00
assign (resid   8 and name HA2   )(resid  36 and name HB1   )  0.00  0.00  5.00
! total in this range:      6

! range |i-j| =    29
assign (resid   7 and name HN    )(resid  36 and name HB1   )  0.00  0.00  5.00
assign (resid   7 and name HA    )(resid  36 and name HN    )  0.00  0.00  5.00
assign (resid   7 and name HA    )(resid  36 and name HA    )  0.00  0.00  5.00
assign (resid   7 and name HA    )(resid  36 and name HB2   )  0.00  0.00  3.50
assign (resid   7 and name HA    )(resid  36 and name HB1   )  0.00  0.00  2.80
! total in this range:      5

! range |i-j| =    31
assign (resid   5 and name HG2*  )(resid  36 and name HB2   )  0.00  0.00  6.50
assign (resid   5 and name HG2*  )(resid  36 and name HB1   )  0.00  0.00  6.50
! total in this range:      2

! TOTAL NUMBER OF DISTANCE RESTRAINTS:      447

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    SER   1          3H        SER   1   1.543  -0.128  -8.660
    2   2H    SER   1          2H        SER   1   3.095  -0.388  -9.300
    3   3H    SER   1          1H        SER   1   1.720  -0.893 -10.162
    4    HA   SER   1           HA       SER   1   1.194  -2.509  -8.483
    5   1HB   SER   1          2HB       SER   1   3.111  -4.016  -8.788
    6   2HB   SER   1          1HB       SER   1   2.672  -3.218 -10.293
    7    HG   SER   1           HG       SER   1   4.950  -3.170  -9.901
    8    HA   PRO   2           HA       PRO   2   2.710  -1.834  -4.408
    9   1HB   PRO   2          2HB       PRO   2   2.329  -4.279  -3.315
   10   2HB   PRO   2          1HB       PRO   2   1.006  -3.166  -3.696
   11   1HG   PRO   2          2HG       PRO   2   1.880  -5.609  -5.113
   12   2HG   PRO   2          1HG       PRO   2   0.267  -4.891  -4.985
   13   1HD   PRO   2          2HD       PRO   2   1.973  -4.698  -7.188
   14   2HD   PRO   2          1HD       PRO   2   0.546  -3.690  -6.884
   15    H    THR   3           H        THR   3   4.940  -1.680  -5.524
   16    HA   THR   3           HA       THR   3   6.678  -3.939  -4.773
   17    HB   THR   3           HB       THR   3   6.648  -2.915  -7.133
   18    HG1  THR   3           HG1      THR   3   8.358  -4.140  -6.960
   19   1HG2  THR   3          3HG2      THR   3   6.918  -0.553  -5.879
   20   2HG2  THR   3          2HG2      THR   3   8.619  -0.929  -6.169
   21   3HG2  THR   3          1HG2      THR   3   7.491  -0.843  -7.523
   22    H    CYS   4           H        CYS   4   9.053  -2.254  -4.735
   23    HA   CYS   4           HA       CYS   4   9.158  -1.617  -2.004
   24   1HB   CYS   4          2HB       CYS   4  11.306  -0.624  -2.499
   25   2HB   CYS   4          1HB       CYS   4  11.131  -2.130  -3.385
   26    H    ILE   5           H        ILE   5   9.411   0.458  -1.002
   27    HA   ILE   5           HA       ILE   5   7.496   2.393  -1.968
   28    HB   ILE   5           HB       ILE   5   9.353   2.475   0.403
   29   1HG1  ILE   5          2HG1      ILE   5   6.437   1.694   0.292
   30   2HG1  ILE   5          1HG1      ILE   5   7.768   0.542   0.336
   31   1HG2  ILE   5          1HG2      ILE   5   8.417   4.674  -0.371
   32   2HG2  ILE   5          3HG2      ILE   5   6.806   4.031  -0.051
   33   3HG2  ILE   5          2HG2      ILE   5   7.961   4.214   1.271
   34   1HD1  ILE   5          3HD1      ILE   5   8.517   1.764   2.465
   35   2HD1  ILE   5          2HD1      ILE   5   6.912   2.497   2.457
   36   3HD1  ILE   5          1HD1      ILE   5   7.081   0.745   2.581
   37    HA   PRO   6           HA       PRO   6  10.664   4.665  -4.118
   38   1HB   PRO   6          2HB       PRO   6   9.055   6.572  -5.154
   39   2HB   PRO   6          1HB       PRO   6   9.190   4.937  -5.817
   40   1HG   PRO   6          2HG       PRO   6   7.027   6.141  -4.198
   41   2HG   PRO   6          1HG       PRO   6   6.945   4.863  -5.421
   42   1HD   PRO   6          2HD       PRO   6   6.888   4.487  -2.652
   43   2HD   PRO   6          1HD       PRO   6   7.196   3.228  -3.864
   44    H    SER   7           H        SER   7  11.665   6.697  -4.028
   45    HA   SER   7           HA       SER   7  11.957   7.863  -1.537
   46   1HB   SER   7          2HB       SER   7  13.569   8.136  -3.357
   47   2HB   SER   7          1HB       SER   7  12.420   9.141  -4.233
   48    HG   SER   7           HG       SER   7  12.611  10.173  -1.818
   49    H    GLY   8           H        GLY   8  11.036   9.515  -0.444
   50   1HA   GLY   8          2HA       GLY   8   9.741  11.461  -0.149
   51   2HA   GLY   8          1HA       GLY   8   9.027  11.205  -1.741
   52    H    GLN   9           H        GLN   9   8.714   8.270  -0.862
   53    HA   GLN   9           HA       GLN   9   6.061   8.631   0.310
   54   1HB   GLN   9          2HB       GLN   9   7.342   6.690  -1.427
   55   2HB   GLN   9          1HB       GLN   9   6.475   5.915  -0.103
   56   1HG   GLN   9          2HG       GLN   9   4.508   7.421  -0.701
   57   2HG   GLN   9          1HG       GLN   9   5.388   7.817  -2.178
   58   1HE2  GLN   9          2HE2      GLN   9   3.888   4.037  -1.632
   59   2HE2  GLN   9          1HE2      GLN   9   4.199   5.071  -0.283
   60    HA   PRO  10           HA       PRO  10   7.227   7.255   4.325
   61   1HB   PRO  10          2HB       PRO  10   4.968   6.023   5.166
   62   2HB   PRO  10          1HB       PRO  10   5.122   7.780   5.006
   63   1HG   PRO  10          2HG       PRO  10   3.747   5.837   3.239
   64   2HG   PRO  10          1HG       PRO  10   3.337   7.520   3.605
   65   1HD   PRO  10          2HD       PRO  10   4.581   6.653   1.286
   66   2HD   PRO  10          1HD       PRO  10   4.606   8.319   1.900
   67    H    CYS  11           H        CYS  11   8.488   5.640   4.982
   68    HA   CYS  11           HA       CYS  11   7.902   2.886   4.082
   69   1HB   CYS  11          2HB       CYS  11  10.208   2.451   3.899
   70   2HB   CYS  11          1HB       CYS  11   9.977   4.017   3.137
   71    HA   PRO  12           HA       PRO  12   7.687   1.960   8.412
   72   1HB   PRO  12          2HB       PRO  12   7.714  -0.741   8.247
   73   2HB   PRO  12          1HB       PRO  12   6.301   0.244   7.836
   74   1HG   PRO  12          2HG       PRO  12   8.225  -1.130   6.054
   75   2HG   PRO  12          1HG       PRO  12   6.504  -0.788   5.813
   76   1HD   PRO  12          2HD       PRO  12   8.613   0.635   4.679
   77   2HD   PRO  12          1HD       PRO  12   6.933   1.196   4.807
   78    H    TYR  13           H        TYR  13  10.053   0.190   6.443
   79    HA   TYR  13           HA       TYR  13  12.077   0.602   8.529
   80   1HB   TYR  13          2HB       TYR  13  12.043  -2.048   7.187
   81   2HB   TYR  13          1HB       TYR  13  12.631  -1.605   8.783
   82    HD1  TYR  13           HD2      TYR  13  10.938  -1.148  10.607
   83    HD2  TYR  13           HD1      TYR  13   9.905  -2.940   6.874
   84    HE1  TYR  13           HE2      TYR  13   8.850  -2.010  11.595
   85    HE2  TYR  13           HE1      TYR  13   7.819  -3.800   7.865
   86    HH   TYR  13           HH       TYR  13   6.727  -4.176   9.819
   87    H    ASN  14           H        ASN  14  14.285   0.133   7.683
   88    HA   ASN  14           HA       ASN  14  14.675   1.391   5.157
   89   1HB   ASN  14          2HB       ASN  14  16.765  -0.203   6.621
   90   2HB   ASN  14          1HB       ASN  14  16.974   1.215   5.606
   91   1HD2  ASN  14          1HD2      ASN  14  18.225   1.641   7.696
   92   2HD2  ASN  14          2HD2      ASN  14  17.379   2.540   8.895
   93    H    GLU  15           H        GLU  15  13.855  -1.747   6.019
   94    HA   GLU  15           HA       GLU  15  15.199  -3.042   3.774
   95   1HB   GLU  15          2HB       GLU  15  14.428  -3.890   6.297
   96   2HB   GLU  15          1HB       GLU  15  13.245  -4.636   5.224
   97   1HG   GLU  15          2HG       GLU  15  15.560  -5.084   3.851
   98   2HG   GLU  15          1HG       GLU  15  16.127  -5.171   5.519
   99    H    ASN  16           H        ASN  16  12.701  -1.075   3.873
  100    HA   ASN  16           HA       ASN  16  11.162  -2.618   1.879
  101   1HB   ASN  16          2HB       ASN  16  10.126  -2.138   4.268
  102   2HB   ASN  16          1HB       ASN  16   9.782  -0.568   3.541
  103   1HD2  ASN  16          2HD2      ASN  16   6.801  -2.185   2.557
  104   2HD2  ASN  16          1HD2      ASN  16   7.533  -1.179   3.753
  105    H    CYS  17           H        CYS  17  13.268  -0.253   2.114
  106    HA   CYS  17           HA       CYS  17  11.853   1.793   0.580
  107   1HB   CYS  17          2HB       CYS  17  14.176   1.710   2.267
  108   2HB   CYS  17          1HB       CYS  17  14.600   2.382   0.701
  109    H    CYS  18           H        CYS  18  12.351   2.353  -1.520
  110    HA   CYS  18           HA       CYS  18  13.154   0.275  -3.274
  111   1HB   CYS  18          2HB       CYS  18  12.668   3.224  -3.611
  112   2HB   CYS  18          1HB       CYS  18  13.229   2.230  -4.944
  113    H    SER  19           H        SER  19  14.729   3.041  -1.844
  114    HA   SER  19           HA       SER  19  17.238   2.530  -3.225
  115   1HB   SER  19          2HB       SER  19  17.888   4.641  -2.569
  116   2HB   SER  19          1HB       SER  19  16.141   4.852  -2.653
  117    HG   SER  19           HG       SER  19  16.062   4.512  -0.395
  118    H    GLN  20           H        GLN  20  15.659   1.391  -0.546
  119    HA   GLN  20           HA       GLN  20  16.306   0.071   1.204
  120   1HB   GLN  20          2HB       GLN  20  19.018   0.344  -0.097
  121   2HB   GLN  20          1HB       GLN  20  18.693  -0.673   1.302
  122   1HG   GLN  20          2HG       GLN  20  17.469  -0.926  -1.451
  123   2HG   GLN  20          1HG       GLN  20  18.595  -2.045  -0.683
  124   1HE2  GLN  20          2HE2      GLN  20  16.057  -3.013   1.796
  125   2HE2  GLN  20          1HE2      GLN  20  17.654  -2.356   1.798
  126    H    SER  21           H        SER  21  16.761   3.198   0.926
  127    HA   SER  21           HA       SER  21  18.170   3.464   3.513
  128   1HB   SER  21          2HB       SER  21  18.325   5.025   0.996
  129   2HB   SER  21          1HB       SER  21  18.381   5.932   2.501
  130    HG   SER  21           HG       SER  21  19.973   3.873   2.846
  131    H    CYS  22           H        CYS  22  16.566   3.622   4.988
  132    HA   CYS  22           HA       CYS  22  14.252   5.353   4.420
  133   1HB   CYS  22          2HB       CYS  22  14.775   3.087   6.274
  134   2HB   CYS  22          1HB       CYS  22  13.627   4.313   6.785
  135    H    THR  23           H        THR  23  13.712   7.066   5.784
  136    HA   THR  23           HA       THR  23  15.693   7.838   7.827
  137    HB   THR  23           HB       THR  23  16.432   9.193   6.112
  138    HG1  THR  23           HG1      THR  23  16.090  10.867   7.333
  139   1HG2  THR  23          1HG2      THR  23  14.660   8.458   4.516
  140   2HG2  THR  23          3HG2      THR  23  13.593   9.681   5.210
  141   3HG2  THR  23          2HG2      THR  23  15.074  10.169   4.383
  142    H    PHE  24           H        PHE  24  14.762   9.935   8.969
  143    HA   PHE  24           HA       PHE  24  11.887   9.484   9.493
  144   1HB   PHE  24          2HB       PHE  24  14.144   9.356  11.264
  145   2HB   PHE  24          1HB       PHE  24  13.078  10.665  11.755
  146    HD1  PHE  24           HD1      PHE  24  10.522  10.037  11.831
  147    HD2  PHE  24           HD2      PHE  24  13.728   7.225  12.022
  148    HE1  PHE  24           HE1      PHE  24   9.023   8.401  12.903
  149    HE2  PHE  24           HE2      PHE  24  12.229   5.589  13.094
  150    HZ   PHE  24           HZ       PHE  24   9.876   6.177  13.535
  151    H    LYS  25           H        LYS  25  10.730  11.191   8.861
  152    HA   LYS  25           HA       LYS  25  11.930  13.884   9.088
  153   1HB   LYS  25          2HB       LYS  25  10.001  12.797   7.035
  154   2HB   LYS  25          1HB       LYS  25  10.403  14.506   7.202
  155   1HG   LYS  25          2HG       LYS  25  12.668  14.134   6.603
  156   2HG   LYS  25          1HG       LYS  25  12.514  12.391   6.806
  157   1HD   LYS  25          2HD       LYS  25  11.501  12.104   4.774
  158   2HD   LYS  25          1HD       LYS  25  10.725  13.685   4.818
  159   1HE   LYS  25          2HE       LYS  25  13.485  14.199   4.724
  160   2HE   LYS  25          1HE       LYS  25  13.205  12.901   3.567
  161   1HZ   LYS  25          1HZ       LYS  25  11.332  14.313   2.699
  162   2HZ   LYS  25          3HZ       LYS  25  11.956  15.582   3.636
  163   3HZ   LYS  25          2HZ       LYS  25  12.901  14.895   2.402
  164    H    GLU  26           H        GLU  26  10.492  15.598   9.661
  165    HA   GLU  26           HA       GLU  26   8.408  14.732  11.483
  166   1HB   GLU  26          2HB       GLU  26  10.277  16.565  11.827
  167   2HB   GLU  26          1HB       GLU  26   9.076  17.599  11.057
  168   1HG   GLU  26          2HG       GLU  26   7.488  17.207  12.768
  169   2HG   GLU  26          1HG       GLU  26   8.388  15.826  13.396
  170    H    ASN  27           H        ASN  27   6.271  15.222  11.312
  171    HA   ASN  27           HA       ASN  27   5.338  16.108   8.679
  172   1HB   ASN  27          2HB       ASN  27   3.236  15.322  10.499
  173   2HB   ASN  27          1HB       ASN  27   3.687  14.625   8.949
  174   1HD2  ASN  27          2HD2      ASN  27   4.207  12.373  12.048
  175   2HD2  ASN  27          1HD2      ASN  27   2.988  13.561  11.750
  176    H    GLU  28           H        GLU  28   2.866  17.058   9.245
  177    HA   GLU  28           HA       GLU  28   3.464  19.639  10.437
  178   1HB   GLU  28          2HB       GLU  28   2.289  19.395   8.220
  179   2HB   GLU  28          1HB       GLU  28   0.909  18.751   9.106
  180   1HG   GLU  28          2HG       GLU  28   0.300  20.960   9.056
  181   2HG   GLU  28          1HG       GLU  28   1.273  20.982  10.527
  182    H    ASN  29           H        ASN  29   1.855  16.704  11.170
  183    HA   ASN  29           HA       ASN  29  -0.032  17.657  13.072
  184   1HB   ASN  29          2HB       ASN  29   0.155  15.339  11.894
  185   2HB   ASN  29          1HB       ASN  29   1.230  14.943  13.236
  186   1HD2  ASN  29          2HD2      ASN  29  -1.667  13.927  14.918
  187   2HD2  ASN  29          1HD2      ASN  29  -0.205  13.453  14.127
  188    H    GLY  30           H        GLY  30   3.344  17.436  13.111
  189   1HA   GLY  30          2HA       GLY  30   4.697  18.362  14.805
  190   2HA   GLY  30          1HA       GLY  30   3.401  18.065  15.959
  191    H    ASN  31           H        ASN  31   3.947  15.461  13.873
  192    HA   ASN  31           HA       ASN  31   5.400  14.008  15.992
  193   1HB   ASN  31          2HB       ASN  31   3.281  13.251  14.042
  194   2HB   ASN  31          1HB       ASN  31   4.469  12.025  14.485
  195   1HD2  ASN  31          2HD2      ASN  31   1.676  13.305  17.157
  196   2HD2  ASN  31          1HD2      ASN  31   1.910  14.088  15.635
  197    H    THR  32           H        THR  32   6.379  11.889  14.694
  198    HA   THR  32           HA       THR  32   7.888  12.855  12.371
  199    HB   THR  32           HB       THR  32   9.090  13.134  14.687
  200    HG1  THR  32           HG1      THR  32  10.153  13.538  12.785
  201   1HG2  THR  32          2HG2      THR  32   8.656  10.730  15.316
  202   2HG2  THR  32          1HG2      THR  32   9.810  10.272  14.061
  203   3HG2  THR  32          3HG2      THR  32  10.340  11.246  15.434
  204    H    VAL  33           H        VAL  33   7.774  11.401  10.812
  205    HA   VAL  33           HA       VAL  33   7.401   8.557  11.533
  206    HB   VAL  33           HB       VAL  33   6.554   9.624   8.886
  207   1HG1  VAL  33          3HG1      VAL  33   6.107   7.267  10.555
  208   2HG1  VAL  33          2HG1      VAL  33   4.628   7.916   9.842
  209   3HG1  VAL  33          1HG1      VAL  33   5.981   7.459   8.805
  210   1HG2  VAL  33          3HG2      VAL  33   5.410  10.433  11.471
  211   2HG2  VAL  33          2HG2      VAL  33   5.246  11.173   9.877
  212   3HG2  VAL  33          1HG2      VAL  33   4.235   9.795  10.319
  213    H    LYS  34           H        LYS  34   7.914   7.283   9.274
  214    HA   LYS  34           HA       LYS  34  10.649   8.136   8.556
  215   1HB   LYS  34          2HB       LYS  34   9.465   5.512   9.241
  216   2HB   LYS  34          1HB       LYS  34  10.632   5.519   7.922
  217   1HG   LYS  34          2HG       LYS  34  12.325   6.463   9.311
  218   2HG   LYS  34          1HG       LYS  34  11.165   6.812  10.590
  219   1HD   LYS  34          2HD       LYS  34  11.347   4.742  11.447
  220   2HD   LYS  34          1HD       LYS  34  11.179   3.993   9.862
  221   1HE   LYS  34          2HE       LYS  34  13.353   3.492   9.903
  222   2HE   LYS  34          1HE       LYS  34  13.725   5.213   9.907
  223   1HZ   LYS  34          2HZ       LYS  34  13.043   3.785  12.399
  224   2HZ   LYS  34          1HZ       LYS  34  14.630   3.787  11.792
  225   3HZ   LYS  34          3HZ       LYS  34  13.881   5.251  12.208
  226    H    ARG  35           H        ARG  35  11.160   8.339   6.443
  227    HA   ARG  35           HA       ARG  35   9.149   7.546   4.433
  228   1HB   ARG  35          2HB       ARG  35  10.704  10.095   4.736
  229   2HB   ARG  35          1HB       ARG  35  10.149   9.571   3.149
  230   1HG   ARG  35          2HG       ARG  35   7.966   9.991   3.626
  231   2HG   ARG  35          1HG       ARG  35   8.131   9.498   5.308
  232   1HD   ARG  35          2HD       ARG  35   9.600  11.721   5.418
  233   2HD   ARG  35          1HD       ARG  35   8.570  12.163   4.057
  234    HE   ARG  35           HE       ARG  35   7.001  11.132   6.188
  235   1HH1  ARG  35          1HH2      ARG  35   8.803  13.916   5.132
  236   2HH1  ARG  35          2HH2      ARG  35   7.897  15.035   6.094
  237   1HH2  ARG  35          2HH1      ARG  35   5.815  12.595   7.488
  238   2HH2  ARG  35          1HH1      ARG  35   6.198  14.283   7.433
  239    H    CYS  36           H        CYS  36  10.509   8.033   2.158
  240    HA   CYS  36           HA       CYS  36  12.824   6.214   2.365
  241   1HB   CYS  36          2HB       CYS  36  10.634   5.739   0.957
  242   2HB   CYS  36          1HB       CYS  36  11.453   6.746  -0.221
  243    H    ASP  37           HN       ASP  37  14.722   6.712   1.327
  244    HA   ASP  37           HA       ASP  37  15.295   9.505   0.981
  245   1HB   ASP  37          2HB       ASP  37  16.830   6.956   0.948
  246   2HB   ASP  37          1HB       ASP  37  17.539   8.345   0.123
   
  No H/Q in entry =         246
  Start of MODEL    2
    1   1H    SER   1          1H        SER   1   1.172  -5.056  -2.512
    2   2H    SER   1          3H        SER   1   0.877  -3.970  -1.243
    3   3H    SER   1          2H        SER   1   0.523  -3.522  -2.843
    4    HA   SER   1           HA       SER   1   2.516  -2.651  -3.048
    5   1HB   SER   1          2HB       SER   1   2.877  -3.798  -0.293
    6   2HB   SER   1          1HB       SER   1   4.188  -2.963  -1.117
    7    HG   SER   1           HG       SER   1   3.160  -1.338  -0.096
    8    HA   PRO   2           HA       PRO   2   4.319  -6.562  -4.583
    9   1HB   PRO   2          2HB       PRO   2   4.412  -5.841  -7.187
   10   2HB   PRO   2          1HB       PRO   2   2.978  -6.542  -6.423
   11   1HG   PRO   2          2HG       PRO   2   3.497  -3.759  -7.242
   12   2HG   PRO   2          1HG       PRO   2   1.960  -4.621  -7.073
   13   1HD   PRO   2          2HD       PRO   2   3.071  -2.779  -5.248
   14   2HD   PRO   2          1HD       PRO   2   1.665  -3.828  -4.980
   15    H    THR   3           H        THR   3   5.145  -3.233  -5.419
   16    HA   THR   3           HA       THR   3   7.970  -4.006  -5.746
   17    HB   THR   3           HB       THR   3   7.283  -2.812  -7.638
   18    HG1  THR   3           HG1      THR   3   8.312  -0.776  -5.955
   19   1HG2  THR   3          3HG2      THR   3   5.813  -1.030  -5.710
   20   2HG2  THR   3          2HG2      THR   3   6.132  -0.546  -7.377
   21   3HG2  THR   3          1HG2      THR   3   5.159  -1.981  -7.045
   22    H    CYS   4           H        CYS   4   9.493  -2.155  -5.020
   23    HA   CYS   4           HA       CYS   4   9.213  -1.878  -2.193
   24   1HB   CYS   4          2HB       CYS   4  11.314  -0.514  -2.449
   25   2HB   CYS   4          1HB       CYS   4  11.401  -2.160  -3.056
   26    H    ILE   5           H        ILE   5   9.737   0.369  -1.219
   27    HA   ILE   5           HA       ILE   5   7.647   2.204  -2.139
   28    HB   ILE   5           HB       ILE   5   9.341   2.093   0.347
   29   1HG1  ILE   5          2HG1      ILE   5   6.571   2.008   0.891
   30   2HG1  ILE   5          1HG1      ILE   5   6.857   0.889  -0.439
   31   1HG2  ILE   5          1HG2      ILE   5   7.263   4.102  -0.509
   32   2HG2  ILE   5          3HG2      ILE   5   7.766   3.889   1.169
   33   3HG2  ILE   5          2HG2      ILE   5   8.939   4.402  -0.046
   34   1HD1  ILE   5          2HD1      ILE   5   8.571   0.890   2.039
   35   2HD1  ILE   5          1HD1      ILE   5   7.080  -0.048   1.932
   36   3HD1  ILE   5          3HD1      ILE   5   8.409  -0.375   0.820
   37    HA   PRO   6           HA       PRO   6  10.974   4.531  -4.075
   38   1HB   PRO   6          2HB       PRO   6   9.373   6.252  -5.413
   39   2HB   PRO   6          1HB       PRO   6   9.743   4.616  -5.979
   40   1HG   PRO   6          2HG       PRO   6   7.289   5.646  -4.658
   41   2HG   PRO   6          1HG       PRO   6   7.460   4.409  -5.915
   42   1HD   PRO   6          2HD       PRO   6   7.038   3.865  -3.248
   43   2HD   PRO   6          1HD       PRO   6   7.786   2.736  -4.395
   44    H    SER   7           H        SER   7  11.776   6.644  -3.923
   45    HA   SER   7           HA       SER   7  11.678   7.901  -1.491
   46   1HB   SER   7          2HB       SER   7  12.916   9.629  -2.440
   47   2HB   SER   7          1HB       SER   7  13.240   8.277  -3.519
   48    HG   SER   7           HG       SER   7  12.011   9.201  -5.051
   49    H    GLY   8           H        GLY   8  10.582   9.612  -0.581
   50   1HA   GLY   8          2HA       GLY   8   9.016  11.369  -0.484
   51   2HA   GLY   8          1HA       GLY   8   8.387  10.869  -2.054
   52    H    GLN   9           H        GLN   9   8.382   8.015  -1.027
   53    HA   GLN   9           HA       GLN   9   5.729   8.153   0.208
   54   1HB   GLN   9          2HB       GLN   9   7.264   6.109  -1.320
   55   2HB   GLN   9          1HB       GLN   9   6.039   5.549  -0.185
   56   1HG   GLN   9          2HG       GLN   9   4.377   7.012  -1.303
   57   2HG   GLN   9          1HG       GLN   9   5.611   7.484  -2.472
   58   1HE2  GLN   9          2HE2      GLN   9   3.975   3.729  -2.591
   59   2HE2  GLN   9          1HE2      GLN   9   3.882   4.697  -1.162
   60    HA   PRO  10           HA       PRO  10   7.162   6.926   4.193
   61   1HB   PRO  10          2HB       PRO  10   5.015   5.572   5.133
   62   2HB   PRO  10          1HB       PRO  10   5.052   7.334   4.956
   63   1HG   PRO  10          2HG       PRO  10   3.734   5.293   3.256
   64   2HG   PRO  10          1HG       PRO  10   3.231   6.950   3.630
   65   1HD   PRO  10          2HD       PRO  10   4.434   6.148   1.267
   66   2HD   PRO  10          1HD       PRO  10   4.382   7.815   1.873
   67    H    CYS  11           H        CYS  11   8.316   5.293   5.092
   68    HA   CYS  11           HA       CYS  11   7.871   2.544   4.116
   69   1HB   CYS  11          2HB       CYS  11  10.204   2.190   3.811
   70   2HB   CYS  11          1HB       CYS  11   9.785   3.660   2.943
   71    HA   PRO  12           HA       PRO  12   8.107   1.634   8.442
   72   1HB   PRO  12          2HB       PRO  12   8.200  -1.065   8.272
   73   2HB   PRO  12          1HB       PRO  12   6.725  -0.124   7.998
   74   1HG   PRO  12          2HG       PRO  12   8.491  -1.467   6.048
   75   2HG   PRO  12          1HG       PRO  12   6.756  -1.128   5.958
   76   1HD   PRO  12          2HD       PRO  12   8.787   0.308   4.670
   77   2HD   PRO  12          1HD       PRO  12   7.103   0.827   4.875
   78    H    TYR  13           H        TYR  13  10.094  -0.753   6.691
   79    HA   TYR  13           HA       TYR  13  12.306  -0.207   8.569
   80   1HB   TYR  13          2HB       TYR  13  12.385  -2.530   6.725
   81   2HB   TYR  13          1HB       TYR  13  12.961  -2.387   8.379
   82    HD1  TYR  13           HD2      TYR  13  10.709  -1.676   9.956
   83    HD2  TYR  13           HD1      TYR  13  10.859  -4.208   6.525
   84    HE1  TYR  13           HE2      TYR  13   8.694  -2.862  10.739
   85    HE2  TYR  13           HE1      TYR  13   8.847  -5.393   7.311
   86    HH   TYR  13           HH       TYR  13   6.808  -4.235   9.610
   87    H    ASN  14           H        ASN  14  14.489  -0.254   7.661
   88    HA   ASN  14           HA       ASN  14  14.703   1.354   5.306
   89   1HB   ASN  14          2HB       ASN  14  16.992  -0.095   6.607
   90   2HB   ASN  14          1HB       ASN  14  16.989   1.469   5.804
   91   1HD2  ASN  14          2HD2      ASN  14  17.162   2.203   9.339
   92   2HD2  ASN  14          1HD2      ASN  14  18.148   1.505   8.114
   93    H    GLU  15           H        GLU  15  14.140  -1.882   5.719
   94    HA   GLU  15           HA       GLU  15  15.675  -2.739   3.367
   95   1HB   GLU  15          2HB       GLU  15  14.902  -3.972   5.825
   96   2HB   GLU  15          1HB       GLU  15  14.177  -4.869   4.493
   97   1HG   GLU  15          2HG       GLU  15  16.239  -5.430   3.574
   98   2HG   GLU  15          1HG       GLU  15  17.064  -4.071   4.341
   99    H    ASN  16           H        ASN  16  12.864  -1.252   3.809
  100    HA   ASN  16           HA       ASN  16  11.392  -2.908   1.851
  101   1HB   ASN  16          2HB       ASN  16  10.445  -2.349   4.230
  102   2HB   ASN  16          1HB       ASN  16  10.070  -0.790   3.497
  103   1HD2  ASN  16          2HD2      ASN  16   7.063  -2.626   2.872
  104   2HD2  ASN  16          1HD2      ASN  16   7.880  -1.756   4.116
  105    H    CYS  17           H        CYS  17  13.122  -0.063   2.243
  106    HA   CYS  17           HA       CYS  17  11.628   1.570   0.380
  107   1HB   CYS  17          2HB       CYS  17  13.910   1.887   2.163
  108   2HB   CYS  17          1HB       CYS  17  14.155   2.666   0.606
  109    H    CYS  18           H        CYS  18  12.259   2.112  -1.717
  110    HA   CYS  18           HA       CYS  18  13.342   0.071  -3.304
  111   1HB   CYS  18          2HB       CYS  18  12.864   3.000  -3.768
  112   2HB   CYS  18          1HB       CYS  18  13.582   1.983  -5.006
  113    H    SER  19           H        SER  19  14.777   2.950  -1.888
  114    HA   SER  19           HA       SER  19  17.387   2.345  -3.008
  115   1HB   SER  19          2HB       SER  19  18.053   4.466  -2.254
  116   2HB   SER  19          1HB       SER  19  16.383   4.693  -2.761
  117    HG   SER  19           HG       SER  19  15.754   4.635  -0.608
  118    H    GLN  20           H        GLN  20  15.565   1.512  -0.314
  119    HA   GLN  20           HA       GLN  20  16.086   0.191   1.497
  120   1HB   GLN  20          2HB       GLN  20  18.385  -0.042  -0.164
  121   2HB   GLN  20          1HB       GLN  20  18.925   0.167   1.500
  122   1HG   GLN  20          2HG       GLN  20  18.591  -2.069   1.640
  123   2HG   GLN  20          1HG       GLN  20  16.897  -1.619   1.836
  124   1HE2  GLN  20          1HE2      GLN  20  15.524  -2.561   0.490
  125   2HE2  GLN  20          2HE2      GLN  20  15.899  -3.216  -1.065
  126    H    SER  21           H        SER  21  16.736   3.318   1.030
  127    HA   SER  21           HA       SER  21  18.020   3.754   3.640
  128   1HB   SER  21          2HB       SER  21  17.594   6.148   2.109
  129   2HB   SER  21          1HB       SER  21  19.100   5.434   2.663
  130    HG   SER  21           HG       SER  21  19.342   5.171   0.547
  131    H    CYS  22           H        CYS  22  16.362   3.626   5.097
  132    HA   CYS  22           HA       CYS  22  13.950   5.243   4.629
  133   1HB   CYS  22          2HB       CYS  22  14.613   2.906   6.355
  134   2HB   CYS  22          1HB       CYS  22  13.364   4.017   6.900
  135    H    THR  23           H        THR  23  13.461   6.986   5.875
  136    HA   THR  23           HA       THR  23  15.274   7.652   8.106
  137    HB   THR  23           HB       THR  23  16.133   8.960   6.358
  138    HG1  THR  23           HG1      THR  23  14.364  10.908   7.190
  139   1HG2  THR  23          2HG2      THR  23  13.344   8.973   5.436
  140   2HG2  THR  23          1HG2      THR  23  14.201  10.499   5.201
  141   3HG2  THR  23          3HG2      THR  23  14.846   9.009   4.509
  142    H    PHE  24           H        PHE  24  14.363   9.665   9.275
  143    HA   PHE  24           HA       PHE  24  11.440   9.364   9.595
  144   1HB   PHE  24          2HB       PHE  24  13.578   9.105  11.485
  145   2HB   PHE  24          1HB       PHE  24  12.581  10.484  11.925
  146    HD1  PHE  24           HD1      PHE  24   9.975  10.017  11.828
  147    HD2  PHE  24           HD2      PHE  24  12.988   7.023  12.257
  148    HE1  PHE  24           HE1      PHE  24   8.315   8.487  12.818
  149    HE2  PHE  24           HE2      PHE  24  11.328   5.494  13.246
  150    HZ   PHE  24           HZ       PHE  24   8.992   6.226  13.527
  151    H    LYS  25           H        LYS  25  10.532  11.101   8.661
  152    HA   LYS  25           HA       LYS  25  11.871  13.716   8.864
  153   1HB   LYS  25          2HB       LYS  25  10.007  12.455   6.945
  154   2HB   LYS  25          1HB       LYS  25   9.770  14.176   7.239
  155   1HG   LYS  25          2HG       LYS  25  11.896  14.732   6.444
  156   2HG   LYS  25          1HG       LYS  25  12.512  13.097   6.666
  157   1HD   LYS  25          2HD       LYS  25  10.643  12.523   4.879
  158   2HD   LYS  25          1HD       LYS  25  10.852  14.220   4.454
  159   1HE   LYS  25          2HE       LYS  25  13.434  13.041   4.778
  160   2HE   LYS  25          1HE       LYS  25  12.478  12.007   3.721
  161   1HZ   LYS  25          3HZ       LYS  25  12.179  14.787   3.113
  162   2HZ   LYS  25          2HZ       LYS  25  13.792  14.269   2.987
  163   3HZ   LYS  25          1HZ       LYS  25  12.576  13.491   2.092
  164    H    GLU  26           H        GLU  26  10.825  15.513   9.708
  165    HA   GLU  26           HA       GLU  26   8.718  14.919  11.614
  166   1HB   GLU  26          2HB       GLU  26  10.788  16.284  12.160
  167   2HB   GLU  26          1HB       GLU  26  10.081  17.567  11.179
  168   1HG   GLU  26          2HG       GLU  26   8.567  18.107  12.769
  169   2HG   GLU  26          1HG       GLU  26   8.241  16.418  13.163
  170    H    ASN  27           H        ASN  27   6.672  15.698  11.530
  171    HA   ASN  27           HA       ASN  27   5.857  17.001   9.023
  172   1HB   ASN  27          2HB       ASN  27   3.583  16.259  10.522
  173   2HB   ASN  27          1HB       ASN  27   4.190  15.518   9.047
  174   1HD2  ASN  27          2HD2      ASN  27   4.174  13.400  12.366
  175   2HD2  ASN  27          1HD2      ASN  27   3.213  14.796  12.030
  176    H    GLU  28           H        GLU  28   3.576  18.182   9.594
  177    HA   GLU  28           HA       GLU  28   4.363  20.422  11.268
  178   1HB   GLU  28          2HB       GLU  28   3.444  20.761   8.969
  179   2HB   GLU  28          1HB       GLU  28   1.910  20.109   9.540
  180   1HG   GLU  28          2HG       GLU  28   1.489  22.333   9.883
  181   2HG   GLU  28          1HG       GLU  28   2.274  21.973  11.422
  182    H    ASN  29           H        ASN  29   2.087  17.791  11.159
  183    HA   ASN  29           HA       ASN  29   0.136  18.546  12.952
  184   1HB   ASN  29          2HB       ASN  29   0.162  16.398  11.731
  185   2HB   ASN  29          1HB       ASN  29   1.463  15.833  12.781
  186   1HD2  ASN  29          2HD2      ASN  29  -0.849  14.552  15.018
  187   2HD2  ASN  29          1HD2      ASN  29   0.600  14.362  14.096
  188    H    GLY  30           H        GLY  30   3.458  17.661  13.552
  189   1HA   GLY  30          2HA       GLY  30   4.548  18.636  15.496
  190   2HA   GLY  30          1HA       GLY  30   3.079  18.284  16.400
  191    H    ASN  31           H        ASN  31   4.345  16.015  14.092
  192    HA   ASN  31           HA       ASN  31   5.542  14.384  16.229
  193   1HB   ASN  31          2HB       ASN  31   3.052  13.827  14.858
  194   2HB   ASN  31          1HB       ASN  31   4.236  12.548  14.584
  195   1HD2  ASN  31          2HD2      ASN  31   2.306  11.997  17.774
  196   2HD2  ASN  31          1HD2      ASN  31   1.835  12.358  16.152
  197    H    THR  32           H        THR  32   6.113  12.136  14.764
  198    HA   THR  32           HA       THR  32   7.551  13.053  12.373
  199    HB   THR  32           HB       THR  32   8.997  13.125  14.483
  200    HG1  THR  32           HG1      THR  32   9.843  13.096  12.356
  201   1HG2  THR  32          1HG2      THR  32   8.721  10.143  14.113
  202   2HG2  THR  32          3HG2      THR  32  10.022  10.899  15.036
  203   3HG2  THR  32          2HG2      THR  32   8.346  11.089  15.556
  204    H    VAL  33           H        VAL  33   7.744  11.549  10.796
  205    HA   VAL  33           HA       VAL  33   6.809   8.806  11.357
  206    HB   VAL  33           HB       VAL  33   6.274  10.002   8.695
  207   1HG1  VAL  33          1HG1      VAL  33   5.079   7.927  10.480
  208   2HG1  VAL  33          3HG1      VAL  33   4.090   8.658   9.216
  209   3HG1  VAL  33          2HG1      VAL  33   5.577   7.808   8.791
  210   1HG2  VAL  33          3HG2      VAL  33   5.108  11.010  11.208
  211   2HG2  VAL  33          2HG2      VAL  33   5.207  11.771   9.618
  212   3HG2  VAL  33          1HG2      VAL  33   3.938  10.591   9.955
  213    H    LYS  34           H        LYS  34   7.362   7.454   9.225
  214    HA   LYS  34           HA       LYS  34  10.191   8.054   8.622
  215   1HB   LYS  34          2HB       LYS  34   8.736   5.568   9.269
  216   2HB   LYS  34          1HB       LYS  34   9.938   5.442   7.986
  217   1HG   LYS  34          2HG       LYS  34  11.671   6.248   9.419
  218   2HG   LYS  34          1HG       LYS  34  10.511   6.708  10.661
  219   1HD   LYS  34          2HD       LYS  34  10.570   4.657  11.561
  220   2HD   LYS  34          1HD       LYS  34  10.212   3.915  10.004
  221   1HE   LYS  34          2HE       LYS  34  12.323   3.219   9.798
  222   2HE   LYS  34          1HE       LYS  34  12.926   4.858  10.021
  223   1HZ   LYS  34          2HZ       LYS  34  12.043   3.300  12.353
  224   2HZ   LYS  34          1HZ       LYS  34  13.577   3.008  11.682
  225   3HZ   LYS  34          3HZ       LYS  34  13.187   4.552  12.264
  226    H    ARG  35           H        ARG  35  10.631   8.619   6.619
  227    HA   ARG  35           HA       ARG  35   8.792   7.815   4.450
  228   1HB   ARG  35          2HB       ARG  35  10.297  10.342   4.990
  229   2HB   ARG  35          1HB       ARG  35   9.952   9.883   3.325
  230   1HG   ARG  35          2HG       ARG  35   7.648  10.042   3.625
  231   2HG   ARG  35          1HG       ARG  35   7.768   9.880   5.376
  232   1HD   ARG  35          2HD       ARG  35   8.775  12.103   5.533
  233   2HD   ARG  35          1HD       ARG  35   8.719  12.265   3.780
  234    HE   ARG  35           HE       ARG  35   6.500  12.513   5.610
  235   1HH1  ARG  35          1HH1      ARG  35   6.085  13.404   1.815
  236   2HH1  ARG  35          2HH1      ARG  35   7.578  13.585   2.672
  237   1HH2  ARG  35          1HH2      ARG  35   4.514  11.581   4.352
  238   2HH2  ARG  35          2HH2      ARG  35   4.341  12.265   2.770
  239    H    CYS  36           H        CYS  36  10.154   8.207   2.256
  240    HA   CYS  36           HA       CYS  36  12.536   6.481   2.521
  241   1HB   CYS  36          2HB       CYS  36  10.388   5.876   1.124
  242   2HB   CYS  36          1HB       CYS  36  11.125   6.928  -0.068
  243    H    ASP  37           HN       ASP  37  14.466   7.276   1.981
  244    HA   ASP  37           HA       ASP  37  14.804  10.012   1.275
  245   1HB   ASP  37          2HB       ASP  37  16.594   7.663   1.676
  246   2HB   ASP  37          1HB       ASP  37  17.237   9.065   0.821
   
  No H/Q in entry =         246
  Start of MODEL    3
    1   1H    SER   1          1H        SER   1  10.411  -2.496 -11.381
    2   2H    SER   1          3H        SER   1  10.300  -4.097 -10.830
    3   3H    SER   1          2H        SER   1  10.071  -3.749 -12.477
    4    HA   SER   1           HA       SER   1   8.032  -2.716 -12.120
    5   1HB   SER   1          2HB       SER   1   8.262  -5.121 -10.308
    6   2HB   SER   1          1HB       SER   1   6.736  -4.394 -10.800
    7    HG   SER   1           HG       SER   1   8.681  -5.209 -12.699
    8    HA   PRO   2           HA       PRO   2   7.636  -0.161  -8.555
    9   1HB   PRO   2          2HB       PRO   2   4.998   0.426  -8.677
   10   2HB   PRO   2          1HB       PRO   2   6.197   1.102  -9.790
   11   1HG   PRO   2          2HG       PRO   2   4.201  -1.036 -10.239
   12   2HG   PRO   2          1HG       PRO   2   4.874   0.142 -11.378
   13   1HD   PRO   2          2HD       PRO   2   5.628  -2.534 -11.173
   14   2HD   PRO   2          1HD       PRO   2   6.549  -1.255 -11.989
   15    H    THR   3           H        THR   3   8.019  -1.513  -6.800
   16    HA   THR   3           HA       THR   3   5.610  -2.516  -5.446
   17    HB   THR   3           HB       THR   3   7.052  -4.306  -6.670
   18    HG1  THR   3           HG1      THR   3   5.598  -5.209  -5.417
   19   1HG2  THR   3          3HG2      THR   3   8.683  -3.857  -4.165
   20   2HG2  THR   3          2HG2      THR   3   8.856  -5.223  -5.271
   21   3HG2  THR   3          1HG2      THR   3   9.224  -3.587  -5.824
   22    H    CYS   4           H        CYS   4   9.073  -1.845  -5.150
   23    HA   CYS   4           HA       CYS   4   9.092  -1.583  -2.326
   24   1HB   CYS   4          2HB       CYS   4  11.285  -0.555  -2.662
   25   2HB   CYS   4          1HB       CYS   4  11.118  -2.032  -3.596
   26    H    ILE   5           H        ILE   5   9.478   0.399  -1.136
   27    HA   ILE   5           HA       ILE   5   7.628   2.483  -1.901
   28    HB   ILE   5           HB       ILE   5   9.521   2.355   0.439
   29   1HG1  ILE   5          2HG1      ILE   5   6.692   1.343   0.133
   30   2HG1  ILE   5          1HG1      ILE   5   8.135   0.384   0.455
   31   1HG2  ILE   5          2HG2      ILE   5   8.483   4.577  -0.151
   32   2HG2  ILE   5          1HG2      ILE   5   6.913   3.848   0.192
   33   3HG2  ILE   5          3HG2      ILE   5   8.122   3.982   1.472
   34   1HD1  ILE   5          1HD1      ILE   5   7.295   2.583   2.323
   35   2HD1  ILE   5          3HD1      ILE   5   6.586   0.970   2.440
   36   3HD1  ILE   5          2HD1      ILE   5   8.325   1.187   2.648
   37    HA   PRO   6           HA       PRO   6  10.950   4.729  -3.891
   38   1HB   PRO   6          2HB       PRO   6   9.386   6.629  -5.018
   39   2HB   PRO   6          1HB       PRO   6   9.593   5.003  -5.687
   40   1HG   PRO   6          2HG       PRO   6   7.303   6.157  -4.218
   41   2HG   PRO   6          1HG       PRO   6   7.331   4.888  -5.452
   42   1HD   PRO   6          2HD       PRO   6   7.084   4.492  -2.695
   43   2HD   PRO   6          1HD       PRO   6   7.488   3.246  -3.891
   44    H    SER   7           H        SER   7  11.893   6.807  -3.728
   45    HA   SER   7           HA       SER   7  12.037   7.920  -1.205
   46   1HB   SER   7          2HB       SER   7  13.143   9.833  -2.277
   47   2HB   SER   7          1HB       SER   7  13.723   8.299  -2.913
   48    HG   SER   7           HG       SER   7  12.555  10.342  -4.222
   49    H    GLY   8           H        GLY   8  10.850   9.288  -0.046
   50   1HA   GLY   8          2HA       GLY   8   9.550  11.277   0.218
   51   2HA   GLY   8          1HA       GLY   8   8.884  11.022  -1.393
   52    H    GLN   9           H        GLN   9   8.621   8.077  -0.625
   53    HA   GLN   9           HA       GLN   9   5.946   8.318   0.516
   54   1HB   GLN   9          2HB       GLN   9   7.362   6.422  -1.196
   55   2HB   GLN   9          1HB       GLN   9   6.402   5.638   0.056
   56   1HG   GLN   9          2HG       GLN   9   4.570   5.991  -1.179
   57   2HG   GLN   9          1HG       GLN   9   4.812   7.729  -0.994
   58   1HE2  GLN   9          2HE2      GLN   9   6.635   8.009  -4.109
   59   2HE2  GLN   9          1HE2      GLN   9   6.734   8.512  -2.459
   60    HA   PRO  10           HA       PRO  10   7.108   6.921   4.524
   61   1HB   PRO  10          2HB       PRO  10   4.834   5.697   5.339
   62   2HB   PRO  10          1HB       PRO  10   5.003   7.454   5.199
   63   1HG   PRO  10          2HG       PRO  10   3.622   5.541   3.406
   64   2HG   PRO  10          1HG       PRO  10   3.225   7.226   3.784
   65   1HD   PRO  10          2HD       PRO  10   4.479   6.363   1.465
   66   2HD   PRO  10          1HD       PRO  10   4.509   8.025   2.090
   67    H    CYS  11           H        CYS  11   8.467   5.331   4.985
   68    HA   CYS  11           HA       CYS  11   7.796   2.561   4.200
   69   1HB   CYS  11          2HB       CYS  11  10.137   2.126   3.937
   70   2HB   CYS  11          1HB       CYS  11   9.745   3.566   3.006
   71    HA   PRO  12           HA       PRO  12   7.973   1.768   8.561
   72   1HB   PRO  12          2HB       PRO  12   7.847  -0.933   8.473
   73   2HB   PRO  12          1HB       PRO  12   6.451   0.117   8.181
   74   1HG   PRO  12          2HG       PRO  12   8.088  -1.419   6.258
   75   2HG   PRO  12          1HG       PRO  12   6.382  -0.949   6.172
   76   1HD   PRO  12          2HD       PRO  12   8.501   0.286   4.823
   77   2HD   PRO  12          1HD       PRO  12   6.867   0.945   5.034
   78    H    TYR  13           H        TYR  13  10.013  -0.263   6.463
   79    HA   TYR  13           HA       TYR  13  12.194  -0.015   8.445
   80   1HB   TYR  13          2HB       TYR  13  12.036  -2.445   6.740
   81   2HB   TYR  13          1HB       TYR  13  12.699  -2.248   8.357
   82    HD1  TYR  13           HD2      TYR  13   9.615  -2.693   6.397
   83    HD2  TYR  13           HD1      TYR  13  11.339  -2.556  10.299
   84    HE1  TYR  13           HE2      TYR  13   7.546  -3.638   7.346
   85    HE2  TYR  13           HE1      TYR  13   9.268  -3.502  11.245
   86    HH   TYR  13           HH       TYR  13   7.131  -5.106   9.762
   87    H    ASN  14           H        ASN  14  14.343  -0.209   7.520
   88    HA   ASN  14           HA       ASN  14  14.646   1.280   5.116
   89   1HB   ASN  14          2HB       ASN  14  16.809  -0.359   6.417
   90   2HB   ASN  14          1HB       ASN  14  16.961   1.146   5.520
   91   1HD2  ASN  14          2HD2      ASN  14  17.337   2.204   8.911
   92   2HD2  ASN  14          1HD2      ASN  14  18.208   1.434   7.645
   93    H    GLU  15           H        GLU  15  13.919  -1.940   5.649
   94    HA   GLU  15           HA       GLU  15  15.343  -3.007   3.341
   95   1HB   GLU  15          2HB       GLU  15  14.385  -4.078   5.733
   96   2HB   GLU  15          1HB       GLU  15  13.327  -4.742   4.490
   97   1HG   GLU  15          2HG       GLU  15  14.947  -6.269   4.153
   98   2HG   GLU  15          1HG       GLU  15  15.835  -4.971   3.353
   99    H    ASN  16           H        ASN  16  12.345  -1.541   4.045
  100    HA   ASN  16           HA       ASN  16  11.022  -2.740   1.714
  101   1HB   ASN  16          2HB       ASN  16   9.982  -2.291   4.109
  102   2HB   ASN  16          1HB       ASN  16   9.695  -0.692   3.422
  103   1HD2  ASN  16          2HD2      ASN  16   6.673  -2.134   2.330
  104   2HD2  ASN  16          1HD2      ASN  16   7.433  -1.148   3.528
  105    H    CYS  17           H        CYS  17  13.194  -0.433   2.041
  106    HA   CYS  17           HA       CYS  17  11.843   1.663   0.512
  107   1HB   CYS  17          2HB       CYS  17  14.116   1.533   2.275
  108   2HB   CYS  17          1HB       CYS  17  14.580   2.249   0.736
  109    H    CYS  18           H        CYS  18  12.451   2.274  -1.560
  110    HA   CYS  18           HA       CYS  18  13.237   0.223  -3.331
  111   1HB   CYS  18          2HB       CYS  18  12.953   3.206  -3.609
  112   2HB   CYS  18          1HB       CYS  18  13.483   2.197  -4.945
  113    H    SER  19           H        SER  19  14.905   2.872  -1.781
  114    HA   SER  19           HA       SER  19  17.441   2.190  -3.045
  115   1HB   SER  19          2HB       SER  19  18.192   4.270  -2.407
  116   2HB   SER  19          1HB       SER  19  16.469   4.593  -2.567
  117    HG   SER  19           HG       SER  19  17.287   5.362  -0.559
  118    H    GLN  20           H        GLN  20  15.651   1.236  -0.419
  119    HA   GLN  20           HA       GLN  20  16.144  -0.120   1.362
  120   1HB   GLN  20          2HB       GLN  20  18.405  -0.385  -0.336
  121   2HB   GLN  20          1HB       GLN  20  18.984  -0.231   1.320
  122   1HG   GLN  20          2HG       GLN  20  18.478  -2.596   0.523
  123   2HG   GLN  20          1HG       GLN  20  17.725  -2.109   2.043
  124   1HE2  GLN  20          2HE2      GLN  20  15.475  -2.924  -1.244
  125   2HE2  GLN  20          1HE2      GLN  20  17.200  -2.863  -1.304
  126    H    SER  21           H        SER  21  16.783   2.997   1.051
  127    HA   SER  21           HA       SER  21  18.053   3.258   3.706
  128   1HB   SER  21          2HB       SER  21  18.257   4.840   1.198
  129   2HB   SER  21          1HB       SER  21  18.326   5.715   2.722
  130    HG   SER  21           HG       SER  21  20.066   4.356   3.334
  131    H    CYS  22           H        CYS  22  16.397   3.407   5.125
  132    HA   CYS  22           HA       CYS  22  14.109   5.147   4.494
  133   1HB   CYS  22          2HB       CYS  22  14.575   2.881   6.371
  134   2HB   CYS  22          1HB       CYS  22  13.388   4.095   6.816
  135    H    THR  23           H        THR  23  13.785   7.036   5.534
  136    HA   THR  23           HA       THR  23  15.598   7.720   7.770
  137    HB   THR  23           HB       THR  23  16.436   9.019   6.051
  138    HG1  THR  23           HG1      THR  23  16.126  10.680   7.305
  139   1HG2  THR  23          1HG2      THR  23  13.600   9.395   5.089
  140   2HG2  THR  23          3HG2      THR  23  15.011  10.183   4.380
  141   3HG2  THR  23          2HG2      THR  23  14.860   8.425   4.322
  142    H    PHE  24           H        PHE  24  14.696   9.825   8.867
  143    HA   PHE  24           HA       PHE  24  11.805   9.423   9.344
  144   1HB   PHE  24          2HB       PHE  24  14.034   9.412  11.128
  145   2HB   PHE  24          1HB       PHE  24  13.023  10.799  11.505
  146    HD1  PHE  24           HD2      PHE  24  10.446  10.281  11.651
  147    HD2  PHE  24           HD1      PHE  24  13.541   7.371  12.067
  148    HE1  PHE  24           HE2      PHE  24   8.896   8.806  12.873
  149    HE2  PHE  24           HE1      PHE  24  11.991   5.898  13.292
  150    HZ   PHE  24           HZ       PHE  24   9.668   6.615  13.695
  151    H    LYS  25           H        LYS  25  10.648  11.050   8.528
  152    HA   LYS  25           HA       LYS  25  11.848  13.739   8.366
  153   1HB   LYS  25          2HB       LYS  25  10.693  12.345   6.386
  154   2HB   LYS  25          1HB       LYS  25   9.262  13.136   7.042
  155   1HG   LYS  25          2HG       LYS  25   9.980  15.236   6.449
  156   2HG   LYS  25          1HG       LYS  25  11.684  14.808   6.586
  157   1HD   LYS  25          2HD       LYS  25  11.698  13.739   4.481
  158   2HD   LYS  25          1HD       LYS  25   9.939  13.668   4.413
  159   1HE   LYS  25          2HE       LYS  25  11.496  16.256   4.408
  160   2HE   LYS  25          1HE       LYS  25  11.011  15.418   2.937
  161   1HZ   LYS  25          2HZ       LYS  25   9.067  16.178   5.033
  162   2HZ   LYS  25          1HZ       LYS  25   9.494  17.233   3.772
  163   3HZ   LYS  25          3HZ       LYS  25   8.761  15.745   3.420
  164    H    GLU  26           H        GLU  26  10.461  15.570   8.905
  165    HA   GLU  26           HA       GLU  26   8.728  14.939  11.173
  166   1HB   GLU  26          2HB       GLU  26  10.761  16.593  11.204
  167   2HB   GLU  26          1HB       GLU  26   9.597  17.712  10.498
  168   1HG   GLU  26          2HG       GLU  26   9.070  18.158  12.656
  169   2HG   GLU  26          1HG       GLU  26   8.137  16.663  12.549
  170    H    ASN  27           H        ASN  27   6.627  15.540  11.265
  171    HA   ASN  27           HA       ASN  27   5.414  16.515   8.779
  172   1HB   ASN  27          2HB       ASN  27   3.475  15.789  10.758
  173   2HB   ASN  27          1HB       ASN  27   3.794  15.039   9.201
  174   1HD2  ASN  27          2HD2      ASN  27   4.519  12.932  12.402
  175   2HD2  ASN  27          1HD2      ASN  27   3.372  14.207  12.207
  176    H    GLU  28           H        GLU  28   3.215  17.714   9.402
  177    HA   GLU  28           HA       GLU  28   4.045  20.104  10.831
  178   1HB   GLU  28          2HB       GLU  28   2.945  20.167   8.557
  179   2HB   GLU  28          1HB       GLU  28   1.462  19.640   9.349
  180   1HG   GLU  28          2HG       GLU  28   2.281  21.748  10.930
  181   2HG   GLU  28          1HG       GLU  28   2.721  22.281   9.306
  182    H    ASN  29           H        ASN  29   2.240  17.277  11.355
  183    HA   ASN  29           HA       ASN  29   0.298  18.261  13.192
  184   1HB   ASN  29          2HB       ASN  29   0.466  15.974  11.912
  185   2HB   ASN  29          1HB       ASN  29   1.377  15.476  13.339
  186   1HD2  ASN  29          2HD2      ASN  29  -1.605  14.709  14.942
  187   2HD2  ASN  29          1HD2      ASN  29  -0.022  14.232  14.440
  188    H    GLY  30           H        GLY  30   3.649  17.845  13.387
  189   1HA   GLY  30          2HA       GLY  30   4.951  18.631  15.193
  190   2HA   GLY  30          1HA       GLY  30   3.588  18.326  16.265
  191    H    ASN  31           H        ASN  31   4.372  15.917  13.951
  192    HA   ASN  31           HA       ASN  31   5.717  14.288  16.020
  193   1HB   ASN  31          2HB       ASN  31   3.333  13.730  14.365
  194   2HB   ASN  31          1HB       ASN  31   4.512  12.424  14.472
  195   1HD2  ASN  31          2HD2      ASN  31   2.097  12.127  17.285
  196   2HD2  ASN  31          1HD2      ASN  31   1.983  12.176  15.563
  197    H    THR  32           H        THR  32   6.449  12.140  14.596
  198    HA   THR  32           HA       THR  32   7.773  13.082  12.155
  199    HB   THR  32           HB       THR  32   9.257  13.338  14.231
  200    HG1  THR  32           HG1      THR  32  10.354  13.451  12.391
  201   1HG2  THR  32          3HG2      THR  32   9.214  10.337  13.945
  202   2HG2  THR  32          2HG2      THR  32  10.488  11.216  14.792
  203   3HG2  THR  32          1HG2      THR  32   8.824  11.291  15.377
  204    H    VAL  33           H        VAL  33   7.791  11.600  10.588
  205    HA   VAL  33           HA       VAL  33   7.097   8.813  11.290
  206    HB   VAL  33           HB       VAL  33   6.539   9.878   8.575
  207   1HG1  VAL  33          2HG1      VAL  33   5.695   7.682  10.306
  208   2HG1  VAL  33          1HG1      VAL  33   4.357   8.471   9.466
  209   3HG1  VAL  33          3HG1      VAL  33   5.704   7.800   8.545
  210   1HG2  VAL  33          1HG2      VAL  33   5.213  10.837  11.059
  211   2HG2  VAL  33          3HG2      VAL  33   5.479  11.669   9.525
  212   3HG2  VAL  33          2HG2      VAL  33   4.184  10.478   9.670
  213    H    LYS  34           H        LYS  34   7.685   7.432   9.150
  214    HA   LYS  34           HA       LYS  34  10.490   8.120   8.522
  215   1HB   LYS  34          2HB       LYS  34   9.172   5.588   9.326
  216   2HB   LYS  34          1HB       LYS  34  10.436   5.477   8.105
  217   1HG   LYS  34          2HG       LYS  34  12.072   6.329   9.544
  218   2HG   LYS  34          1HG       LYS  34  10.879   7.047  10.623
  219   1HD   LYS  34          2HD       LYS  34  10.591   5.125  11.787
  220   2HD   LYS  34          1HD       LYS  34  10.676   4.122  10.342
  221   1HE   LYS  34          2HE       LYS  34  13.130   4.387  10.322
  222   2HE   LYS  34          1HE       LYS  34  13.029   5.353  11.789
  223   1HZ   LYS  34          2HZ       LYS  34  11.778   2.716  11.821
  224   2HZ   LYS  34          1HZ       LYS  34  13.475   2.772  11.839
  225   3HZ   LYS  34          3HZ       LYS  34  12.590   3.549  13.059
  226    H    ARG  35           H        ARG  35  10.902   8.478   6.443
  227    HA   ARG  35           HA       ARG  35   9.017   7.452   4.413
  228   1HB   ARG  35          2HB       ARG  35  10.434  10.058   4.716
  229   2HB   ARG  35          1HB       ARG  35  10.142   9.449   3.089
  230   1HG   ARG  35          2HG       ARG  35   7.929   9.866   3.205
  231   2HG   ARG  35          1HG       ARG  35   7.810   9.263   4.856
  232   1HD   ARG  35          2HD       ARG  35   9.227  11.588   5.202
  233   2HD   ARG  35          1HD       ARG  35   8.143  12.012   3.880
  234    HE   ARG  35           HE       ARG  35   6.714  10.688   5.949
  235   1HH1  ARG  35          1HH2      ARG  35   8.164  13.713   5.017
  236   2HH1  ARG  35          2HH2      ARG  35   7.171  14.665   6.069
  237   1HH2  ARG  35          2HH1      ARG  35   5.432  11.931   7.381
  238   2HH2  ARG  35          1HH1      ARG  35   5.618  13.653   7.412
  239    H    CYS  36           H        CYS  36  10.412   7.854   2.155
  240    HA   CYS  36           HA       CYS  36  12.716   6.041   2.464
  241   1HB   CYS  36          2HB       CYS  36  10.593   5.561   0.991
  242   2HB   CYS  36          1HB       CYS  36  11.405   6.605  -0.158
  243    H    ASP  37           HN       ASP  37  14.647   6.475   1.392
  244    HA   ASP  37           HA       ASP  37  15.157   9.309   0.922
  245   1HB   ASP  37          2HB       ASP  37  16.814   6.899   1.490
  246   2HB   ASP  37          1HB       ASP  37  17.566   8.229   0.608
   
  No H/Q in entry =         246
  Start of MODEL    4
    1   1H    SER   1          2H        SER   1   5.485   2.972  -8.918
    2   2H    SER   1          1H        SER   1   5.414   4.418  -8.030
    3   3H    SER   1          3H        SER   1   6.884   3.585  -8.172
    4    HA   SER   1           HA       SER   1   6.437   2.595  -6.270
    5   1HB   SER   1          2HB       SER   1   4.520   3.051  -5.005
    6   2HB   SER   1          1HB       SER   1   4.714   4.487  -6.003
    7    HG   SER   1           HG       SER   1   3.166   3.511  -7.459
    8    HA   PRO   2           HA       PRO   2   4.708  -0.952  -8.694
    9   1HB   PRO   2          2HB       PRO   2   6.946  -2.472  -8.652
   10   2HB   PRO   2          1HB       PRO   2   6.621  -1.255  -9.895
   11   1HG   PRO   2          2HG       PRO   2   8.451  -1.133  -7.567
   12   2HG   PRO   2          1HG       PRO   2   8.608  -0.392  -9.169
   13   1HD   PRO   2          2HD       PRO   2   7.816   0.935  -6.865
   14   2HD   PRO   2          1HD       PRO   2   7.526   1.496  -8.523
   15    H    THR   3           H        THR   3   6.977  -1.131  -5.972
   16    HA   THR   3           HA       THR   3   5.071  -2.618  -4.382
   17    HB   THR   3           HB       THR   3   6.403  -4.247  -5.894
   18    HG1  THR   3           HG1      THR   3   5.126  -4.824  -4.049
   19   1HG2  THR   3          1HG2      THR   3   8.467  -3.646  -3.772
   20   2HG2  THR   3          3HG2      THR   3   8.540  -4.981  -4.923
   21   3HG2  THR   3          2HG2      THR   3   8.620  -3.315  -5.499
   22    H    CYS   4           H        CYS   4   8.464  -1.647  -4.675
   23    HA   CYS   4           HA       CYS   4   8.824  -1.328  -1.845
   24   1HB   CYS   4          2HB       CYS   4  11.003  -0.431  -2.461
   25   2HB   CYS   4          1HB       CYS   4  10.680  -1.932  -3.311
   26    H    ILE   5           H        ILE   5   9.314   0.687  -0.796
   27    HA   ILE   5           HA       ILE   5   7.498   2.802  -1.565
   28    HB   ILE   5           HB       ILE   5   9.445   2.465   0.707
   29   1HG1  ILE   5          2HG1      ILE   5   6.821   2.741   1.635
   30   2HG1  ILE   5          1HG1      ILE   5   6.698   1.691   0.226
   31   1HG2  ILE   5          2HG2      ILE   5   8.391   4.884  -0.288
   32   2HG2  ILE   5          1HG2      ILE   5   7.497   4.510   1.187
   33   3HG2  ILE   5          3HG2      ILE   5   9.257   4.619   1.228
   34   1HD1  ILE   5          1HD1      ILE   5   8.899   1.116   2.138
   35   2HD1  ILE   5          3HD1      ILE   5   7.257   0.757   2.677
   36   3HD1  ILE   5          2HD1      ILE   5   7.890   0.004   1.210
   37    HA   PRO   6           HA       PRO   6  10.835   4.697  -3.938
   38   1HB   PRO   6          2HB       PRO   6   9.293   6.573  -5.132
   39   2HB   PRO   6          1HB       PRO   6   9.417   4.901  -5.699
   40   1HG   PRO   6          2HG       PRO   6   7.261   6.200  -4.111
   41   2HG   PRO   6          1HG       PRO   6   7.141   4.972  -5.384
   42   1HD   PRO   6          2HD       PRO   6   6.952   4.413  -2.710
   43   2HD   PRO   6          1HD       PRO   6   7.502   3.243  -3.928
   44    H    SER   7           H        SER   7  11.863   6.731  -3.931
   45    HA   SER   7           HA       SER   7  12.130   8.008  -1.503
   46   1HB   SER   7          2HB       SER   7  13.230   9.828  -2.748
   47   2HB   SER   7          1HB       SER   7  13.758   8.239  -3.290
   48    HG   SER   7           HG       SER   7  11.839   9.942  -4.538
   49    H    GLY   8           H        GLY   8  10.927   9.375  -0.366
   50   1HA   GLY   8          2HA       GLY   8   9.659  11.380  -0.114
   51   2HA   GLY   8          1HA       GLY   8   9.045  11.165  -1.752
   52    H    GLN   9           H        GLN   9   8.946   8.176  -0.434
   53    HA   GLN   9           HA       GLN   9   6.131   8.503   0.397
   54   1HB   GLN   9          2HB       GLN   9   7.492   6.618  -1.312
   55   2HB   GLN   9          1HB       GLN   9   6.684   5.780   0.012
   56   1HG   GLN   9          2HG       GLN   9   4.804   5.946  -1.205
   57   2HG   GLN   9          1HG       GLN   9   4.819   7.665  -0.810
   58   1HE2  GLN   9          2HE2      GLN   9   6.433   8.546  -3.944
   59   2HE2  GLN   9          1HE2      GLN   9   6.600   8.837  -2.250
   60    HA   PRO  10           HA       PRO  10   7.153   7.189   4.474
   61   1HB   PRO  10          2HB       PRO  10   4.858   5.972   5.240
   62   2HB   PRO  10          1HB       PRO  10   5.022   7.728   5.072
   63   1HG   PRO  10          2HG       PRO  10   3.722   5.770   3.259
   64   2HG   PRO  10          1HG       PRO  10   3.285   7.451   3.610
   65   1HD   PRO  10          2HD       PRO  10   4.614   6.609   1.338
   66   2HD   PRO  10          1HD       PRO  10   4.633   8.268   1.971
   67    H    CYS  11           H        CYS  11   8.573   5.618   4.871
   68    HA   CYS  11           HA       CYS  11   7.930   2.851   4.061
   69   1HB   CYS  11          2HB       CYS  11  10.223   2.428   3.836
   70   2HB   CYS  11          1HB       CYS  11  10.001   4.023   3.131
   71    HA   PRO  12           HA       PRO  12   7.730   1.853   8.368
   72   1HB   PRO  12          2HB       PRO  12   7.853  -0.845   8.169
   73   2HB   PRO  12          1HB       PRO  12   6.412   0.095   7.751
   74   1HG   PRO  12          2HG       PRO  12   8.409  -1.183   5.977
   75   2HG   PRO  12          1HG       PRO  12   6.678  -0.906   5.720
   76   1HD   PRO  12          2HD       PRO  12   8.738   0.612   4.627
   77   2HD   PRO  12          1HD       PRO  12   7.040   1.110   4.750
   78    H    TYR  13           H        TYR  13  10.152   0.125   6.424
   79    HA   TYR  13           HA       TYR  13  12.172   0.650   8.483
   80   1HB   TYR  13          2HB       TYR  13  12.168  -2.069   7.285
   81   2HB   TYR  13          1HB       TYR  13  12.752  -1.534   8.855
   82    HD1  TYR  13           HD2      TYR  13  10.944  -0.817  10.571
   83    HD2  TYR  13           HD1      TYR  13  10.150  -3.180   7.107
   84    HE1  TYR  13           HE2      TYR  13   8.867  -1.643  11.607
   85    HE2  TYR  13           HE1      TYR  13   8.074  -4.005   8.147
   86    HH   TYR  13           HH       TYR  13   6.470  -3.281   9.884
   87    H    ASN  14           H        ASN  14  14.387   0.112   7.637
   88    HA   ASN  14           HA       ASN  14  14.762   1.296   5.080
   89   1HB   ASN  14          2HB       ASN  14  16.832  -0.321   6.549
   90   2HB   ASN  14          1HB       ASN  14  17.069   1.052   5.479
   91   1HD2  ASN  14          2HD2      ASN  14  17.574   2.507   8.690
   92   2HD2  ASN  14          1HD2      ASN  14  18.370   1.560   7.496
   93    H    GLU  15           H        GLU  15  13.840  -1.793   5.986
   94    HA   GLU  15           HA       GLU  15  15.101  -3.138   3.710
   95   1HB   GLU  15          2HB       GLU  15  14.315  -3.935   6.301
   96   2HB   GLU  15          1HB       GLU  15  13.268  -4.792   5.173
   97   1HG   GLU  15          2HG       GLU  15  15.058  -5.876   4.137
   98   2HG   GLU  15          1HG       GLU  15  16.231  -4.682   4.695
   99    H    ASN  16           H        ASN  16  12.740  -1.105   3.758
  100    HA   ASN  16           HA       ASN  16  11.056  -2.655   1.901
  101   1HB   ASN  16          2HB       ASN  16  10.122  -2.219   4.338
  102   2HB   ASN  16          1HB       ASN  16   9.754  -0.632   3.663
  103   1HD2  ASN  16          2HD2      ASN  16   6.729  -2.099   2.660
  104   2HD2  ASN  16          1HD2      ASN  16   7.521  -1.039   3.770
  105    H    CYS  17           H        CYS  17  13.202  -0.398   1.947
  106    HA   CYS  17           HA       CYS  17  11.715   1.700   0.529
  107   1HB   CYS  17          2HB       CYS  17  14.052   1.628   2.189
  108   2HB   CYS  17          1HB       CYS  17  14.473   2.293   0.617
  109    H    CYS  18           H        CYS  18  12.157   2.273  -1.583
  110    HA   CYS  18           HA       CYS  18  12.899   0.241  -3.383
  111   1HB   CYS  18          2HB       CYS  18  12.649   3.229  -3.674
  112   2HB   CYS  18          1HB       CYS  18  13.036   2.176  -5.022
  113    H    SER  19           H        SER  19  14.637   2.951  -1.982
  114    HA   SER  19           HA       SER  19  17.107   2.238  -3.345
  115   1HB   SER  19          2HB       SER  19  17.872   4.334  -2.798
  116   2HB   SER  19          1HB       SER  19  16.139   4.644  -2.828
  117    HG   SER  19           HG       SER  19  16.500   5.304  -0.833
  118    H    GLN  20           H        GLN  20  15.484   1.215  -0.681
  119    HA   GLN  20           HA       GLN  20  16.057  -0.082   1.109
  120   1HB   GLN  20          2HB       GLN  20  18.662  -0.013  -0.372
  121   2HB   GLN  20          1HB       GLN  20  18.573  -0.730   1.233
  122   1HG   GLN  20          2HG       GLN  20  17.014  -1.546  -1.225
  123   2HG   GLN  20          1HG       GLN  20  18.246  -2.483  -0.381
  124   1HE2  GLN  20          2HE2      GLN  20  14.501  -3.016   0.648
  125   2HE2  GLN  20          1HE2      GLN  20  15.099  -2.451  -0.872
  126    H    SER  21           H        SER  21  16.756   3.031   0.728
  127    HA   SER  21           HA       SER  21  18.142   3.287   3.325
  128   1HB   SER  21          2HB       SER  21  18.171   4.931   0.829
  129   2HB   SER  21          1HB       SER  21  18.456   5.709   2.377
  130    HG   SER  21           HG       SER  21  19.863   3.416   1.435
  131    H    CYS  22           H        CYS  22  16.618   3.535   4.854
  132    HA   CYS  22           HA       CYS  22  14.281   5.238   4.294
  133   1HB   CYS  22          2HB       CYS  22  14.839   2.992   6.155
  134   2HB   CYS  22          1HB       CYS  22  13.712   4.229   6.695
  135    H    THR  23           H        THR  23  13.653   6.836   5.848
  136    HA   THR  23           HA       THR  23  15.681   7.690   7.785
  137    HB   THR  23           HB       THR  23  16.418   9.014   6.044
  138    HG1  THR  23           HG1      THR  23  15.660  11.092   6.494
  139   1HG2  THR  23          1HG2      THR  23  13.544   9.150   5.156
  140   2HG2  THR  23          3HG2      THR  23  14.803  10.182   4.473
  141   3HG2  THR  23          2HG2      THR  23  14.917   8.428   4.312
  142    H    PHE  24           H        PHE  24  14.758   9.793   8.905
  143    HA   PHE  24           HA       PHE  24  11.881   9.364   9.447
  144   1HB   PHE  24          2HB       PHE  24  14.147   9.256  11.204
  145   2HB   PHE  24          1HB       PHE  24  13.103  10.589  11.674
  146    HD1  PHE  24           HD1      PHE  24  10.549  10.003  11.821
  147    HD2  PHE  24           HD2      PHE  24  13.712   7.143  12.002
  148    HE1  PHE  24           HE1      PHE  24   9.048   8.414  12.960
  149    HE2  PHE  24           HE2      PHE  24  12.211   5.555  13.139
  150    HZ   PHE  24           HZ       PHE  24   9.878   6.190  13.619
  151    H    LYS  25           H        LYS  25  10.725  11.072   8.802
  152    HA   LYS  25           HA       LYS  25  11.948  13.759   8.955
  153   1HB   LYS  25          2HB       LYS  25  11.304  12.670   6.655
  154   2HB   LYS  25          1HB       LYS  25   9.669  13.135   7.121
  155   1HG   LYS  25          2HG       LYS  25  10.616  15.466   7.545
  156   2HG   LYS  25          1HG       LYS  25  12.064  14.918   6.704
  157   1HD   LYS  25          2HD       LYS  25  10.047  14.143   4.998
  158   2HD   LYS  25          1HD       LYS  25   9.444  15.672   5.635
  159   1HE   LYS  25          2HE       LYS  25  10.959  16.866   4.481
  160   2HE   LYS  25          1HE       LYS  25  12.273  15.781   4.928
  161   1HZ   LYS  25          2HZ       LYS  25  10.275  15.016   2.895
  162   2HZ   LYS  25          1HZ       LYS  25  11.639  15.943   2.485
  163   3HZ   LYS  25          3HZ       LYS  25  11.835  14.390   3.140
  164    H    GLU  26           H        GLU  26  10.638  15.457   9.698
  165    HA   GLU  26           HA       GLU  26   8.503  14.613  11.473
  166   1HB   GLU  26          2HB       GLU  26  10.470  16.313  11.927
  167   2HB   GLU  26          1HB       GLU  26   9.344  17.457  11.203
  168   1HG   GLU  26          2HG       GLU  26   7.736  17.116  12.889
  169   2HG   GLU  26          1HG       GLU  26   8.485  15.610  13.420
  170    H    ASN  27           H        ASN  27   6.394  15.214  11.310
  171    HA   ASN  27           HA       ASN  27   5.545  16.320   8.729
  172   1HB   ASN  27          2HB       ASN  27   3.344  15.528  10.389
  173   2HB   ASN  27          1HB       ASN  27   3.872  14.848   8.856
  174   1HD2  ASN  27          2HD2      ASN  27   4.110  12.532  11.956
  175   2HD2  ASN  27          1HD2      ASN  27   2.972  13.790  11.628
  176    H    GLU  28           H        GLU  28   3.121  17.347   9.297
  177    HA   GLU  28           HA       GLU  28   3.798  19.802  10.694
  178   1HB   GLU  28          2HB       GLU  28   2.766  19.972   8.489
  179   2HB   GLU  28          1HB       GLU  28   1.379  19.045   9.055
  180   1HG   GLU  28          2HG       GLU  28   0.564  20.791  10.338
  181   2HG   GLU  28          1HG       GLU  28   2.154  21.533  10.524
  182    H    ASN  29           H        ASN  29   1.910  16.940  11.089
  183    HA   ASN  29           HA       ASN  29   0.001  17.816  12.960
  184   1HB   ASN  29          2HB       ASN  29   0.241  15.547  11.704
  185   2HB   ASN  29          1HB       ASN  29   1.230  15.085  13.089
  186   1HD2  ASN  29          2HD2      ASN  29  -1.814  14.008  14.470
  187   2HD2  ASN  29          1HD2      ASN  29  -0.343  13.540  13.694
  188    H    GLY  30           H        GLY  30   3.385  17.313  13.211
  189   1HA   GLY  30          2HA       GLY  30   4.634  18.249  15.019
  190   2HA   GLY  30          1HA       GLY  30   3.270  17.905  16.078
  191    H    ASN  31           H        ASN  31   4.011  15.432  13.860
  192    HA   ASN  31           HA       ASN  31   5.356  13.876  15.983
  193   1HB   ASN  31          2HB       ASN  31   3.261  13.187  13.970
  194   2HB   ASN  31          1HB       ASN  31   4.399  11.939  14.471
  195   1HD2  ASN  31          2HD2      ASN  31   1.611  11.630  16.793
  196   2HD2  ASN  31          1HD2      ASN  31   1.973  11.324  15.131
  197    H    THR  32           H        THR  32   6.329  11.787  14.652
  198    HA   THR  32           HA       THR  32   7.837  12.779  12.339
  199    HB   THR  32           HB       THR  32   9.044  13.014  14.666
  200    HG1  THR  32           HG1      THR  32   9.947  13.355  12.554
  201   1HG2  THR  32          3HG2      THR  32   8.592  10.474  15.051
  202   2HG2  THR  32          2HG2      THR  32   9.983  10.251  13.988
  203   3HG2  THR  32          1HG2      THR  32  10.159  11.154  15.494
  204    H    VAL  33           H        VAL  33   7.793  11.337  10.764
  205    HA   VAL  33           HA       VAL  33   7.362   8.490  11.444
  206    HB   VAL  33           HB       VAL  33   6.591   9.556   8.782
  207   1HG1  VAL  33          1HG1      VAL  33   6.030   7.250  10.483
  208   2HG1  VAL  33          3HG1      VAL  33   4.589   7.933   9.727
  209   3HG1  VAL  33          2HG1      VAL  33   5.948   7.412   8.727
  210   1HG2  VAL  33          1HG2      VAL  33   5.291  10.310  11.353
  211   2HG2  VAL  33          3HG2      VAL  33   5.436  11.224   9.851
  212   3HG2  VAL  33          2HG2      VAL  33   4.250   9.924   9.981
  213    H    LYS  34           H        LYS  34   7.874   7.275   9.127
  214    HA   LYS  34           HA       LYS  34  10.638   8.087   8.471
  215   1HB   LYS  34          2HB       LYS  34   9.412   5.469   9.121
  216   2HB   LYS  34          1HB       LYS  34  10.609   5.478   7.829
  217   1HG   LYS  34          2HG       LYS  34  12.283   6.381   9.268
  218   2HG   LYS  34          1HG       LYS  34  11.098   6.742  10.522
  219   1HD   LYS  34          2HD       LYS  34  12.080   4.789  11.323
  220   2HD   LYS  34          1HD       LYS  34  10.660   4.171  10.485
  221   1HE   LYS  34          2HE       LYS  34  12.345   2.770   9.708
  222   2HE   LYS  34          1HE       LYS  34  12.255   3.988   8.438
  223   1HZ   LYS  34          2HZ       LYS  34  14.028   5.023  10.225
  224   2HZ   LYS  34          1HZ       LYS  34  14.403   3.366  10.220
  225   3HZ   LYS  34          3HZ       LYS  34  14.421   4.242   8.768
  226    H    ARG  35           H        ARG  35  11.182   8.248   6.346
  227    HA   ARG  35           HA       ARG  35   9.172   7.455   4.335
  228   1HB   ARG  35          2HB       ARG  35  10.821   9.986   4.415
  229   2HB   ARG  35          1HB       ARG  35   9.845   9.471   3.041
  230   1HG   ARG  35          2HG       ARG  35   7.853   9.874   4.130
  231   2HG   ARG  35          1HG       ARG  35   8.558   9.648   5.728
  232   1HD   ARG  35          2HD       ARG  35   9.772  11.791   5.461
  233   2HD   ARG  35          1HD       ARG  35   8.986  12.021   3.900
  234    HE   ARG  35           HE       ARG  35   7.056  12.615   5.024
  235   1HH1  ARG  35          1HH2      ARG  35   9.089  10.764   7.138
  236   2HH1  ARG  35          2HH2      ARG  35   8.263  11.247   8.582
  237   1HH2  ARG  35          2HH1      ARG  35   6.044  13.394   6.940
  238   2HH2  ARG  35          1HH1      ARG  35   6.532  12.742   8.469
  239    H    CYS  36           H        CYS  36  10.554   8.018   2.060
  240    HA   CYS  36           HA       CYS  36  12.872   6.201   2.274
  241   1HB   CYS  36          2HB       CYS  36  10.698   5.746   0.823
  242   2HB   CYS  36          1HB       CYS  36  11.557   6.746  -0.334
  243    H    ASP  37           HN       ASP  37  14.771   6.693   1.258
  244    HA   ASP  37           HA       ASP  37  15.359   9.485   0.900
  245   1HB   ASP  37          2HB       ASP  37  16.904   6.931   0.905
  246   2HB   ASP  37          1HB       ASP  37  17.636   8.357   0.168
   
  No H/Q in entry =         246
  Start of MODEL    5
    1   1H    SER   1          3H        SER   1  10.915   0.448  -7.325
    2   2H    SER   1          2H        SER   1  11.877  -0.654  -8.188
    3   3H    SER   1          1H        SER   1  11.144   0.650  -8.992
    4    HA   SER   1           HA       SER   1   9.645  -0.898  -9.562
    5   1HB   SER   1          2HB       SER   1  10.528  -2.308  -7.057
    6   2HB   SER   1          1HB       SER   1   9.099  -2.821  -7.948
    7    HG   SER   1           HG       SER   1  10.737  -3.961  -8.861
    8    HA   PRO   2           HA       PRO   2   6.185   0.874  -7.505
    9   1HB   PRO   2          2HB       PRO   2   4.182  -0.785  -8.249
   10   2HB   PRO   2          1HB       PRO   2   4.959   0.358  -9.355
   11   1HG   PRO   2          2HG       PRO   2   5.282  -2.576  -9.142
   12   2HG   PRO   2          1HG       PRO   2   5.408  -1.523 -10.560
   13   1HD   PRO   2          2HD       PRO   2   7.553  -2.588  -9.137
   14   2HD   PRO   2          1HD       PRO   2   7.635  -1.224 -10.269
   15    H    THR   3           H        THR   3   7.281  -2.231  -6.676
   16    HA   THR   3           HA       THR   3   5.306  -2.782  -4.638
   17    HB   THR   3           HB       THR   3   6.759  -4.449  -6.016
   18    HG1  THR   3           HG1      THR   3   5.540  -5.481  -4.624
   19   1HG2  THR   3          2HG2      THR   3   8.602  -3.836  -3.701
   20   2HG2  THR   3          1HG2      THR   3   8.770  -5.202  -4.806
   21   3HG2  THR   3          3HG2      THR   3   8.940  -3.552  -5.410
   22    H    CYS   4           H        CYS   4   8.717  -1.829  -4.711
   23    HA   CYS   4           HA       CYS   4   8.881  -1.437  -1.872
   24   1HB   CYS   4          2HB       CYS   4  11.095  -0.541  -2.367
   25   2HB   CYS   4          1HB       CYS   4  10.838  -2.069  -3.191
   26    H    ILE   5           H        ILE   5   9.274   0.612  -0.842
   27    HA   ILE   5           HA       ILE   5   7.509   2.686  -1.811
   28    HB   ILE   5           HB       ILE   5   9.345   2.638   0.574
   29   1HG1  ILE   5          2HG1      ILE   5   6.557   2.385   1.200
   30   2HG1  ILE   5          1HG1      ILE   5   7.011   1.140   0.038
   31   1HG2  ILE   5          1HG2      ILE   5   8.421   4.875  -0.344
   32   2HG2  ILE   5          3HG2      ILE   5   6.871   4.313   0.286
   33   3HG2  ILE   5          2HG2      ILE   5   8.241   4.528   1.378
   34   1HD1  ILE   5          3HD1      ILE   5   9.064   1.388   2.029
   35   2HD1  ILE   5          2HD1      ILE   5   7.499   1.161   2.813
   36   3HD1  ILE   5          1HD1      ILE   5   8.072  -0.014   1.627
   37    HA   PRO   6           HA       PRO   6  10.930   4.641  -3.940
   38   1HB   PRO   6          2HB       PRO   6   9.445   6.523  -5.197
   39   2HB   PRO   6          1HB       PRO   6   9.594   4.852  -5.761
   40   1HG   PRO   6          2HG       PRO   6   7.351   6.171  -4.343
   41   2HG   PRO   6          1HG       PRO   6   7.320   4.867  -5.541
   42   1HD   PRO   6          2HD       PRO   6   7.030   4.529  -2.802
   43   2HD   PRO   6          1HD       PRO   6   7.482   3.248  -3.943
   44    H    SER   7           H        SER   7  11.950   6.697  -3.899
   45    HA   SER   7           HA       SER   7  12.099   7.939  -1.432
   46   1HB   SER   7          2HB       SER   7  12.687   9.408  -3.984
   47   2HB   SER   7          1HB       SER   7  13.506   9.528  -2.431
   48    HG   SER   7           HG       SER   7  14.818   8.214  -3.575
   49    H    GLY   8           H        GLY   8  10.763   9.215  -0.355
   50   1HA   GLY   8          2HA       GLY   8   9.613  11.382  -0.313
   51   2HA   GLY   8          1HA       GLY   8   8.896  10.948  -1.864
   52    H    GLN   9           H        GLN   9   8.501   8.149  -0.945
   53    HA   GLN   9           HA       GLN   9   5.948   8.571   0.395
   54   1HB   GLN   9          2HB       GLN   9   7.214   6.356  -1.150
   55   2HB   GLN   9          1HB       GLN   9   5.922   5.963  -0.019
   56   1HG   GLN   9          2HG       GLN   9   4.390   7.432  -1.153
   57   2HG   GLN   9          1HG       GLN   9   5.681   8.077  -2.167
   58   1HE2  GLN   9          2HE2      GLN   9   4.481   4.202  -2.834
   59   2HE2  GLN   9          1HE2      GLN   9   4.529   4.844  -1.232
   60    HA   PRO  10           HA       PRO  10   7.281   7.134   4.334
   61   1HB   PRO  10          2HB       PRO  10   5.048   5.931   5.277
   62   2HB   PRO  10          1HB       PRO  10   5.216   7.686   5.115
   63   1HG   PRO  10          2HG       PRO  10   3.725   5.767   3.419
   64   2HG   PRO  10          1HG       PRO  10   3.370   7.462   3.792
   65   1HD   PRO  10          2HD       PRO  10   4.498   6.539   1.426
   66   2HD   PRO  10          1HD       PRO  10   4.551   8.214   2.010
   67    H    CYS  11           H        CYS  11   8.444   5.471   5.075
   68    HA   CYS  11           HA       CYS  11   7.835   2.746   4.106
   69   1HB   CYS  11          2HB       CYS  11  10.162   2.278   3.970
   70   2HB   CYS  11          1HB       CYS  11   9.900   3.798   3.126
   71    HA   PRO  12           HA       PRO  12   7.632   1.775   8.425
   72   1HB   PRO  12          2HB       PRO  12   7.643  -0.925   8.237
   73   2HB   PRO  12          1HB       PRO  12   6.235   0.072   7.838
   74   1HG   PRO  12          2HG       PRO  12   8.148  -1.296   6.040
   75   2HG   PRO  12          1HG       PRO  12   6.428  -0.944   5.806
   76   1HD   PRO  12          2HD       PRO  12   8.539   0.479   4.678
   77   2HD   PRO  12          1HD       PRO  12   6.865   1.050   4.819
   78    H    TYR  13           H        TYR  13  10.029   0.129   6.406
   79    HA   TYR  13           HA       TYR  13  12.032   0.463   8.519
   80   1HB   TYR  13          2HB       TYR  13  12.019  -2.152   7.110
   81   2HB   TYR  13          1HB       TYR  13  12.596  -1.747   8.720
   82    HD1  TYR  13           HD1      TYR  13  10.944  -1.442  10.572
   83    HD2  TYR  13           HD2      TYR  13   9.833  -2.953   6.739
   84    HE1  TYR  13           HE1      TYR  13   8.860  -2.344  11.529
   85    HE2  TYR  13           HE2      TYR  13   7.750  -3.854   7.700
   86    HH   TYR  13           HH       TYR  13   6.758  -4.441   9.721
   87    H    ASN  14           H        ASN  14  14.244   0.042   7.680
   88    HA   ASN  14           HA       ASN  14  14.636   1.338   5.168
   89   1HB   ASN  14          2HB       ASN  14  16.738  -0.219   6.653
   90   2HB   ASN  14          1HB       ASN  14  16.932   1.212   5.652
   91   1HD2  ASN  14          2HD2      ASN  14  17.249   2.510   8.968
   92   2HD2  ASN  14          1HD2      ASN  14  18.136   1.634   7.782
   93    H    GLU  15           H        GLU  15  13.837  -1.808   5.984
   94    HA   GLU  15           HA       GLU  15  15.248  -3.066   3.753
   95   1HB   GLU  15          2HB       GLU  15  14.374  -3.933   6.276
   96   2HB   GLU  15          1HB       GLU  15  13.359  -4.771   5.105
   97   1HG   GLU  15          2HG       GLU  15  15.392  -5.514   3.905
   98   2HG   GLU  15          1HG       GLU  15  16.385  -4.717   5.125
   99    H    ASN  16           H        ASN  16  12.672  -1.173   3.880
  100    HA   ASN  16           HA       ASN  16  11.191  -2.738   1.857
  101   1HB   ASN  16          2HB       ASN  16  10.133  -2.288   4.245
  102   2HB   ASN  16          1HB       ASN  16   9.758  -0.724   3.520
  103   1HD2  ASN  16          2HD2      ASN  16   6.820  -2.323   2.438
  104   2HD2  ASN  16          1HD2      ASN  16   7.526  -1.246   3.589
  105    H    CYS  17           H        CYS  17  13.231  -0.305   2.131
  106    HA   CYS  17           HA       CYS  17  11.776   1.701   0.590
  107   1HB   CYS  17          2HB       CYS  17  14.082   1.683   2.295
  108   2HB   CYS  17          1HB       CYS  17  14.520   2.337   0.724
  109    H    CYS  18           H        CYS  18  12.226   2.252  -1.512
  110    HA   CYS  18           HA       CYS  18  13.035   0.219  -3.283
  111   1HB   CYS  18          2HB       CYS  18  12.629   3.185  -3.590
  112   2HB   CYS  18          1HB       CYS  18  13.140   2.177  -4.932
  113    H    SER  19           H        SER  19  14.687   2.957  -1.856
  114    HA   SER  19           HA       SER  19  17.168   2.377  -3.259
  115   1HB   SER  19          2HB       SER  19  17.864   4.476  -2.648
  116   2HB   SER  19          1HB       SER  19  16.122   4.727  -2.642
  117    HG   SER  19           HG       SER  19  17.125   5.482  -0.700
  118    H    GLN  20           H        GLN  20  15.593   1.363  -0.499
  119    HA   GLN  20           HA       GLN  20  16.258  -0.051   1.185
  120   1HB   GLN  20          2HB       GLN  20  19.079   0.327   0.183
  121   2HB   GLN  20          1HB       GLN  20  18.478  -0.958   1.229
  122   1HG   GLN  20          2HG       GLN  20  17.087  -0.665  -1.364
  123   2HG   GLN  20          1HG       GLN  20  18.760  -1.216  -1.451
  124   1HE2  GLN  20          2HE2      GLN  20  16.049  -3.500   0.632
  125   2HE2  GLN  20          1HE2      GLN  20  15.892  -1.781   0.577
  126    H    SER  21           H        SER  21  16.789   3.111   0.904
  127    HA   SER  21           HA       SER  21  18.101   3.347   3.541
  128   1HB   SER  21          2HB       SER  21  18.262   4.983   1.056
  129   2HB   SER  21          1HB       SER  21  18.384   5.806   2.604
  130    HG   SER  21           HG       SER  21  19.893   3.499   2.403
  131    H    CYS  22           H        CYS  22  16.550   3.616   5.038
  132    HA   CYS  22           HA       CYS  22  14.210   5.292   4.395
  133   1HB   CYS  22          2HB       CYS  22  14.716   3.053   6.289
  134   2HB   CYS  22          1HB       CYS  22  13.551   4.278   6.763
  135    H    THR  23           H        THR  23  13.738   7.105   5.595
  136    HA   THR  23           HA       THR  23  15.672   7.882   7.690
  137    HB   THR  23           HB       THR  23  16.415   9.206   5.959
  138    HG1  THR  23           HG1      THR  23  16.053  10.869   7.197
  139   1HG2  THR  23          3HG2      THR  23  13.557   9.514   5.032
  140   2HG2  THR  23          2HG2      THR  23  14.970  10.236   4.259
  141   3HG2  THR  23          1HG2      THR  23  14.784   8.482   4.297
  142    H    PHE  24           H        PHE  24  14.748  10.000   8.790
  143    HA   PHE  24           HA       PHE  24  11.876   9.559   9.343
  144   1HB   PHE  24          2HB       PHE  24  14.145   9.465  11.093
  145   2HB   PHE  24          1HB       PHE  24  13.092  10.789  11.567
  146    HD1  PHE  24           HD1      PHE  24  10.531  10.172  11.678
  147    HD2  PHE  24           HD2      PHE  24  13.733   7.360  11.911
  148    HE1  PHE  24           HE1      PHE  24   9.041   8.566  12.808
  149    HE2  PHE  24           HE2      PHE  24  12.243   5.755  13.040
  150    HZ   PHE  24           HZ       PHE  24   9.897   6.358  13.489
  151    H    LYS  25           H        LYS  25  10.689  11.255   8.746
  152    HA   LYS  25           HA       LYS  25  11.899  13.950   8.828
  153   1HB   LYS  25          2HB       LYS  25   9.698  12.913   7.034
  154   2HB   LYS  25          1HB       LYS  25  10.329  14.558   7.040
  155   1HG   LYS  25          2HG       LYS  25  12.597  13.585   6.522
  156   2HG   LYS  25          1HG       LYS  25  11.802  12.029   6.294
  157   1HD   LYS  25          2HD       LYS  25  10.725  12.710   4.364
  158   2HD   LYS  25          1HD       LYS  25  10.765  14.413   4.818
  159   1HE   LYS  25          2HE       LYS  25  12.854  14.728   3.968
  160   2HE   LYS  25          1HE       LYS  25  13.390  13.108   4.402
  161   1HZ   LYS  25          2HZ       LYS  25  11.364  13.338   2.317
  162   2HZ   LYS  25          1HZ       LYS  25  12.943  13.822   1.921
  163   3HZ   LYS  25          3HZ       LYS  25  12.654  12.242   2.464
  164    H    GLU  26           H        GLU  26  10.507  15.688   9.465
  165    HA   GLU  26           HA       GLU  26   8.493  14.843  11.405
  166   1HB   GLU  26          2HB       GLU  26  10.417  16.347  12.053
  167   2HB   GLU  26          1HB       GLU  26   9.664  17.595  11.064
  168   1HG   GLU  26          2HG       GLU  26   8.436  18.150  12.855
  169   2HG   GLU  26          1HG       GLU  26   7.600  16.607  12.677
  170    H    ASN  27           H        ASN  27   6.395  15.486  11.331
  171    HA   ASN  27           HA       ASN  27   5.469  16.688   8.823
  172   1HB   ASN  27          2HB       ASN  27   3.364  15.874  10.630
  173   2HB   ASN  27          1HB       ASN  27   3.714  15.316   8.999
  174   1HD2  ASN  27          2HD2      ASN  27   4.175  12.733  11.849
  175   2HD2  ASN  27          1HD2      ASN  27   3.052  14.040  11.740
  176    H    GLU  28           H        GLU  28   3.108  17.770   9.514
  177    HA   GLU  28           HA       GLU  28   3.908  20.150  10.977
  178   1HB   GLU  28          2HB       GLU  28   2.755  20.274   8.751
  179   2HB   GLU  28          1HB       GLU  28   1.317  19.618   9.530
  180   1HG   GLU  28          2HG       GLU  28   2.050  21.704  11.198
  181   2HG   GLU  28          1HG       GLU  28   2.391  22.332   9.585
  182    H    ASN  29           H        ASN  29   2.101  17.282  11.406
  183    HA   ASN  29           HA       ASN  29   0.250  18.173  13.376
  184   1HB   ASN  29          2HB       ASN  29   0.323  15.966  11.972
  185   2HB   ASN  29          1HB       ASN  29   1.313  15.375  13.307
  186   1HD2  ASN  29          2HD2      ASN  29  -1.736  14.422  14.754
  187   2HD2  ASN  29          1HD2      ASN  29  -0.298  13.909  13.945
  188    H    GLY  30           H        GLY  30   3.600  17.745  13.416
  189   1HA   GLY  30          2HA       GLY  30   4.994  18.394  15.198
  190   2HA   GLY  30          1HA       GLY  30   3.663  18.089  16.310
  191    H    ASN  31           H        ASN  31   4.088  15.669  13.974
  192    HA   ASN  31           HA       ASN  31   5.396  13.923  15.962
  193   1HB   ASN  31          2HB       ASN  31   3.276  13.478  13.906
  194   2HB   ASN  31          1HB       ASN  31   4.337  12.141  14.337
  195   1HD2  ASN  31          2HD2      ASN  31   2.587  11.415  17.230
  196   2HD2  ASN  31          1HD2      ASN  31   3.620  10.916  15.938
  197    H    THR  32           H        THR  32   6.351  11.916  14.610
  198    HA   THR  32           HA       THR  32   7.831  12.907  12.282
  199    HB   THR  32           HB       THR  32   9.071  13.135  14.589
  200    HG1  THR  32           HG1      THR  32  10.165  13.618  12.765
  201   1HG2  THR  32          1HG2      THR  32   8.670  10.739  15.198
  202   2HG2  THR  32          3HG2      THR  32   9.736  10.279  13.869
  203   3HG2  THR  32          2HG2      THR  32  10.369  11.218  15.223
  204    H    VAL  33           H        VAL  33   7.763  11.474  10.704
  205    HA   VAL  33           HA       VAL  33   7.336   8.626  11.382
  206    HB   VAL  33           HB       VAL  33   6.549   9.688   8.723
  207   1HG1  VAL  33          2HG1      VAL  33   5.968   7.403  10.459
  208   2HG1  VAL  33          1HG1      VAL  33   4.545   8.081   9.665
  209   3HG1  VAL  33          3HG1      VAL  33   5.917   7.536   8.698
  210   1HG2  VAL  33          2HG2      VAL  33   5.168  10.360  11.301
  211   2HG2  VAL  33          1HG2      VAL  33   5.488  11.392   9.905
  212   3HG2  VAL  33          3HG2      VAL  33   4.235  10.152   9.817
  213    H    LYS  34           H        LYS  34   7.884   7.357   9.143
  214    HA   LYS  34           HA       LYS  34  10.622   8.216   8.435
  215   1HB   LYS  34          2HB       LYS  34   9.448   5.591   9.142
  216   2HB   LYS  34          1HB       LYS  34  10.626   5.593   7.831
  217   1HG   LYS  34          2HG       LYS  34  12.308   6.538   9.220
  218   2HG   LYS  34          1HG       LYS  34  11.142   6.929  10.482
  219   1HD   LYS  34          2HD       LYS  34  11.338   4.891  11.402
  220   2HD   LYS  34          1HD       LYS  34  11.102   4.099   9.847
  221   1HE   LYS  34          2HE       LYS  34  13.255   3.500   9.931
  222   2HE   LYS  34          1HE       LYS  34  13.662   5.197   9.693
  223   1HZ   LYS  34          3HZ       LYS  34  13.059   4.201  12.393
  224   2HZ   LYS  34          2HZ       LYS  34  14.594   3.927  11.718
  225   3HZ   LYS  34          1HZ       LYS  34  14.024   5.514  11.924
  226    H    ARG  35           H        ARG  35  11.129   8.407   6.316
  227    HA   ARG  35           HA       ARG  35   9.113   7.584   4.321
  228   1HB   ARG  35          2HB       ARG  35  10.605  10.144   4.663
  229   2HB   ARG  35          1HB       ARG  35  10.240   9.597   3.029
  230   1HG   ARG  35          2HG       ARG  35   8.027  10.019   3.249
  231   2HG   ARG  35          1HG       ARG  35   7.983   9.435   4.911
  232   1HD   ARG  35          2HD       ARG  35   9.276  11.625   5.460
  233   2HD   ARG  35          1HD       ARG  35   8.692  12.168   3.887
  234    HE   ARG  35           HE       ARG  35   6.534  11.115   5.380
  235   1HH1  ARG  35          1HH2      ARG  35   8.738  13.808   5.293
  236   2HH1  ARG  35          2HH2      ARG  35   7.622  14.917   6.017
  237   1HH2  ARG  35          2HH1      ARG  35   5.045  12.574   6.325
  238   2HH2  ARG  35          1HH1      ARG  35   5.522  14.216   6.603
  239    H    CYS  36           H        CYS  36  10.482   8.034   2.030
  240    HA   CYS  36           HA       CYS  36  12.774   6.190   2.273
  241   1HB   CYS  36          2HB       CYS  36  10.583   5.709   0.872
  242   2HB   CYS  36          1HB       CYS  36  11.414   6.680  -0.327
  243    H    ASP  37           HN       ASP  37  14.705   6.960   1.861
  244    HA   ASP  37           HA       ASP  37  15.350   9.583   1.299
  245   1HB   ASP  37          2HB       ASP  37  16.786   6.985   1.149
  246   2HB   ASP  37          1HB       ASP  37  17.538   8.372   0.361
   
  No H/Q in entry =         246
  Start of MODEL    6
    1   1H    SER   1          2H        SER   1   4.124   0.725  -2.552
    2   2H    SER   1          1H        SER   1   2.989   1.952  -2.853
    3   3H    SER   1          3H        SER   1   3.898   1.973  -1.422
    4    HA   SER   1           HA       SER   1   2.589   0.528  -0.378
    5   1HB   SER   1          2HB       SER   1   1.099   2.111  -2.164
    6   2HB   SER   1          1HB       SER   1   0.392   0.501  -2.238
    7    HG   SER   1           HG       SER   1   0.590   0.702   0.217
    8    HA   PRO   2           HA       PRO   2   1.641  -3.019  -3.460
    9   1HB   PRO   2          2HB       PRO   2   2.296  -2.698  -6.066
   10   2HB   PRO   2          1HB       PRO   2   0.731  -2.217  -5.392
   11   1HG   PRO   2          2HG       PRO   2   3.046  -0.543  -6.162
   12   2HG   PRO   2          1HG       PRO   2   1.317  -0.164  -6.189
   13   1HD   PRO   2          2HD       PRO   2   3.136   0.676  -4.250
   14   2HD   PRO   2          1HD       PRO   2   1.368   0.685  -4.088
   15    H    THR   3           H        THR   3   4.502  -1.126  -4.238
   16    HA   THR   3           HA       THR   3   6.154  -3.556  -3.949
   17    HB   THR   3           HB       THR   3   5.867  -2.647  -6.339
   18    HG1  THR   3           HG1      THR   3   7.500  -4.018  -6.189
   19   1HG2  THR   3          1HG2      THR   3   6.246  -0.244  -5.475
   20   2HG2  THR   3          3HG2      THR   3   7.960  -0.665  -5.503
   21   3HG2  THR   3          2HG2      THR   3   7.013  -0.721  -6.992
   22    H    CYS   4           H        CYS   4   8.621  -2.165  -4.215
   23    HA   CYS   4           HA       CYS   4   9.155  -1.395  -1.614
   24   1HB   CYS   4          2HB       CYS   4  11.232  -0.524  -2.435
   25   2HB   CYS   4          1HB       CYS   4  10.844  -1.977  -3.341
   26    H    ILE   5           H        ILE   5   9.380   0.591  -0.579
   27    HA   ILE   5           HA       ILE   5   7.518   2.632  -1.423
   28    HB   ILE   5           HB       ILE   5   9.394   2.405   0.922
   29   1HG1  ILE   5          2HG1      ILE   5   6.947   2.390   1.993
   30   2HG1  ILE   5          1HG1      ILE   5   6.548   1.724   0.411
   31   1HG2  ILE   5          2HG2      ILE   5   8.331   4.761  -0.101
   32   2HG2  ILE   5          1HG2      ILE   5   7.244   4.328   1.220
   33   3HG2  ILE   5          3HG2      ILE   5   8.973   4.513   1.525
   34   1HD1  ILE   5          1HD1      ILE   5   8.697   0.643   2.246
   35   2HD1  ILE   5          3HD1      ILE   5   7.077  -0.035   2.080
   36   3HD1  ILE   5          2HD1      ILE   5   8.187  -0.053   0.708
   37    HA   PRO   6           HA       PRO   6  10.848   4.627  -3.725
   38   1HB   PRO   6          2HB       PRO   6   9.265   6.495  -4.893
   39   2HB   PRO   6          1HB       PRO   6   9.434   4.838  -5.493
   40   1HG   PRO   6          2HG       PRO   6   7.254   6.040  -3.851
   41   2HG   PRO   6          1HG       PRO   6   7.146   4.880  -5.189
   42   1HD   PRO   6          2HD       PRO   6   6.953   4.139  -2.583
   43   2HD   PRO   6          1HD       PRO   6   7.619   3.077  -3.841
   44    H    SER   7           H        SER   7  11.813   6.705  -3.698
   45    HA   SER   7           HA       SER   7  12.054   7.939  -1.241
   46   1HB   SER   7          2HB       SER   7  13.618   8.193  -3.154
   47   2HB   SER   7          1HB       SER   7  12.453   9.265  -3.922
   48    HG   SER   7           HG       SER   7  14.212  10.230  -2.549
   49    H    GLY   8           H        GLY   8  10.897   9.346  -0.096
   50   1HA   GLY   8          2HA       GLY   8   9.613  11.354   0.132
   51   2HA   GLY   8          1HA       GLY   8   8.901  11.040  -1.450
   52    H    GLN   9           H        GLN   9   8.573   8.154  -0.677
   53    HA   GLN   9           HA       GLN   9   5.975   8.448   0.611
   54   1HB   GLN   9          2HB       GLN   9   7.141   6.671  -1.308
   55   2HB   GLN   9          1HB       GLN   9   6.532   5.734   0.054
   56   1HG   GLN   9          2HG       GLN   9   4.549   5.875  -1.024
   57   2HG   GLN   9          1HG       GLN   9   4.487   7.500  -0.337
   58   1HE2  GLN   9          2HE2      GLN   9   4.815   6.955  -4.312
   59   2HE2  GLN   9          1HE2      GLN   9   4.633   5.659  -3.184
   60    HA   PRO  10           HA       PRO  10   7.266   6.918   4.531
   61   1HB   PRO  10          2HB       PRO  10   5.029   5.666   5.397
   62   2HB   PRO  10          1HB       PRO  10   5.185   7.427   5.296
   63   1HG   PRO  10          2HG       PRO  10   3.747   5.554   3.504
   64   2HG   PRO  10          1HG       PRO  10   3.357   7.226   3.942
   65   1HD   PRO  10          2HD       PRO  10   4.528   6.433   1.557
   66   2HD   PRO  10          1HD       PRO  10   4.573   8.077   2.224
   67    H    CYS  11           H        CYS  11   8.564   5.289   5.038
   68    HA   CYS  11           HA       CYS  11   7.945   2.572   4.051
   69   1HB   CYS  11          2HB       CYS  11  10.309   2.153   3.940
   70   2HB   CYS  11          1HB       CYS  11   9.959   3.626   3.045
   71    HA   PRO  12           HA       PRO  12   7.861   1.430   8.330
   72   1HB   PRO  12          2HB       PRO  12   7.920  -1.259   8.039
   73   2HB   PRO  12          1HB       PRO  12   6.488  -0.274   7.700
   74   1HG   PRO  12          2HG       PRO  12   8.375  -1.559   5.825
   75   2HG   PRO  12          1HG       PRO  12   6.656  -1.185   5.623
   76   1HD   PRO  12          2HD       PRO  12   8.796   0.272   4.556
   77   2HD   PRO  12          1HD       PRO  12   7.111   0.815   4.669
   78    H    TYR  13           H        TYR  13  10.222  -0.240   6.258
   79    HA   TYR  13           HA       TYR  13  12.235   0.041   8.393
   80   1HB   TYR  13          2HB       TYR  13  12.293  -2.423   6.734
   81   2HB   TYR  13          1HB       TYR  13  12.846  -2.165   8.382
   82    HD1  TYR  13           HD1      TYR  13  11.188  -2.104  10.239
   83    HD2  TYR  13           HD2      TYR  13  10.115  -3.199   6.257
   84    HE1  TYR  13           HE1      TYR  13   9.112  -3.135  11.079
   85    HE2  TYR  13           HE2      TYR  13   8.041  -4.229   7.099
   86    HH   TYR  13           HH       TYR  13   7.515  -5.067  10.165
   87    H    ASN  14           H        ASN  14  14.439  -0.082   7.592
   88    HA   ASN  14           HA       ASN  14  14.828   1.397   5.201
   89   1HB   ASN  14          2HB       ASN  14  16.957  -0.206   6.601
   90   2HB   ASN  14          1HB       ASN  14  17.128   1.295   5.703
   91   1HD2  ASN  14          2HD2      ASN  14  17.352   2.405   9.080
   92   2HD2  ASN  14          1HD2      ASN  14  18.284   1.665   7.837
   93    H    GLU  15           H        GLU  15  14.179  -1.853   5.734
   94    HA   GLU  15           HA       GLU  15  15.674  -2.857   3.435
   95   1HB   GLU  15          2HB       GLU  15  14.846  -3.962   5.851
   96   2HB   GLU  15          1HB       GLU  15  13.787  -4.699   4.651
   97   1HG   GLU  15          2HG       GLU  15  16.296  -4.774   3.457
   98   2HG   GLU  15          1HG       GLU  15  16.622  -5.147   5.150
   99    H    ASN  16           H        ASN  16  12.519  -1.725   4.235
  100    HA   ASN  16           HA       ASN  16  11.320  -2.995   1.882
  101   1HB   ASN  16          2HB       ASN  16  10.265  -2.735   4.294
  102   2HB   ASN  16          1HB       ASN  16   9.789  -1.159   3.660
  103   1HD2  ASN  16          2HD2      ASN  16   6.937  -2.838   2.490
  104   2HD2  ASN  16          1HD2      ASN  16   7.594  -1.765   3.673
  105    H    CYS  17           H        CYS  17  13.259  -0.543   2.095
  106    HA   CYS  17           HA       CYS  17  11.621   1.456   0.709
  107   1HB   CYS  17          2HB       CYS  17  13.947   1.544   2.380
  108   2HB   CYS  17          1HB       CYS  17  14.322   2.269   0.825
  109    H    CYS  18           H        CYS  18  12.082   2.191  -1.375
  110    HA   CYS  18           HA       CYS  18  12.892   0.267  -3.251
  111   1HB   CYS  18          2HB       CYS  18  12.574   3.257  -3.414
  112   2HB   CYS  18          1HB       CYS  18  12.990   2.271  -4.803
  113    H    SER  19           H        SER  19  14.570   2.924  -1.701
  114    HA   SER  19           HA       SER  19  17.050   2.336  -3.105
  115   1HB   SER  19          2HB       SER  19  17.784   4.414  -2.448
  116   2HB   SER  19          1HB       SER  19  16.048   4.694  -2.504
  117    HG   SER  19           HG       SER  19  15.970   4.475  -0.276
  118    H    GLN  20           H        GLN  20  15.442   1.326  -0.355
  119    HA   GLN  20           HA       GLN  20  16.084  -0.106   1.324
  120   1HB   GLN  20          2HB       GLN  20  18.168  -0.335  -0.539
  121   2HB   GLN  20          1HB       GLN  20  18.937  -0.081   1.024
  122   1HG   GLN  20          2HG       GLN  20  18.570  -2.477   0.569
  123   2HG   GLN  20          1HG       GLN  20  17.661  -1.934   1.979
  124   1HE2  GLN  20          2HE2      GLN  20  15.764  -3.325  -1.317
  125   2HE2  GLN  20          1HE2      GLN  20  17.482  -3.169  -1.225
  126    H    SER  21           H        SER  21  16.712   3.042   1.054
  127    HA   SER  21           HA       SER  21  18.057   3.227   3.679
  128   1HB   SER  21          2HB       SER  21  18.217   4.880   1.203
  129   2HB   SER  21          1HB       SER  21  18.384   5.685   2.755
  130    HG   SER  21           HG       SER  21  20.337   4.666   1.597
  131    H    CYS  22           H        CYS  22  16.490   3.470   5.177
  132    HA   CYS  22           HA       CYS  22  14.181   5.196   4.578
  133   1HB   CYS  22          2HB       CYS  22  14.699   2.976   6.497
  134   2HB   CYS  22          1HB       CYS  22  13.504   4.188   6.917
  135    H    THR  23           H        THR  23  13.831   7.069   5.653
  136    HA   THR  23           HA       THR  23  15.703   7.799   7.821
  137    HB   THR  23           HB       THR  23  16.486   9.003   5.956
  138    HG1  THR  23           HG1      THR  23  16.451  10.632   7.285
  139   1HG2  THR  23          1HG2      THR  23  13.589   9.557   5.325
  140   2HG2  THR  23          3HG2      THR  23  14.936  10.372   4.528
  141   3HG2  THR  23          2HG2      THR  23  14.742   8.624   4.367
  142    H    PHE  24           H        PHE  24  14.816   9.920   8.904
  143    HA   PHE  24           HA       PHE  24  11.929   9.525   9.404
  144   1HB   PHE  24          2HB       PHE  24  14.175   9.576  11.174
  145   2HB   PHE  24          1HB       PHE  24  13.133  10.944  11.534
  146    HD1  PHE  24           HD1      PHE  24  10.560  10.354  11.665
  147    HD2  PHE  24           HD2      PHE  24  13.740   7.553  12.175
  148    HE1  PHE  24           HE1      PHE  24   9.046   8.862  12.912
  149    HE2  PHE  24           HE2      PHE  24  12.225   6.061  13.422
  150    HZ   PHE  24           HZ       PHE  24   9.878   6.716  13.789
  151    H    LYS  25           H        LYS  25  10.730  11.139   8.630
  152    HA   LYS  25           HA       LYS  25  11.899  13.850   8.495
  153   1HB   LYS  25          2HB       LYS  25  11.004  12.464   6.395
  154   2HB   LYS  25          1HB       LYS  25   9.473  13.155   6.926
  155   1HG   LYS  25          2HG       LYS  25  10.452  15.405   6.833
  156   2HG   LYS  25          1HG       LYS  25  11.991  14.719   6.321
  157   1HD   LYS  25          2HD       LYS  25  10.239  13.641   4.501
  158   2HD   LYS  25          1HD       LYS  25   9.557  15.243   4.771
  159   1HE   LYS  25          2HE       LYS  25  12.494  15.097   4.379
  160   2HE   LYS  25          1HE       LYS  25  11.493  14.760   2.970
  161   1HZ   LYS  25          3HZ       LYS  25  10.430  17.001   4.221
  162   2HZ   LYS  25          2HZ       LYS  25  12.110  17.240   4.143
  163   3HZ   LYS  25          1HZ       LYS  25  11.226  16.925   2.727
  164    H    GLU  26           H        GLU  26  10.568  15.617   9.084
  165    HA   GLU  26           HA       GLU  26   8.611  14.943  11.128
  166   1HB   GLU  26          2HB       GLU  26  10.587  16.660  11.302
  167   2HB   GLU  26          1HB       GLU  26   9.440  17.741  10.512
  168   1HG   GLU  26          2HG       GLU  26   8.684  18.164  12.595
  169   2HG   GLU  26          1HG       GLU  26   7.902  16.587  12.480
  170    H    ASN  27           H        ASN  27   6.500  15.541  11.089
  171    HA   ASN  27           HA       ASN  27   5.428  16.442   8.511
  172   1HB   ASN  27          2HB       ASN  27   3.391  15.708  10.392
  173   2HB   ASN  27          1HB       ASN  27   3.807  14.948   8.861
  174   1HD2  ASN  27          2HD2      ASN  27   4.396  12.876  12.109
  175   2HD2  ASN  27          1HD2      ASN  27   3.230  14.120  11.836
  176    H    GLU  28           H        GLU  28   3.129  17.568   9.046
  177    HA   GLU  28           HA       GLU  28   3.845  20.025  10.422
  178   1HB   GLU  28          2HB       GLU  28   2.719  19.826   8.090
  179   2HB   GLU  28          1HB       GLU  28   1.244  19.553   9.014
  180   1HG   GLU  28          2HG       GLU  28   2.959  21.876   9.763
  181   2HG   GLU  28          1HG       GLU  28   1.994  21.996   8.291
  182    H    ASN  29           H        ASN  29   2.080  17.165  10.954
  183    HA   ASN  29           HA       ASN  29   0.076  18.140  12.723
  184   1HB   ASN  29          2HB       ASN  29   0.348  15.825  11.505
  185   2HB   ASN  29          1HB       ASN  29   1.219  15.390  12.975
  186   1HD2  ASN  29          2HD2      ASN  29  -1.886  14.491  14.303
  187   2HD2  ASN  29          1HD2      ASN  29  -0.332  13.981  13.748
  188    H    GLY  30           H        GLY  30   3.435  17.766  13.021
  189   1HA   GLY  30          2HA       GLY  30   4.664  18.654  14.842
  190   2HA   GLY  30          1HA       GLY  30   3.280  18.334  15.884
  191    H    ASN  31           H        ASN  31   4.134  15.862  13.677
  192    HA   ASN  31           HA       ASN  31   5.473  14.337  15.827
  193   1HB   ASN  31          2HB       ASN  31   3.230  13.638  14.007
  194   2HB   ASN  31          1HB       ASN  31   4.412  12.380  14.354
  195   1HD2  ASN  31          2HD2      ASN  31   1.550  12.970  16.957
  196   2HD2  ASN  31          1HD2      ASN  31   1.520  13.313  15.265
  197    H    THR  32           H        THR  32   6.389  12.208  14.538
  198    HA   THR  32           HA       THR  32   7.741  13.094  12.094
  199    HB   THR  32           HB       THR  32   9.109  13.519  14.263
  200    HG1  THR  32           HG1      THR  32  10.243  13.785  12.468
  201   1HG2  THR  32          1HG2      THR  32   8.730  11.267  15.218
  202   2HG2  THR  32          3HG2      THR  32   9.631  10.571  13.871
  203   3HG2  THR  32          2HG2      THR  32  10.443  11.640  15.015
  204    H    VAL  33           H        VAL  33   7.800  11.541  10.606
  205    HA   VAL  33           HA       VAL  33   7.337   8.751  11.471
  206    HB   VAL  33           HB       VAL  33   6.594   9.627   8.732
  207   1HG1  VAL  33          1HG1      VAL  33   6.024   7.448  10.582
  208   2HG1  VAL  33          3HG1      VAL  33   4.574   8.090   9.807
  209   3HG1  VAL  33          2HG1      VAL  33   5.913   7.499   8.821
  210   1HG2  VAL  33          1HG2      VAL  33   5.234  10.538  11.233
  211   2HG2  VAL  33          3HG2      VAL  33   5.471  11.391   9.706
  212   3HG2  VAL  33          2HG2      VAL  33   4.250  10.123   9.828
  213    H    LYS  34           H        LYS  34   7.925   7.315   9.358
  214    HA   LYS  34           HA       LYS  34  10.672   8.128   8.633
  215   1HB   LYS  34          2HB       LYS  34   9.481   5.552   9.487
  216   2HB   LYS  34          1HB       LYS  34  10.702   5.475   8.219
  217   1HG   LYS  34          2HG       LYS  34  12.345   6.471   9.593
  218   2HG   LYS  34          1HG       LYS  34  11.147   7.032  10.756
  219   1HD   LYS  34          2HD       LYS  34  12.294   5.138  11.707
  220   2HD   LYS  34          1HD       LYS  34  10.650   4.646  11.308
  221   1HE   LYS  34          2HE       LYS  34  12.092   2.891  10.580
  222   2HE   LYS  34          1HE       LYS  34  11.560   3.744   9.134
  223   1HZ   LYS  34          1HZ       LYS  34  13.683   5.053   9.343
  224   2HZ   LYS  34          3HZ       LYS  34  14.185   3.908  10.488
  225   3HZ   LYS  34          2HZ       LYS  34  13.853   3.424   8.894
  226    H    ARG  35           H        ARG  35  10.936   8.618   6.570
  227    HA   ARG  35           HA       ARG  35   9.076   7.508   4.563
  228   1HB   ARG  35          2HB       ARG  35  10.504  10.124   4.820
  229   2HB   ARG  35          1HB       ARG  35  10.097   9.521   3.216
  230   1HG   ARG  35          2HG       ARG  35   7.881   9.890   3.499
  231   2HG   ARG  35          1HG       ARG  35   7.911   9.378   5.185
  232   1HD   ARG  35          2HD       ARG  35   9.350  11.716   5.269
  233   2HD   ARG  35          1HD       ARG  35   8.142  12.067   4.036
  234    HE   ARG  35           HE       ARG  35   6.939  10.859   6.314
  235   1HH1  ARG  35          1HH2      ARG  35   8.272  13.824   5.073
  236   2HH1  ARG  35          2HH2      ARG  35   7.346  14.839   6.128
  237   1HH2  ARG  35          2HH1      ARG  35   5.730  12.186   7.733
  238   2HH2  ARG  35          1HH1      ARG  35   5.901  13.907   7.641
  239    H    CYS  36           H        CYS  36  10.458   7.970   2.276
  240    HA   CYS  36           HA       CYS  36  12.781   6.178   2.566
  241   1HB   CYS  36          2HB       CYS  36  10.640   5.702   1.086
  242   2HB   CYS  36          1HB       CYS  36  11.500   6.706  -0.065
  243    H    ASP  37           HN       ASP  37  14.722   6.706   1.697
  244    HA   ASP  37           HA       ASP  37  15.353   9.460   1.374
  245   1HB   ASP  37          2HB       ASP  37  16.823   6.877   1.256
  246   2HB   ASP  37          1HB       ASP  37  17.577   8.279   0.499
   
  No H/Q in entry =         246
  Start of MODEL    7
    1   1H    SER   1          3H        SER   1   1.094  -5.480  -4.793
    2   2H    SER   1          2H        SER   1  -0.576  -5.423  -4.483
    3   3H    SER   1          1H        SER   1   0.026  -6.409  -5.728
    4    HA   SER   1           HA       SER   1   0.142  -4.759  -7.189
    5   1HB   SER   1          2HB       SER   1  -1.969  -4.042  -6.933
    6   2HB   SER   1          1HB       SER   1  -1.858  -4.098  -5.178
    7    HG   SER   1           HG       SER   1  -1.423  -2.012  -5.165
    8    HA   PRO   2           HA       PRO   2   2.203  -1.062  -4.936
    9   1HB   PRO   2          2HB       PRO   2   2.540  -1.194  -2.255
   10   2HB   PRO   2          1HB       PRO   2   1.086  -0.535  -3.022
   11   1HG   PRO   2          2HG       PRO   2   1.492  -3.139  -1.681
   12   2HG   PRO   2          1HG       PRO   2   0.029  -2.149  -1.810
   13   1HD   PRO   2          2HD       PRO   2   0.596  -4.425  -3.321
   14   2HD   PRO   2          1HD       PRO   2  -0.639  -3.208  -3.695
   15    H    THR   3           H        THR   3   4.343  -0.970  -5.217
   16    HA   THR   3           HA       THR   3   5.978  -3.302  -4.521
   17    HB   THR   3           HB       THR   3   5.927  -2.162  -6.830
   18    HG1  THR   3           HG1      THR   3   7.556  -3.493  -6.817
   19   1HG2  THR   3          2HG2      THR   3   6.424   0.110  -5.481
   20   2HG2  THR   3          1HG2      THR   3   8.077  -0.378  -5.860
   21   3HG2  THR   3          3HG2      THR   3   6.908  -0.143  -7.160
   22    H    CYS   4           H        CYS   4   8.460  -1.847  -4.472
   23    HA   CYS   4           HA       CYS   4   8.730  -1.345  -1.737
   24   1HB   CYS   4          2HB       CYS   4  10.907  -0.366  -2.342
   25   2HB   CYS   4          1HB       CYS   4  10.625  -1.911  -3.126
   26    H    ILE   5           H        ILE   5   9.264   0.666  -0.662
   27    HA   ILE   5           HA       ILE   5   7.422   2.782  -1.364
   28    HB   ILE   5           HB       ILE   5   9.450   2.508   0.849
   29   1HG1  ILE   5          2HG1      ILE   5   6.842   2.538   1.861
   30   2HG1  ILE   5          1HG1      ILE   5   6.773   1.493   0.444
   31   1HG2  ILE   5          1HG2      ILE   5   8.622   4.882   0.037
   32   2HG2  ILE   5          3HG2      ILE   5   7.190   4.446   0.972
   33   3HG2  ILE   5          2HG2      ILE   5   8.770   4.502   1.754
   34   1HD1  ILE   5          3HD1      ILE   5   9.110   1.066   2.192
   35   2HD1  ILE   5          2HD1      ILE   5   7.552   0.664   2.915
   36   3HD1  ILE   5          1HD1      ILE   5   8.052  -0.110   1.410
   37    HA   PRO   6           HA       PRO   6  10.666   4.728  -3.805
   38   1HB   PRO   6          2HB       PRO   6   9.081   6.629  -4.900
   39   2HB   PRO   6          1HB       PRO   6   9.177   4.966  -5.501
   40   1HG   PRO   6          2HG       PRO   6   7.092   6.244  -3.805
   41   2HG   PRO   6          1HG       PRO   6   6.916   5.034  -5.089
   42   1HD   PRO   6          2HD       PRO   6   6.839   4.439  -2.415
   43   2HD   PRO   6          1HD       PRO   6   7.326   3.284  -3.672
   44    H    SER   7           H        SER   7  11.712   6.733  -3.803
   45    HA   SER   7           HA       SER   7  12.070   7.995  -1.373
   46   1HB   SER   7          2HB       SER   7  13.394   8.116  -3.646
   47   2HB   SER   7          1HB       SER   7  12.436   9.574  -3.880
   48    HG   SER   7           HG       SER   7  13.233   9.952  -1.536
   49    H    GLY   8           H        GLY   8  10.749   9.191  -0.188
   50   1HA   GLY   8          2HA       GLY   8   9.577  11.288   0.097
   51   2HA   GLY   8          1HA       GLY   8   8.938  11.098  -1.534
   52    H    GLN   9           H        GLN   9   8.865   8.107  -0.143
   53    HA   GLN   9           HA       GLN   9   6.069   8.465   0.751
   54   1HB   GLN   9          2HB       GLN   9   7.415   6.423  -0.922
   55   2HB   GLN   9          1HB       GLN   9   6.199   5.837   0.210
   56   1HG   GLN   9          2HG       GLN   9   4.722   7.746  -0.754
   57   2HG   GLN   9          1HG       GLN   9   5.873   7.742  -2.090
   58   1HE2  GLN   9          2HE2      GLN   9   3.638   4.357  -1.418
   59   2HE2  GLN   9          1HE2      GLN   9   4.122   5.366  -0.102
   60    HA   PRO  10           HA       PRO  10   7.201   6.812   4.671
   61   1HB   PRO  10          2HB       PRO  10   4.953   5.502   5.416
   62   2HB   PRO  10          1HB       PRO  10   5.083   7.267   5.368
   63   1HG   PRO  10          2HG       PRO  10   3.738   5.421   3.481
   64   2HG   PRO  10          1HG       PRO  10   3.317   7.081   3.936
   65   1HD   PRO  10          2HD       PRO  10   4.594   6.334   1.584
   66   2HD   PRO  10          1HD       PRO  10   4.574   7.970   2.270
   67    H    CYS  11           H        CYS  11   8.454   5.165   5.266
   68    HA   CYS  11           HA       CYS  11   7.873   2.456   4.239
   69   1HB   CYS  11          2HB       CYS  11  10.240   2.057   4.012
   70   2HB   CYS  11          1HB       CYS  11   9.811   3.496   3.095
   71    HA   PRO  12           HA       PRO  12   8.052   1.349   8.524
   72   1HB   PRO  12          2HB       PRO  12   8.195  -1.341   8.256
   73   2HB   PRO  12          1HB       PRO  12   6.712  -0.413   7.981
   74   1HG   PRO  12          2HG       PRO  12   8.559  -1.637   6.022
   75   2HG   PRO  12          1HG       PRO  12   6.815  -1.356   5.909
   76   1HD   PRO  12          2HD       PRO  12   8.798   0.192   4.701
   77   2HD   PRO  12          1HD       PRO  12   7.105   0.669   4.937
   78    H    TYR  13           H        TYR  13  10.295  -0.444   6.411
   79    HA   TYR  13           HA       TYR  13  12.431  -0.016   8.409
   80   1HB   TYR  13          2HB       TYR  13  12.498  -2.458   6.719
   81   2HB   TYR  13          1HB       TYR  13  13.118  -2.198   8.342
   82    HD1  TYR  13           HD2      TYR  13  11.576  -2.272  10.280
   83    HD2  TYR  13           HD1      TYR  13  10.306  -3.268   6.331
   84    HE1  TYR  13           HE2      TYR  13   9.585  -3.398  11.201
   85    HE2  TYR  13           HE1      TYR  13   8.318  -4.392   7.253
   86    HH   TYR  13           HH       TYR  13   7.507  -4.207  10.648
   87    H    ASN  14           H        ASN  14  14.611  -0.152   7.460
   88    HA   ASN  14           HA       ASN  14  14.804   1.383   5.063
   89   1HB   ASN  14          2HB       ASN  14  17.073  -0.100   6.363
   90   2HB   ASN  14          1HB       ASN  14  17.119   1.414   5.470
   91   1HD2  ASN  14          2HD2      ASN  14  17.422   2.487   8.863
   92   2HD2  ASN  14          1HD2      ASN  14  18.345   1.784   7.593
   93    H    GLU  15           H        GLU  15  14.187  -1.841   5.539
   94    HA   GLU  15           HA       GLU  15  15.680  -2.783   3.200
   95   1HB   GLU  15          2HB       GLU  15  15.096  -3.954   5.620
   96   2HB   GLU  15          1HB       GLU  15  13.895  -4.671   4.549
   97   1HG   GLU  15          2HG       GLU  15  15.635  -5.423   3.031
   98   2HG   GLU  15          1HG       GLU  15  16.867  -4.594   3.983
   99    H    ASN  16           H        ASN  16  12.632  -1.549   4.003
  100    HA   ASN  16           HA       ASN  16  11.310  -2.926   1.759
  101   1HB   ASN  16          2HB       ASN  16  10.352  -2.630   4.211
  102   2HB   ASN  16          1HB       ASN  16   9.845  -1.068   3.568
  103   1HD2  ASN  16          2HD2      ASN  16   6.957  -2.758   2.520
  104   2HD2  ASN  16          1HD2      ASN  16   7.655  -1.647   3.644
  105    H    CYS  17           H        CYS  17  13.259  -0.491   1.869
  106    HA   CYS  17           HA       CYS  17  11.581   1.489   0.495
  107   1HB   CYS  17          2HB       CYS  17  13.917   1.616   2.159
  108   2HB   CYS  17          1HB       CYS  17  14.250   2.369   0.607
  109    H    CYS  18           H        CYS  18  11.991   2.173  -1.600
  110    HA   CYS  18           HA       CYS  18  12.867   0.263  -3.453
  111   1HB   CYS  18          2HB       CYS  18  12.495   3.247  -3.666
  112   2HB   CYS  18          1HB       CYS  18  12.889   2.227  -5.038
  113    H    SER  19           H        SER  19  14.465   3.022  -1.980
  114    HA   SER  19           HA       SER  19  16.956   2.492  -3.375
  115   1HB   SER  19          2HB       SER  19  17.640   4.582  -2.696
  116   2HB   SER  19          1HB       SER  19  15.895   4.815  -2.740
  117    HG   SER  19           HG       SER  19  16.240   5.422  -0.718
  118    H    GLN  20           H        GLN  20  15.390   1.452  -0.601
  119    HA   GLN  20           HA       GLN  20  16.080   0.001   1.049
  120   1HB   GLN  20          2HB       GLN  20  18.161  -0.155  -0.819
  121   2HB   GLN  20          1HB       GLN  20  18.931   0.131   0.739
  122   1HG   GLN  20          2HG       GLN  20  18.597  -2.293   0.193
  123   2HG   GLN  20          1HG       GLN  20  17.848  -1.786   1.707
  124   1HE2  GLN  20          2HE2      GLN  20  15.597  -3.098  -1.405
  125   2HE2  GLN  20          1HE2      GLN  20  17.308  -2.888  -1.525
  126    H    SER  21           H        SER  21  16.592   3.167   0.806
  127    HA   SER  21           HA       SER  21  17.963   3.381   3.414
  128   1HB   SER  21          2HB       SER  21  18.010   5.058   0.956
  129   2HB   SER  21          1HB       SER  21  18.134   5.871   2.510
  130    HG   SER  21           HG       SER  21  20.053   4.629   1.192
  131    H    CYS  22           H        CYS  22  16.541   3.678   5.002
  132    HA   CYS  22           HA       CYS  22  14.119   5.283   4.484
  133   1HB   CYS  22          2HB       CYS  22  14.724   2.990   6.295
  134   2HB   CYS  22          1HB       CYS  22  13.504   4.153   6.781
  135    H    THR  23           H        THR  23  13.657   7.022   5.787
  136    HA   THR  23           HA       THR  23  15.597   7.706   7.903
  137    HB   THR  23           HB       THR  23  16.394   9.082   6.236
  138    HG1  THR  23           HG1      THR  23  16.037  10.765   7.432
  139   1HG2  THR  23          3HG2      THR  23  14.700   8.396   4.563
  140   2HG2  THR  23          2HG2      THR  23  13.577   9.564   5.261
  141   3HG2  THR  23          1HG2      THR  23  15.068  10.120   4.498
  142    H    PHE  24           H        PHE  24  14.696   9.789   9.068
  143    HA   PHE  24           HA       PHE  24  11.802   9.396   9.535
  144   1HB   PHE  24          2HB       PHE  24  13.982   9.113  11.337
  145   2HB   PHE  24          1HB       PHE  24  13.076  10.543  11.811
  146    HD1  PHE  24           HD2      PHE  24  10.396  10.118  11.646
  147    HD2  PHE  24           HD1      PHE  24  13.386   7.156  12.362
  148    HE1  PHE  24           HE2      PHE  24   8.713   8.680  12.730
  149    HE2  PHE  24           HE1      PHE  24  11.704   5.721  13.450
  150    HZ   PHE  24           HZ       PHE  24   9.367   6.483  13.634
  151    H    LYS  25           H        LYS  25  10.771  11.111   8.726
  152    HA   LYS  25           HA       LYS  25  12.012  13.780   9.005
  153   1HB   LYS  25          2HB       LYS  25  11.604  13.007   6.680
  154   2HB   LYS  25          1HB       LYS  25   9.886  12.892   7.051
  155   1HG   LYS  25          2HG       LYS  25   9.837  15.296   7.562
  156   2HG   LYS  25          1HG       LYS  25  11.556  15.411   7.196
  157   1HD   LYS  25          2HD       LYS  25  10.132  14.144   5.023
  158   2HD   LYS  25          1HD       LYS  25   9.415  15.707   5.407
  159   1HE   LYS  25          2HE       LYS  25  12.381  15.574   5.256
  160   2HE   LYS  25          1HE       LYS  25  11.494  15.446   3.740
  161   1HZ   LYS  25          3HZ       LYS  25  10.590  17.552   5.497
  162   2HZ   LYS  25          2HZ       LYS  25  12.174  17.752   4.917
  163   3HZ   LYS  25          1HZ       LYS  25  10.883  17.579   3.827
  164    H    GLU  26           H        GLU  26  10.562  15.559   9.495
  165    HA   GLU  26           HA       GLU  26   8.448  14.726  11.326
  166   1HB   GLU  26          2HB       GLU  26  10.421  16.400  11.817
  167   2HB   GLU  26          1HB       GLU  26   9.330  17.557  11.059
  168   1HG   GLU  26          2HG       GLU  26   7.676  17.254  12.704
  169   2HG   GLU  26          1HG       GLU  26   8.382  15.735  13.258
  170    H    ASN  27           H        ASN  27   6.352  15.340  11.127
  171    HA   ASN  27           HA       ASN  27   5.524  16.398   8.530
  172   1HB   ASN  27          2HB       ASN  27   3.350  15.746  10.322
  173   2HB   ASN  27          1HB       ASN  27   3.741  15.064   8.749
  174   1HD2  ASN  27          2HD2      ASN  27   4.077  12.705  11.810
  175   2HD2  ASN  27          1HD2      ASN  27   2.986  14.023  11.574
  176    H    GLU  28           H        GLU  28   3.190  17.583   9.013
  177    HA   GLU  28           HA       GLU  28   3.966  20.035  10.364
  178   1HB   GLU  28          2HB       GLU  28   2.910  19.920   8.037
  179   2HB   GLU  28          1HB       GLU  28   1.403  19.550   8.871
  180   1HG   GLU  28          2HG       GLU  28   1.462  21.921   8.482
  181   2HG   GLU  28          1HG       GLU  28   1.721  21.656  10.207
  182    H    ASN  29           H        ASN  29   2.108  17.234  10.913
  183    HA   ASN  29           HA       ASN  29   0.127  18.304  12.659
  184   1HB   ASN  29          2HB       ASN  29   0.281  15.982  11.448
  185   2HB   ASN  29          1HB       ASN  29   1.148  15.502  12.907
  186   1HD2  ASN  29          2HD2      ASN  29  -2.024  14.708  14.175
  187   2HD2  ASN  29          1HD2      ASN  29  -0.531  14.114  13.540
  188    H    GLY  30           H        GLY  30   3.463  17.788  12.979
  189   1HA   GLY  30          2HA       GLY  30   4.715  18.623  14.808
  190   2HA   GLY  30          1HA       GLY  30   3.313  18.363  15.841
  191    H    ASN  31           H        ASN  31   3.985  15.828  13.671
  192    HA   ASN  31           HA       ASN  31   5.241  14.248  15.836
  193   1HB   ASN  31          2HB       ASN  31   3.041  13.657  13.929
  194   2HB   ASN  31          1HB       ASN  31   4.163  12.347  14.289
  195   1HD2  ASN  31          2HD2      ASN  31   1.696  11.876  16.853
  196   2HD2  ASN  31          1HD2      ASN  31   2.016  11.535  15.189
  197    H    THR  32           H        THR  32   6.111  12.084  14.543
  198    HA   THR  32           HA       THR  32   7.613  12.961  12.184
  199    HB   THR  32           HB       THR  32   8.871  13.236  14.475
  200    HG1  THR  32           HG1      THR  32  10.133  13.641  12.820
  201   1HG2  THR  32          2HG2      THR  32   8.450  10.909  15.217
  202   2HG2  THR  32          1HG2      THR  32   9.400  10.327  13.847
  203   3HG2  THR  32          3HG2      THR  32  10.171  11.289  15.109
  204    H    VAL  33           H        VAL  33   7.809  11.417  10.681
  205    HA   VAL  33           HA       VAL  33   7.228   8.625  11.440
  206    HB   VAL  33           HB       VAL  33   6.445   9.600   8.747
  207   1HG1  VAL  33          3HG1      VAL  33   5.918   7.352  10.510
  208   2HG1  VAL  33          2HG1      VAL  33   4.438   8.036   9.833
  209   3HG1  VAL  33          1HG1      VAL  33   5.727   7.486   8.761
  210   1HG2  VAL  33          2HG2      VAL  33   5.184  10.485  11.293
  211   2HG2  VAL  33          1HG2      VAL  33   5.303  11.318   9.742
  212   3HG2  VAL  33          3HG2      VAL  33   4.115  10.032   9.964
  213    H    LYS  34           H        LYS  34   7.811   7.223   9.346
  214    HA   LYS  34           HA       LYS  34  10.552   8.040   8.610
  215   1HB   LYS  34          2HB       LYS  34   9.312   5.456   9.336
  216   2HB   LYS  34          1HB       LYS  34  10.500   5.408   8.036
  217   1HG   LYS  34          2HG       LYS  34  12.193   6.340   9.427
  218   2HG   LYS  34          1HG       LYS  34  11.026   6.771  10.673
  219   1HD   LYS  34          2HD       LYS  34  11.733   4.847  11.641
  220   2HD   LYS  34          1HD       LYS  34  10.599   4.101  10.519
  221   1HE   LYS  34          2HE       LYS  34  12.495   3.891   8.882
  222   2HE   LYS  34          1HE       LYS  34  13.579   4.437  10.158
  223   1HZ   LYS  34          2HZ       LYS  34  12.787   2.551  11.510
  224   2HZ   LYS  34          1HZ       LYS  34  11.894   1.997  10.175
  225   3HZ   LYS  34          3HZ       LYS  34  13.586   2.067  10.091
  226    H    ARG  35           H        ARG  35  10.997   8.413   6.540
  227    HA   ARG  35           HA       ARG  35   9.062   7.529   4.489
  228   1HB   ARG  35          2HB       ARG  35  10.786  10.013   4.522
  229   2HB   ARG  35          1HB       ARG  35   9.715   9.530   3.210
  230   1HG   ARG  35          2HG       ARG  35   7.783   9.898   4.499
  231   2HG   ARG  35          1HG       ARG  35   8.686   9.892   6.011
  232   1HD   ARG  35          2HD       ARG  35   9.823  11.997   5.251
  233   2HD   ARG  35          1HD       ARG  35   8.726  12.025   3.872
  234    HE   ARG  35           HE       ARG  35   8.092  12.733   6.572
  235   1HH1  ARG  35          1HH2      ARG  35   6.841  11.364   3.633
  236   2HH1  ARG  35          2HH2      ARG  35   5.216  11.889   3.921
  237   1HH2  ARG  35          1HH1      ARG  35   4.712  13.084   5.809
  238   2HH2  ARG  35          2HH1      ARG  35   5.955  13.468   6.952
  239    H    CYS  36           H        CYS  36  10.481   8.061   2.238
  240    HA   CYS  36           HA       CYS  36  12.760   6.198   2.466
  241   1HB   CYS  36          2HB       CYS  36  10.602   5.806   0.988
  242   2HB   CYS  36          1HB       CYS  36  11.473   6.823  -0.141
  243    H    ASP  37           HN       ASP  37  14.657   7.163   2.415
  244    HA   ASP  37           HA       ASP  37  15.379   9.707   1.947
  245   1HB   ASP  37          2HB       ASP  37  16.758   7.110   1.527
  246   2HB   ASP  37          1HB       ASP  37  17.531   8.552   0.873
   
  No H/Q in entry =         246
  Start of MODEL    8
    1   1H    SER   1          2H        SER   1   7.705  -2.963 -10.907
    2   2H    SER   1          1H        SER   1   9.153  -3.608 -10.296
    3   3H    SER   1          3H        SER   1   8.033  -4.623 -11.064
    4    HA   SER   1           HA       SER   1   6.477  -4.414  -9.329
    5   1HB   SER   1          2HB       SER   1   7.756  -5.232  -7.386
    6   2HB   SER   1          1HB       SER   1   8.245  -6.023  -8.880
    7    HG   SER   1           HG       SER   1   9.731  -4.564  -7.168
    8    HA   PRO   2           HA       PRO   2   6.985  -0.149  -7.775
    9   1HB   PRO   2          2HB       PRO   2   4.429   0.620  -8.201
   10   2HB   PRO   2          1HB       PRO   2   5.681   0.678  -9.450
   11   1HG   PRO   2          2HG       PRO   2   3.419  -1.183  -9.147
   12   2HG   PRO   2          1HG       PRO   2   4.302  -0.704 -10.604
   13   1HD   PRO   2          2HD       PRO   2   4.606  -3.106  -9.140
   14   2HD   PRO   2          1HD       PRO   2   5.621  -2.530 -10.477
   15    H    THR   3           H        THR   3   6.940  -2.116  -5.944
   16    HA   THR   3           HA       THR   3   4.585  -1.633  -4.241
   17    HB   THR   3           HB       THR   3   5.415  -3.997  -4.955
   18    HG1  THR   3           HG1      THR   3   3.891  -4.203  -3.514
   19   1HG2  THR   3          2HG2      THR   3   7.754  -3.687  -4.304
   20   2HG2  THR   3          1HG2      THR   3   7.258  -3.419  -2.632
   21   3HG2  THR   3          3HG2      THR   3   7.007  -4.995  -3.383
   22    H    CYS   4           H        CYS   4   8.115  -1.857  -4.154
   23    HA   CYS   4           HA       CYS   4   8.615  -1.143  -1.537
   24   1HB   CYS   4          2HB       CYS   4  10.779  -0.383  -2.297
   25   2HB   CYS   4          1HB       CYS   4  10.329  -1.845  -3.157
   26    H    ILE   5           H        ILE   5   9.120   0.844  -0.522
   27    HA   ILE   5           HA       ILE   5   7.386   3.021  -1.306
   28    HB   ILE   5           HB       ILE   5   9.367   2.729   0.947
   29   1HG1  ILE   5          2HG1      ILE   5   6.844   2.813   2.027
   30   2HG1  ILE   5          1HG1      ILE   5   6.586   1.898   0.543
   31   1HG2  ILE   5          3HG2      ILE   5   8.384   5.090  -0.024
   32   2HG2  ILE   5          2HG2      ILE   5   7.205   4.687   1.227
   33   3HG2  ILE   5          1HG2      ILE   5   8.917   4.818   1.637
   34   1HD1  ILE   5          1HD1      ILE   5   8.901   1.206   2.316
   35   2HD1  ILE   5          3HD1      ILE   5   7.281   0.651   2.743
   36   3HD1  ILE   5          2HD1      ILE   5   7.999   0.175   1.202
   37    HA   PRO   6           HA       PRO   6  10.748   4.769  -3.744
   38   1HB   PRO   6          2HB       PRO   6   9.283   6.759  -4.846
   39   2HB   PRO   6          1HB       PRO   6   9.281   5.093  -5.445
   40   1HG   PRO   6          2HG       PRO   6   7.279   6.485  -3.733
   41   2HG   PRO   6          1HG       PRO   6   7.024   5.313  -5.040
   42   1HD   PRO   6          2HD       PRO   6   6.893   4.653  -2.397
   43   2HD   PRO   6          1HD       PRO   6   7.369   3.507  -3.669
   44    H    SER   7           H        SER   7  11.912   6.712  -3.744
   45    HA   SER   7           HA       SER   7  12.321   7.956  -1.308
   46   1HB   SER   7          2HB       SER   7  13.981   8.073  -3.044
   47   2HB   SER   7          1HB       SER   7  12.885   8.957  -4.100
   48    HG   SER   7           HG       SER   7  14.576  10.116  -2.672
   49    H    GLY   8           H        GLY   8  11.025   9.208  -0.152
   50   1HA   GLY   8          2HA       GLY   8   9.985  11.374   0.122
   51   2HA   GLY   8          1HA       GLY   8   9.387  11.242  -1.531
   52    H    GLN   9           H        GLN   9   9.134   8.269  -0.034
   53    HA   GLN   9           HA       GLN   9   6.319   8.779   0.720
   54   1HB   GLN   9          2HB       GLN   9   7.542   6.784  -1.030
   55   2HB   GLN   9          1HB       GLN   9   6.483   6.082   0.190
   56   1HG   GLN   9          2HG       GLN   9   4.814   7.940  -0.533
   57   2HG   GLN   9          1HG       GLN   9   5.820   8.050  -1.979
   58   1HE2  GLN   9          2HE2      GLN   9   4.041   4.420  -1.241
   59   2HE2  GLN   9          1HE2      GLN   9   4.726   5.344   0.048
   60    HA   PRO  10           HA       PRO  10   7.225   7.113   4.686
   61   1HB   PRO  10          2HB       PRO  10   4.893   5.914   5.360
   62   2HB   PRO  10          1HB       PRO  10   5.111   7.671   5.308
   63   1HG   PRO  10          2HG       PRO  10   3.761   5.878   3.369
   64   2HG   PRO  10          1HG       PRO  10   3.379   7.547   3.821
   65   1HD   PRO  10          2HD       PRO  10   4.697   6.797   1.507
   66   2HD   PRO  10          1HD       PRO  10   4.757   8.414   2.235
   67    H    CYS  11           H        CYS  11   8.605   5.493   4.984
   68    HA   CYS  11           HA       CYS  11   7.887   2.776   4.073
   69   1HB   CYS  11          2HB       CYS  11  10.218   2.305   3.883
   70   2HB   CYS  11          1HB       CYS  11   9.927   3.833   3.063
   71    HA   PRO  12           HA       PRO  12   7.841   1.643   8.359
   72   1HB   PRO  12          2HB       PRO  12   7.915  -1.048   8.083
   73   2HB   PRO  12          1HB       PRO  12   6.473  -0.076   7.747
   74   1HG   PRO  12          2HG       PRO  12   8.367  -1.349   5.866
   75   2HG   PRO  12          1HG       PRO  12   6.640  -1.010   5.676
   76   1HD   PRO  12          2HD       PRO  12   8.727   0.478   4.569
   77   2HD   PRO  12          1HD       PRO  12   7.040   1.004   4.723
   78    H    TYR  13           H        TYR  13  10.043  -0.390   6.422
   79    HA   TYR  13           HA       TYR  13  12.145   0.053   8.455
   80   1HB   TYR  13          2HB       TYR  13  12.161  -2.439   6.838
   81   2HB   TYR  13          1HB       TYR  13  12.739  -2.158   8.474
   82    HD1  TYR  13           HD1      TYR  13  11.226  -2.293  10.371
   83    HD2  TYR  13           HD2      TYR  13   9.854  -2.980   6.388
   84    HE1  TYR  13           HE1      TYR  13   9.158  -3.302  11.254
   85    HE2  TYR  13           HE2      TYR  13   7.787  -3.988   7.275
   86    HH   TYR  13           HH       TYR  13   7.421  -4.951  10.446
   87    H    ASN  14           H        ASN  14  14.351  -0.225   7.575
   88    HA   ASN  14           HA       ASN  14  14.689   1.257   5.163
   89   1HB   ASN  14          2HB       ASN  14  16.840  -0.348   6.523
   90   2HB   ASN  14          1HB       ASN  14  16.994   1.150   5.617
   91   1HD2  ASN  14          2HD2      ASN  14  17.310   2.251   8.995
   92   2HD2  ASN  14          1HD2      ASN  14  18.207   1.492   7.739
   93    H    GLU  15           H        GLU  15  13.905  -1.934   5.691
   94    HA   GLU  15           HA       GLU  15  15.367  -2.993   3.384
   95   1HB   GLU  15          2HB       GLU  15  14.815  -4.108   5.782
   96   2HB   GLU  15          1HB       GLU  15  13.432  -4.681   4.853
   97   1HG   GLU  15          2HG       GLU  15  15.332  -6.266   4.778
   98   2HG   GLU  15          1HG       GLU  15  14.921  -5.645   3.177
   99    H    ASN  16           H        ASN  16  12.396  -1.550   4.094
  100    HA   ASN  16           HA       ASN  16  11.040  -2.902   1.853
  101   1HB   ASN  16          2HB       ASN  16  10.053  -2.558   4.285
  102   2HB   ASN  16          1HB       ASN  16   9.624  -0.977   3.630
  103   1HD2  ASN  16          2HD2      ASN  16   6.692  -2.499   2.478
  104   2HD2  ASN  16          1HD2      ASN  16   7.419  -1.381   3.576
  105    H    CYS  17           H        CYS  17  13.058  -0.480   2.076
  106    HA   CYS  17           HA       CYS  17  11.494   1.543   0.651
  107   1HB   CYS  17          2HB       CYS  17  13.835   1.558   2.307
  108   2HB   CYS  17          1HB       CYS  17  14.215   2.271   0.749
  109    H    CYS  18           H        CYS  18  11.923   2.194  -1.450
  110    HA   CYS  18           HA       CYS  18  12.680   0.235  -3.300
  111   1HB   CYS  18          2HB       CYS  18  12.513   3.236  -3.533
  112   2HB   CYS  18          1HB       CYS  18  12.787   2.170  -4.898
  113    H    SER  19           H        SER  19  14.447   2.903  -1.854
  114    HA   SER  19           HA       SER  19  16.897   2.217  -3.255
  115   1HB   SER  19          2HB       SER  19  17.716   4.262  -2.567
  116   2HB   SER  19          1HB       SER  19  15.993   4.603  -2.650
  117    HG   SER  19           HG       SER  19  16.117   5.045  -0.586
  118    H    GLN  20           H        GLN  20  15.283   1.312  -0.454
  119    HA   GLN  20           HA       GLN  20  15.883  -0.183   1.188
  120   1HB   GLN  20          2HB       GLN  20  17.958  -0.465  -0.675
  121   2HB   GLN  20          1HB       GLN  20  18.736  -0.240   0.888
  122   1HG   GLN  20          2HG       GLN  20  18.229  -2.636   0.310
  123   2HG   GLN  20          1HG       GLN  20  17.544  -2.089   1.840
  124   1HE2  GLN  20          2HE2      GLN  20  15.153  -3.202  -1.246
  125   2HE2  GLN  20          1HE2      GLN  20  16.873  -3.114  -1.393
  126    H    SER  21           H        SER  21  16.632   2.946   0.929
  127    HA   SER  21           HA       SER  21  17.984   3.074   3.549
  128   1HB   SER  21          2HB       SER  21  18.079   4.819   1.121
  129   2HB   SER  21          1HB       SER  21  18.370   5.521   2.704
  130    HG   SER  21           HG       SER  21  19.780   3.381   1.461
  131    H    CYS  22           H        CYS  22  16.538   3.427   5.124
  132    HA   CYS  22           HA       CYS  22  14.214   5.157   4.566
  133   1HB   CYS  22          2HB       CYS  22  14.689   2.859   6.400
  134   2HB   CYS  22          1HB       CYS  22  13.542   4.093   6.890
  135    H    THR  23           H        THR  23  13.843   6.956   5.792
  136    HA   THR  23           HA       THR  23  15.772   7.598   7.933
  137    HB   THR  23           HB       THR  23  16.588   8.796   6.068
  138    HG1  THR  23           HG1      THR  23  16.675  10.430   7.375
  139   1HG2  THR  23          1HG2      THR  23  13.712   9.510   5.513
  140   2HG2  THR  23          3HG2      THR  23  15.080  10.287   4.716
  141   3HG2  THR  23          2HG2      THR  23  14.803   8.557   4.504
  142    H    PHE  24           H        PHE  24  14.934   9.770   9.020
  143    HA   PHE  24           HA       PHE  24  12.036   9.438   9.507
  144   1HB   PHE  24          2HB       PHE  24  14.281   9.419  11.303
  145   2HB   PHE  24          1HB       PHE  24  13.211  10.756  11.695
  146    HD1  PHE  24           HD1      PHE  24  10.667  10.155  11.831
  147    HD2  PHE  24           HD2      PHE  24  13.843   7.320  12.148
  148    HE1  PHE  24           HE1      PHE  24   9.158   8.594  12.996
  149    HE2  PHE  24           HE2      PHE  24  12.333   5.759  13.314
  150    HZ   PHE  24           HZ       PHE  24   9.990   6.396  13.737
  151    H    LYS  25           H        LYS  25  10.855  11.128   8.891
  152    HA   LYS  25           HA       LYS  25  12.098  13.809   8.863
  153   1HB   LYS  25          2HB       LYS  25  11.757  13.203   6.595
  154   2HB   LYS  25          1HB       LYS  25  10.161  12.539   6.936
  155   1HG   LYS  25          2HG       LYS  25   9.306  14.763   7.427
  156   2HG   LYS  25          1HG       LYS  25  10.910  15.456   7.208
  157   1HD   LYS  25          2HD       LYS  25  10.228  13.921   4.886
  158   2HD   LYS  25          1HD       LYS  25   8.909  15.034   5.247
  159   1HE   LYS  25          2HE       LYS  25  11.670  16.120   5.387
  160   2HE   LYS  25          1HE       LYS  25  11.042  15.743   3.787
  161   1HZ   LYS  25          3HZ       LYS  25   9.344  17.260   5.624
  162   2HZ   LYS  25          2HZ       LYS  25  10.647  18.063   4.888
  163   3HZ   LYS  25          1HZ       LYS  25   9.445  17.335   3.933
  164    H    GLU  26           H        GLU  26  10.709  15.572   9.383
  165    HA   GLU  26           HA       GLU  26   8.639  14.848  11.291
  166   1HB   GLU  26          2HB       GLU  26  10.534  16.567  11.668
  167   2HB   GLU  26          1HB       GLU  26   9.532  17.646  10.700
  168   1HG   GLU  26          2HG       GLU  26   8.525  18.159  12.650
  169   2HG   GLU  26          1HG       GLU  26   7.714  16.602  12.478
  170    H    ASN  27           H        ASN  27   6.515  15.368  11.111
  171    HA   ASN  27           HA       ASN  27   5.585  16.244   8.474
  172   1HB   ASN  27          2HB       ASN  27   3.480  15.504  10.307
  173   2HB   ASN  27          1HB       ASN  27   3.914  14.789   8.760
  174   1HD2  ASN  27          2HD2      ASN  27   4.463  12.616  11.943
  175   2HD2  ASN  27          1HD2      ASN  27   3.293  13.861  11.687
  176    H    GLU  28           H        GLU  28   3.174  17.278   8.968
  177    HA   GLU  28           HA       GLU  28   3.804  19.823  10.219
  178   1HB   GLU  28          2HB       GLU  28   2.781  19.812   7.987
  179   2HB   GLU  28          1HB       GLU  28   1.383  18.958   8.636
  180   1HG   GLU  28          2HG       GLU  28   0.677  20.818   9.885
  181   2HG   GLU  28          1HG       GLU  28   2.258  21.595   9.791
  182    H    ASN  29           H        ASN  29   2.132  16.926  10.881
  183    HA   ASN  29           HA       ASN  29   0.157  17.925  12.679
  184   1HB   ASN  29          2HB       ASN  29   0.380  15.598  11.491
  185   2HB   ASN  29          1HB       ASN  29   1.318  15.178  12.925
  186   1HD2  ASN  29          2HD2      ASN  29  -1.748  14.266  14.349
  187   2HD2  ASN  29          1HD2      ASN  29  -0.236  13.742  13.696
  188    H    GLY  30           H        GLY  30   3.516  17.651  12.886
  189   1HA   GLY  30          2HA       GLY  30   4.803  18.520  14.655
  190   2HA   GLY  30          1HA       GLY  30   3.441  18.251  15.738
  191    H    ASN  31           H        ASN  31   4.091  15.667  13.636
  192    HA   ASN  31           HA       ASN  31   5.410  14.167  15.813
  193   1HB   ASN  31          2HB       ASN  31   3.315  13.461  13.814
  194   2HB   ASN  31          1HB       ASN  31   4.447  12.205  14.312
  195   1HD2  ASN  31          2HD2      ASN  31   2.758  11.582  17.264
  196   2HD2  ASN  31          1HD2      ASN  31   3.789  11.046  15.985
  197    H    THR  32           H        THR  32   6.425  12.052  14.606
  198    HA   THR  32           HA       THR  32   7.926  12.932  12.247
  199    HB   THR  32           HB       THR  32   9.125  13.316  14.561
  200    HG1  THR  32           HG1      THR  32  10.090  13.632  12.532
  201   1HG2  THR  32          3HG2      THR  32   8.760  10.932  15.274
  202   2HG2  THR  32          2HG2      THR  32   9.885  10.448  14.002
  203   3HG2  THR  32          1HG2      THR  32  10.440  11.470  15.330
  204    H    VAL  33           H        VAL  33   7.862  11.408  10.755
  205    HA   VAL  33           HA       VAL  33   7.504   8.597  11.605
  206    HB   VAL  33           HB       VAL  33   6.667   9.491   8.898
  207   1HG1  VAL  33          1HG1      VAL  33   6.233   7.255  10.706
  208   2HG1  VAL  33          3HG1      VAL  33   4.727   7.872  10.024
  209   3HG1  VAL  33          2HG1      VAL  33   6.032   7.350   8.955
  210   1HG2  VAL  33          1HG2      VAL  33   5.374  10.341  11.449
  211   2HG2  VAL  33          3HG2      VAL  33   5.498  11.193   9.908
  212   3HG2  VAL  33          2HG2      VAL  33   4.337   9.877  10.098
  213    H    LYS  34           H        LYS  34   8.039   7.235   9.396
  214    HA   LYS  34           HA       LYS  34  10.778   8.076   8.677
  215   1HB   LYS  34          2HB       LYS  34   9.589   5.468   9.420
  216   2HB   LYS  34          1HB       LYS  34  10.781   5.444   8.124
  217   1HG   LYS  34          2HG       LYS  34  12.449   6.417   9.517
  218   2HG   LYS  34          1HG       LYS  34  11.267   6.825  10.757
  219   1HD   LYS  34          2HD       LYS  34  12.390   4.912  11.579
  220   2HD   LYS  34          1HD       LYS  34  10.847   4.317  10.972
  221   1HE   LYS  34          2HE       LYS  34  11.832   3.385   9.050
  222   2HE   LYS  34          1HE       LYS  34  13.306   4.332   9.239
  223   1HZ   LYS  34          3HZ       LYS  34  12.938   2.784  11.542
  224   2HZ   LYS  34          2HZ       LYS  34  12.763   1.767  10.194
  225   3HZ   LYS  34          1HZ       LYS  34  14.179   2.682  10.392
  226    H    ARG  35           H        ARG  35  11.137   8.521   6.606
  227    HA   ARG  35           HA       ARG  35   9.208   7.566   4.583
  228   1HB   ARG  35          2HB       ARG  35  10.595  10.164   4.986
  229   2HB   ARG  35          1HB       ARG  35  10.361   9.623   3.326
  230   1HG   ARG  35          2HG       ARG  35   8.195  10.180   3.392
  231   2HG   ARG  35          1HG       ARG  35   7.948   9.220   4.848
  232   1HD   ARG  35          2HD       ARG  35   8.548  11.053   6.260
  233   2HD   ARG  35          1HD       ARG  35   9.140  11.994   4.891
  234    HE   ARG  35           HE       ARG  35   6.438  11.396   4.428
  235   1HH1  ARG  35          1HH2      ARG  35   8.424  13.184   6.661
  236   2HH1  ARG  35          2HH2      ARG  35   7.217  14.385   6.980
  237   1HH2  ARG  35          2HH1      ARG  35   4.841  12.984   4.831
  238   2HH2  ARG  35          1HH1      ARG  35   5.180  14.270   5.940
  239    H    CYS  36           H        CYS  36  10.626   8.108   2.304
  240    HA   CYS  36           HA       CYS  36  12.894   6.236   2.541
  241   1HB   CYS  36          2HB       CYS  36  10.725   5.850   1.068
  242   2HB   CYS  36          1HB       CYS  36  11.617   6.834  -0.075
  243    H    ASP  37           HN       ASP  37  14.859   6.877   2.007
  244    HA   ASP  37           HA       ASP  37  15.569   9.545   1.620
  245   1HB   ASP  37          2HB       ASP  37  16.946   6.919   1.393
  246   2HB   ASP  37          1HB       ASP  37  17.738   8.315   0.663
   
  No H/Q in entry =         246
  Start of MODEL    9
    1   1H    SER   1          3H        SER   1   2.779  -1.071 -11.266
    2   2H    SER   1          2H        SER   1   3.744  -2.374 -11.775
    3   3H    SER   1          1H        SER   1   2.061  -2.417 -12.007
    4    HA   SER   1           HA       SER   1   1.700  -2.457  -9.630
    5   1HB   SER   1          2HB       SER   1   3.257  -4.542 -11.040
    6   2HB   SER   1          1HB       SER   1   3.172  -4.685  -9.288
    7    HG   SER   1           HG       SER   1   0.784  -4.299  -9.706
    8    HA   PRO   2           HA       PRO   2   5.402  -0.588  -7.768
    9   1HB   PRO   2          2HB       PRO   2   4.059   0.877  -5.931
   10   2HB   PRO   2          1HB       PRO   2   4.309   1.406  -7.602
   11   1HG   PRO   2          2HG       PRO   2   1.874   0.334  -6.310
   12   2HG   PRO   2          1HG       PRO   2   2.032   1.491  -7.641
   13   1HD   PRO   2          2HD       PRO   2   1.390  -1.211  -7.899
   14   2HD   PRO   2          1HD       PRO   2   1.942  -0.144  -9.205
   15    H    THR   3           H        THR   3   6.526  -1.289  -6.021
   16    HA   THR   3           HA       THR   3   5.081  -2.834  -3.958
   17    HB   THR   3           HB       THR   3   6.116  -4.575  -5.006
   18    HG1  THR   3           HG1      THR   3   7.230  -5.019  -3.286
   19   1HG2  THR   3          1HG2      THR   3   7.966  -2.485  -6.004
   20   2HG2  THR   3          3HG2      THR   3   8.604  -4.127  -5.885
   21   3HG2  THR   3          2HG2      THR   3   7.174  -3.804  -6.868
   22    H    CYS   4           H        CYS   4   8.536  -2.255  -4.190
   23    HA   CYS   4           HA       CYS   4   8.930  -1.474  -1.576
   24   1HB   CYS   4          2HB       CYS   4  11.053  -0.583  -2.299
   25   2HB   CYS   4          1HB       CYS   4  10.720  -2.075  -3.162
   26    H    ILE   5           H        ILE   5   9.282   0.555  -0.587
   27    HA   ILE   5           HA       ILE   5   7.413   2.597  -1.418
   28    HB   ILE   5           HB       ILE   5   9.366   2.415   0.869
   29   1HG1  ILE   5          2HG1      ILE   5   6.945   2.404   2.014
   30   2HG1  ILE   5          1HG1      ILE   5   6.518   1.680   0.465
   31   1HG2  ILE   5          2HG2      ILE   5   8.304   4.745  -0.154
   32   2HG2  ILE   5          1HG2      ILE   5   7.186   4.331   1.146
   33   3HG2  ILE   5          3HG2      ILE   5   8.906   4.515   1.488
   34   1HD1  ILE   5          1HD1      ILE   5   8.749   0.695   2.258
   35   2HD1  ILE   5          3HD1      ILE   5   7.131  -0.003   2.200
   36   3HD1  ILE   5          2HD1      ILE   5   8.170  -0.070   0.776
   37    HA   PRO   6           HA       PRO   6  10.698   4.519  -3.849
   38   1HB   PRO   6          2HB       PRO   6   9.104   6.392  -4.996
   39   2HB   PRO   6          1HB       PRO   6   9.233   4.724  -5.577
   40   1HG   PRO   6          2HG       PRO   6   7.119   5.979  -3.888
   41   2HG   PRO   6          1HG       PRO   6   6.957   4.802  -5.205
   42   1HD   PRO   6          2HD       PRO   6   6.833   4.101  -2.583
   43   2HD   PRO   6          1HD       PRO   6   7.446   3.012  -3.845
   44    H    SER   7           H        SER   7  11.676   6.612  -3.888
   45    HA   SER   7           HA       SER   7  11.980   7.860  -1.434
   46   1HB   SER   7          2HB       SER   7  12.399   9.113  -4.145
   47   2HB   SER   7          1HB       SER   7  13.121   9.640  -2.629
   48    HG   SER   7           HG       SER   7  14.642   8.329  -3.513
   49    H    GLY   8           H        GLY   8  10.786   9.218  -0.283
   50   1HA   GLY   8          2HA       GLY   8   9.562  11.286  -0.087
   51   2HA   GLY   8          1HA       GLY   8   8.825  10.950  -1.653
   52    H    GLN   9           H        GLN   9   8.505   8.076  -0.790
   53    HA   GLN   9           HA       GLN   9   5.915   8.413   0.503
   54   1HB   GLN   9          2HB       GLN   9   7.043   6.601  -1.386
   55   2HB   GLN   9          1HB       GLN   9   6.516   5.678   0.018
   56   1HG   GLN   9          2HG       GLN   9   4.483   5.741  -0.967
   57   2HG   GLN   9          1HG       GLN   9   4.410   7.390  -0.343
   58   1HE2  GLN   9          2HE2      GLN   9   5.321   8.862  -3.509
   59   2HE2  GLN   9          1HE2      GLN   9   5.673   8.984  -1.822
   60    HA   PRO  10           HA       PRO  10   7.242   6.994   4.456
   61   1HB   PRO  10          2HB       PRO  10   5.011   5.774   5.380
   62   2HB   PRO  10          1HB       PRO  10   5.166   7.530   5.220
   63   1HG   PRO  10          2HG       PRO  10   3.698   5.605   3.516
   64   2HG   PRO  10          1HG       PRO  10   3.333   7.299   3.884
   65   1HD   PRO  10          2HD       PRO  10   4.488   6.372   1.528
   66   2HD   PRO  10          1HD       PRO  10   4.518   8.050   2.102
   67    H    CYS  11           H        CYS  11   8.514   5.365   5.050
   68    HA   CYS  11           HA       CYS  11   7.873   2.624   4.144
   69   1HB   CYS  11          2HB       CYS  11  10.234   2.186   3.992
   70   2HB   CYS  11          1HB       CYS  11   9.863   3.619   3.044
   71    HA   PRO  12           HA       PRO  12   7.893   1.629   8.458
   72   1HB   PRO  12          2HB       PRO  12   7.951  -1.069   8.259
   73   2HB   PRO  12          1HB       PRO  12   6.511  -0.098   7.916
   74   1HG   PRO  12          2HG       PRO  12   8.364  -1.442   6.047
   75   2HG   PRO  12          1HG       PRO  12   6.639  -1.087   5.870
   76   1HD   PRO  12          2HD       PRO  12   8.739   0.344   4.702
   77   2HD   PRO  12          1HD       PRO  12   7.056   0.887   4.843
   78    H    TYR  13           H        TYR  13  10.226  -0.065   6.378
   79    HA   TYR  13           HA       TYR  13  12.278   0.288   8.460
   80   1HB   TYR  13          2HB       TYR  13  12.309  -2.244   6.907
   81   2HB   TYR  13          1HB       TYR  13  12.898  -1.913   8.530
   82    HD1  TYR  13           HD2      TYR  13  11.106  -1.490  10.346
   83    HD2  TYR  13           HD1      TYR  13  10.298  -3.335   6.585
   84    HE1  TYR  13           HE2      TYR  13   9.052  -2.489  11.275
   85    HE2  TYR  13           HE1      TYR  13   8.246  -4.332   7.516
   86    HH   TYR  13           HH       TYR  13   6.629  -3.755   9.441
   87    H    ASN  14           H        ASN  14  14.468   0.118   7.612
   88    HA   ASN  14           HA       ASN  14  14.795   1.498   5.149
   89   1HB   ASN  14          2HB       ASN  14  16.968  -0.006   6.588
   90   2HB   ASN  14          1HB       ASN  14  17.100   1.454   5.618
   91   1HD2  ASN  14          2HD2      ASN  14  17.363   2.723   8.935
   92   2HD2  ASN  14          1HD2      ASN  14  18.285   1.940   7.713
   93    H    GLU  15           H        GLU  15  14.148  -1.716   5.812
   94    HA   GLU  15           HA       GLU  15  15.655  -2.815   3.566
   95   1HB   GLU  15          2HB       GLU  15  14.744  -3.822   6.017
   96   2HB   GLU  15          1HB       GLU  15  13.772  -4.631   4.790
   97   1HG   GLU  15          2HG       GLU  15  15.746  -5.423   3.658
   98   2HG   GLU  15          1HG       GLU  15  16.789  -4.455   4.701
   99    H    ASN  16           H        ASN  16  12.578  -1.496   4.209
  100    HA   ASN  16           HA       ASN  16  11.358  -2.874   1.913
  101   1HB   ASN  16          2HB       ASN  16  10.280  -2.541   4.308
  102   2HB   ASN  16          1HB       ASN  16   9.824  -0.979   3.625
  103   1HD2  ASN  16          2HD2      ASN  16   6.973  -2.713   2.507
  104   2HD2  ASN  16          1HD2      ASN  16   7.621  -1.640   3.696
  105    H    CYS  17           H        CYS  17  13.305  -0.407   2.140
  106    HA   CYS  17           HA       CYS  17  11.734   1.606   0.720
  107   1HB   CYS  17          2HB       CYS  17  14.095   1.612   2.327
  108   2HB   CYS  17          1HB       CYS  17  14.493   2.256   0.742
  109    H    CYS  18           H        CYS  18  12.079   2.217  -1.405
  110    HA   CYS  18           HA       CYS  18  12.835   0.227  -3.245
  111   1HB   CYS  18          2HB       CYS  18  12.435   3.202  -3.491
  112   2HB   CYS  18          1HB       CYS  18  12.850   2.193  -4.865
  113    H    SER  19           H        SER  19  14.519   2.956  -1.839
  114    HA   SER  19           HA       SER  19  16.956   2.410  -3.325
  115   1HB   SER  19          2HB       SER  19  17.656   4.500  -2.703
  116   2HB   SER  19          1HB       SER  19  15.914   4.739  -2.611
  117    HG   SER  19           HG       SER  19  17.235   5.396  -0.706
  118    H    GLN  20           H        GLN  20  15.473   1.305  -0.559
  119    HA   GLN  20           HA       GLN  20  16.192  -0.140   1.073
  120   1HB   GLN  20          2HB       GLN  20  18.405  -0.087  -0.774
  121   2HB   GLN  20          1HB       GLN  20  18.985  -0.190   0.887
  122   1HG   GLN  20          2HG       GLN  20  18.669  -2.432   0.134
  123   2HG   GLN  20          1HG       GLN  20  17.329  -2.076   1.224
  124   1HE2  GLN  20          2HE2      GLN  20  15.181  -3.265  -1.246
  125   2HE2  GLN  20          1HE2      GLN  20  15.820  -3.428   0.351
  126    H    SER  21           H        SER  21  16.715   3.037   0.859
  127    HA   SER  21           HA       SER  21  18.031   3.191   3.502
  128   1HB   SER  21          2HB       SER  21  18.345   4.812   1.032
  129   2HB   SER  21          1HB       SER  21  18.407   5.659   2.571
  130    HG   SER  21           HG       SER  21  20.225   4.600   3.088
  131    H    CYS  22           H        CYS  22  16.494   3.551   4.988
  132    HA   CYS  22           HA       CYS  22  14.187   5.251   4.309
  133   1HB   CYS  22          2HB       CYS  22  14.710   3.135   6.341
  134   2HB   CYS  22          1HB       CYS  22  13.534   4.382   6.717
  135    H    THR  23           H        THR  23  13.498   6.854   5.902
  136    HA   THR  23           HA       THR  23  15.544   7.795   7.770
  137    HB   THR  23           HB       THR  23  16.226   9.053   5.925
  138    HG1  THR  23           HG1      THR  23  16.044  10.856   6.969
  139   1HG2  THR  23          2HG2      THR  23  14.245   8.400   4.516
  140   2HG2  THR  23          1HG2      THR  23  13.363   9.734   5.266
  141   3HG2  THR  23          3HG2      THR  23  14.802  10.060   4.296
  142    H    PHE  24           H        PHE  24  14.629   9.856   8.902
  143    HA   PHE  24           HA       PHE  24  11.739   9.479   9.401
  144   1HB   PHE  24          2HB       PHE  24  13.929   9.131  11.183
  145   2HB   PHE  24          1HB       PHE  24  13.032  10.551  11.696
  146    HD1  PHE  24           HD1      PHE  24  10.352  10.146  11.546
  147    HD2  PHE  24           HD2      PHE  24  13.328   7.145  12.149
  148    HE1  PHE  24           HE1      PHE  24   8.667   8.688  12.601
  149    HE2  PHE  24           HE2      PHE  24  11.644   5.688  13.205
  150    HZ   PHE  24           HZ       PHE  24   9.314   6.459  13.430
  151    H    LYS  25           H        LYS  25  10.688  11.235   8.734
  152    HA   LYS  25           HA       LYS  25  11.978  13.877   9.059
  153   1HB   LYS  25          2HB       LYS  25  10.319  12.699   6.888
  154   2HB   LYS  25          1HB       LYS  25  10.101  14.411   7.244
  155   1HG   LYS  25          2HG       LYS  25  12.119  14.969   6.393
  156   2HG   LYS  25          1HG       LYS  25  12.909  13.556   7.085
  157   1HD   LYS  25          2HD       LYS  25  12.068  12.155   5.293
  158   2HD   LYS  25          1HD       LYS  25  11.136  13.498   4.637
  159   1HE   LYS  25          2HE       LYS  25  13.189  13.177   3.356
  160   2HE   LYS  25          1HE       LYS  25  13.221  14.725   4.194
  161   1HZ   LYS  25          2HZ       LYS  25  14.478  13.495   5.994
  162   2HZ   LYS  25          1HZ       LYS  25  14.681  12.244   4.864
  163   3HZ   LYS  25          3HZ       LYS  25  15.312  13.786   4.543
  164    H    GLU  26           H        GLU  26  10.664  15.607   9.770
  165    HA   GLU  26           HA       GLU  26   8.485  14.754  11.492
  166   1HB   GLU  26          2HB       GLU  26  10.268  16.184  12.403
  167   2HB   GLU  26          1HB       GLU  26   9.828  17.444  11.251
  168   1HG   GLU  26          2HG       GLU  26   7.529  17.457  12.244
  169   2HG   GLU  26          1HG       GLU  26   8.103  16.327  13.472
  170    H    ASN  27           H        ASN  27   6.422  15.542  11.412
  171    HA   ASN  27           HA       ASN  27   5.614  16.818   8.885
  172   1HB   ASN  27          2HB       ASN  27   3.344  15.897  10.288
  173   2HB   ASN  27          1HB       ASN  27   4.045  15.228   8.822
  174   1HD2  ASN  27          2HD2      ASN  27   4.004  12.986  12.032
  175   2HD2  ASN  27          1HD2      ASN  27   2.943  14.295  11.651
  176    H    GLU  28           H        GLU  28   3.226  17.829   9.462
  177    HA   GLU  28           HA       GLU  28   3.851  20.045  11.236
  178   1HB   GLU  28          2HB       GLU  28   2.894  20.316   8.884
  179   2HB   GLU  28          1HB       GLU  28   1.374  19.731   9.558
  180   1HG   GLU  28          2HG       GLU  28   1.029  21.636  10.789
  181   2HG   GLU  28          1HG       GLU  28   2.753  21.940  11.001
  182    H    ASN  29           H        ASN  29   1.709  17.308  10.950
  183    HA   ASN  29           HA       ASN  29  -0.310  17.832  12.725
  184   1HB   ASN  29          2HB       ASN  29  -0.026  15.716  11.445
  185   2HB   ASN  29          1HB       ASN  29   1.234  15.236  12.583
  186   1HD2  ASN  29          2HD2      ASN  29  -0.962  14.458  15.211
  187   2HD2  ASN  29          1HD2      ASN  29   0.662  14.833  14.759
  188    H    GLY  30           H        GLY  30   3.055  17.180  13.398
  189   1HA   GLY  30          2HA       GLY  30   4.000  18.220  15.397
  190   2HA   GLY  30          1HA       GLY  30   2.549  17.704  16.248
  191    H    ASN  31           H        ASN  31   3.977  15.585  13.926
  192    HA   ASN  31           HA       ASN  31   5.309  14.024  16.040
  193   1HB   ASN  31          2HB       ASN  31   2.938  13.282  14.493
  194   2HB   ASN  31          1HB       ASN  31   4.236  12.093  14.400
  195   1HD2  ASN  31          2HD2      ASN  31   2.270  12.782  17.911
  196   2HD2  ASN  31          1HD2      ASN  31   2.103  13.842  16.557
  197    H    THR  32           H        THR  32   6.158  11.905  14.567
  198    HA   THR  32           HA       THR  32   7.464  12.980  12.170
  199    HB   THR  32           HB       THR  32   8.894  13.225  14.312
  200    HG1  THR  32           HG1      THR  32  10.327  13.446  12.806
  201   1HG2  THR  32          1HG2      THR  32   8.460  10.935  15.148
  202   2HG2  THR  32          3HG2      THR  32   9.320  10.288  13.750
  203   3HG2  THR  32          2HG2      THR  32  10.181  11.269  14.938
  204    H    VAL  33           H        VAL  33   7.658  11.521  10.572
  205    HA   VAL  33           HA       VAL  33   7.070   8.693  11.209
  206    HB   VAL  33           HB       VAL  33   6.415   9.791   8.529
  207   1HG1  VAL  33          1HG1      VAL  33   5.722   7.507  10.216
  208   2HG1  VAL  33          3HG1      VAL  33   4.334   8.233   9.403
  209   3HG1  VAL  33          2HG1      VAL  33   5.712   7.665   8.458
  210   1HG2  VAL  33          1HG2      VAL  33   5.037  10.567  11.060
  211   2HG2  VAL  33          3HG2      VAL  33   5.295  11.501   9.585
  212   3HG2  VAL  33          2HG2      VAL  33   4.053  10.247   9.629
  213    H    LYS  34           H        LYS  34   7.693   7.368   9.074
  214    HA   LYS  34           HA       LYS  34  10.464   8.171   8.430
  215   1HB   LYS  34          2HB       LYS  34   9.204   5.576   9.110
  216   2HB   LYS  34          1HB       LYS  34  10.444   5.548   7.858
  217   1HG   LYS  34          2HG       LYS  34  12.082   6.439   9.316
  218   2HG   LYS  34          1HG       LYS  34  10.873   6.923  10.501
  219   1HD   LYS  34          2HD       LYS  34  10.799   4.871  11.444
  220   2HD   LYS  34          1HD       LYS  34  10.867   4.050   9.887
  221   1HE   LYS  34          2HE       LYS  34  13.243   4.261   9.785
  222   2HE   LYS  34          1HE       LYS  34  13.268   5.367  11.155
  223   1HZ   LYS  34          1HZ       LYS  34  12.315   2.568  11.349
  224   2HZ   LYS  34          3HZ       LYS  34  13.922   3.024  11.648
  225   3HZ   LYS  34          2HZ       LYS  34  12.671   3.638  12.620
  226    H    ARG  35           H        ARG  35  10.999   8.439   6.346
  227    HA   ARG  35           HA       ARG  35   9.059   7.599   4.279
  228   1HB   ARG  35          2HB       ARG  35  10.789  10.071   4.401
  229   2HB   ARG  35          1HB       ARG  35   9.894   9.563   2.971
  230   1HG   ARG  35          2HG       ARG  35   7.855  10.091   3.892
  231   2HG   ARG  35          1HG       ARG  35   8.402   9.797   5.540
  232   1HD   ARG  35          2HD       ARG  35   9.882  11.887   5.201
  233   2HD   ARG  35          1HD       ARG  35   8.840  12.224   3.819
  234    HE   ARG  35           HE       ARG  35   7.234  11.697   6.079
  235   1HH1  ARG  35          1HH2      ARG  35   9.352  14.076   4.682
  236   2HH1  ARG  35          2HH2      ARG  35   8.666  15.400   5.562
  237   1HH2  ARG  35          2HH1      ARG  35   6.359  13.426   7.298
  238   2HH2  ARG  35          1HH1      ARG  35   6.963  15.030   7.050
  239    H    CYS  36           H        CYS  36  10.451   7.974   2.031
  240    HA   CYS  36           HA       CYS  36  12.757   6.161   2.347
  241   1HB   CYS  36          2HB       CYS  36  10.612   5.618   0.916
  242   2HB   CYS  36          1HB       CYS  36  11.426   6.611  -0.279
  243    H    ASP  37           HN       ASP  37  14.679   6.622   1.394
  244    HA   ASP  37           HA       ASP  37  15.330   9.366   0.981
  245   1HB   ASP  37          2HB       ASP  37  16.776   6.769   0.961
  246   2HB   ASP  37          1HB       ASP  37  17.533   8.125   0.126
   
  No H/Q in entry =         246
  Start of MODEL   10
    1   1H    SER   1          1H        SER   1   1.872  -0.518 -10.474
    2   2H    SER   1          3H        SER   1   1.259  -1.997 -11.035
    3   3H    SER   1          2H        SER   1   0.194  -0.775 -10.528
    4    HA   SER   1           HA       SER   1   0.573  -1.117  -8.328
    5   1HB   SER   1          2HB       SER   1   1.235  -3.859  -9.392
    6   2HB   SER   1          1HB       SER   1   0.426  -3.457  -7.882
    7    HG   SER   1           HG       SER   1  -0.720  -2.497 -10.245
    8    HA   PRO   2           HA       PRO   2   5.092  -0.922  -7.890
    9   1HB   PRO   2          2HB       PRO   2   5.083   0.925  -5.914
   10   2HB   PRO   2          1HB       PRO   2   4.967   1.339  -7.630
   11   1HG   PRO   2          2HG       PRO   2   2.863   1.313  -5.552
   12   2HG   PRO   2          1HG       PRO   2   3.016   2.328  -6.995
   13   1HD   PRO   2          2HD       PRO   2   1.340   0.112  -6.730
   14   2HD   PRO   2          1HD       PRO   2   1.802   0.891  -8.255
   15    H    THR   3           H        THR   3   6.499  -1.258  -5.967
   16    HA   THR   3           HA       THR   3   5.136  -2.803  -3.847
   17    HB   THR   3           HB       THR   3   6.156  -4.525  -4.941
   18    HG1  THR   3           HG1      THR   3   7.290  -4.937  -3.217
   19   1HG2  THR   3          2HG2      THR   3   7.975  -2.412  -5.960
   20   2HG2  THR   3          1HG2      THR   3   8.607  -4.058  -5.890
   21   3HG2  THR   3          3HG2      THR   3   7.151  -3.712  -6.824
   22    H    CYS   4           H        CYS   4   8.580  -2.252  -4.129
   23    HA   CYS   4           HA       CYS   4   9.034  -1.457  -1.541
   24   1HB   CYS   4          2HB       CYS   4  11.136  -0.567  -2.305
   25   2HB   CYS   4          1HB       CYS   4  10.780  -2.039  -3.189
   26    H    ILE   5           H        ILE   5   9.350   0.547  -0.524
   27    HA   ILE   5           HA       ILE   5   7.481   2.599  -1.329
   28    HB   ILE   5           HB       ILE   5   9.418   2.365   0.967
   29   1HG1  ILE   5          2HG1      ILE   5   6.988   2.373   2.095
   30   2HG1  ILE   5          1HG1      ILE   5   6.562   1.682   0.531
   31   1HG2  ILE   5          3HG2      ILE   5   8.320   4.720  -0.039
   32   2HG2  ILE   5          2HG2      ILE   5   7.295   4.298   1.333
   33   3HG2  ILE   5          1HG2      ILE   5   9.037   4.481   1.556
   34   1HD1  ILE   5          3HD1      ILE   5   8.738   0.635   2.355
   35   2HD1  ILE   5          2HD1      ILE   5   7.121  -0.055   2.206
   36   3HD1  ILE   5          1HD1      ILE   5   8.222  -0.082   0.827
   37    HA   PRO   6           HA       PRO   6  10.768   4.572  -3.713
   38   1HB   PRO   6          2HB       PRO   6   9.175   6.467  -4.825
   39   2HB   PRO   6          1HB       PRO   6   9.307   4.811  -5.439
   40   1HG   PRO   6          2HG       PRO   6   7.190   6.028  -3.726
   41   2HG   PRO   6          1HG       PRO   6   7.029   4.880  -5.070
   42   1HD   PRO   6          2HD       PRO   6   6.901   4.120  -2.466
   43   2HD   PRO   6          1HD       PRO   6   7.522   3.060  -3.750
   44    H    SER   7           H        SER   7  11.748   6.659  -3.705
   45    HA   SER   7           HA       SER   7  12.064   7.858  -1.233
   46   1HB   SER   7          2HB       SER   7  12.410   9.321  -3.839
   47   2HB   SER   7          1HB       SER   7  13.287   9.567  -2.333
   48    HG   SER   7           HG       SER   7  14.162   8.144  -4.226
   49    H    GLY   8           H        GLY   8  10.898   9.212  -0.040
   50   1HA   GLY   8          2HA       GLY   8   9.654  11.251   0.228
   51   2HA   GLY   8          1HA       GLY   8   8.915  10.965  -1.347
   52    H    GLN   9           H        GLN   9   8.590   8.063  -0.566
   53    HA   GLN   9           HA       GLN   9   6.000   8.371   0.734
   54   1HB   GLN   9          2HB       GLN   9   7.183   6.547  -1.154
   55   2HB   GLN   9          1HB       GLN   9   6.502   5.656   0.205
   56   1HG   GLN   9          2HG       GLN   9   4.677   5.833  -1.229
   57   2HG   GLN   9          1HG       GLN   9   4.433   7.210  -0.151
   58   1HE2  GLN   9          2HE2      GLN   9   5.171   7.751  -4.095
   59   2HE2  GLN   9          1HE2      GLN   9   5.124   6.189  -3.361
   60    HA   PRO  10           HA       PRO  10   7.315   6.842   4.647
   61   1HB   PRO  10          2HB       PRO  10   5.084   5.597   5.535
   62   2HB   PRO  10          1HB       PRO  10   5.239   7.357   5.424
   63   1HG   PRO  10          2HG       PRO  10   3.776   5.478   3.665
   64   2HG   PRO  10          1HG       PRO  10   3.409   7.160   4.077
   65   1HD   PRO  10          2HD       PRO  10   4.568   6.296   1.700
   66   2HD   PRO  10          1HD       PRO  10   4.595   7.959   2.318
   67    H    CYS  11           H        CYS  11   8.638   5.221   5.118
   68    HA   CYS  11           HA       CYS  11   7.983   2.492   4.187
   69   1HB   CYS  11          2HB       CYS  11  10.352   2.072   4.011
   70   2HB   CYS  11          1HB       CYS  11   9.949   3.503   3.075
   71    HA   PRO  12           HA       PRO  12   8.082   1.413   8.482
   72   1HB   PRO  12          2HB       PRO  12   8.130  -1.279   8.230
   73   2HB   PRO  12          1HB       PRO  12   6.685  -0.299   7.934
   74   1HG   PRO  12          2HG       PRO  12   8.492  -1.617   6.005
   75   2HG   PRO  12          1HG       PRO  12   6.768  -1.239   5.865
   76   1HD   PRO  12          2HD       PRO  12   8.872   0.193   4.695
   77   2HD   PRO  12          1HD       PRO  12   7.192   0.740   4.858
   78    H    TYR  13           H        TYR  13  10.365  -0.279   6.338
   79    HA   TYR  13           HA       TYR  13  12.449   0.016   8.403
   80   1HB   TYR  13          2HB       TYR  13  12.456  -2.446   6.739
   81   2HB   TYR  13          1HB       TYR  13  13.071  -2.187   8.366
   82    HD1  TYR  13           HD2      TYR  13  11.351  -1.903  10.244
   83    HD2  TYR  13           HD1      TYR  13  10.394  -3.455   6.386
   84    HE1  TYR  13           HE2      TYR  13   9.310  -2.935  11.162
   85    HE2  TYR  13           HE1      TYR  13   8.355  -4.486   7.308
   86    HH   TYR  13           HH       TYR  13   7.505  -4.142  10.737
   87    H    ASN  14           H        ASN  14  14.619  -0.043   7.548
   88    HA   ASN  14           HA       ASN  14  14.938   1.432   5.156
   89   1HB   ASN  14          2HB       ASN  14  17.103  -0.193   6.480
   90   2HB   ASN  14          1HB       ASN  14  17.260   1.305   5.573
   91   1HD2  ASN  14          2HD2      ASN  14  17.600   2.428   8.934
   92   2HD2  ASN  14          1HD2      ASN  14  18.484   1.680   7.662
   93    H    GLU  15           H        GLU  15  14.365  -1.846   5.708
   94    HA   GLU  15           HA       GLU  15  15.777  -2.834   3.364
   95   1HB   GLU  15          2HB       GLU  15  15.037  -3.962   5.757
   96   2HB   GLU  15          1HB       GLU  15  13.829  -4.603   4.645
   97   1HG   GLU  15          2HG       GLU  15  16.537  -4.659   3.543
   98   2HG   GLU  15          1HG       GLU  15  16.370  -5.615   5.017
   99    H    ASN  16           H        ASN  16  12.575  -1.820   4.278
  100    HA   ASN  16           HA       ASN  16  11.366  -2.988   1.893
  101   1HB   ASN  16          2HB       ASN  16  10.341  -2.711   4.318
  102   2HB   ASN  16          1HB       ASN  16   9.882  -1.128   3.686
  103   1HD2  ASN  16          2HD2      ASN  16   7.001  -2.702   2.477
  104   2HD2  ASN  16          1HD2      ASN  16   7.689  -1.591   3.608
  105    H    CYS  17           H        CYS  17  13.340  -0.552   2.121
  106    HA   CYS  17           HA       CYS  17  11.737   1.493   0.773
  107   1HB   CYS  17          2HB       CYS  17  14.100   1.492   2.379
  108   2HB   CYS  17          1HB       CYS  17  14.483   2.183   0.810
  109    H    CYS  18           H        CYS  18  12.117   2.195  -1.327
  110    HA   CYS  18           HA       CYS  18  12.865   0.252  -3.223
  111   1HB   CYS  18          2HB       CYS  18  12.464   3.232  -3.385
  112   2HB   CYS  18          1HB       CYS  18  12.883   2.264  -4.787
  113    H    SER  19           H        SER  19  14.544   2.930  -1.728
  114    HA   SER  19           HA       SER  19  16.990   2.424  -3.222
  115   1HB   SER  19          2HB       SER  19  17.683   4.507  -2.556
  116   2HB   SER  19          1HB       SER  19  15.940   4.740  -2.494
  117    HG   SER  19           HG       SER  19  16.930   5.439  -0.549
  118    H    GLN  20           H        GLN  20  15.501   1.256  -0.492
  119    HA   GLN  20           HA       GLN  20  16.207  -0.173   1.153
  120   1HB   GLN  20          2HB       GLN  20  18.950   0.198  -0.060
  121   2HB   GLN  20          1HB       GLN  20  18.508  -1.005   1.147
  122   1HG   GLN  20          2HG       GLN  20  17.417  -0.801  -1.668
  123   2HG   GLN  20          1HG       GLN  20  18.520  -2.034  -1.053
  124   1HE2  GLN  20          2HE2      GLN  20  15.949  -3.468   1.096
  125   2HE2  GLN  20          1HE2      GLN  20  17.571  -2.886   1.212
  126    H    SER  21           H        SER  21  16.702   2.984   0.975
  127    HA   SER  21           HA       SER  21  18.081   3.120   3.588
  128   1HB   SER  21          2HB       SER  21  18.374   4.733   1.121
  129   2HB   SER  21          1HB       SER  21  18.411   5.607   2.646
  130    HG   SER  21           HG       SER  21  20.489   4.974   2.360
  131    H    CYS  22           H        CYS  22  16.539   3.416   5.087
  132    HA   CYS  22           HA       CYS  22  14.241   5.152   4.484
  133   1HB   CYS  22          2HB       CYS  22  14.774   2.984   6.460
  134   2HB   CYS  22          1HB       CYS  22  13.584   4.211   6.853
  135    H    THR  23           H        THR  23  13.667   6.847   5.911
  136    HA   THR  23           HA       THR  23  15.663   7.673   7.899
  137    HB   THR  23           HB       THR  23  16.447   8.918   6.092
  138    HG1  THR  23           HG1      THR  23  16.282  10.609   7.321
  139   1HG2  THR  23          3HG2      THR  23  14.546   8.317   4.583
  140   2HG2  THR  23          2HG2      THR  23  13.616   9.625   5.316
  141   3HG2  THR  23          1HG2      THR  23  15.094   9.986   4.421
  142    H    PHE  24           H        PHE  24  14.773   9.785   8.998
  143    HA   PHE  24           HA       PHE  24  11.882   9.398   9.488
  144   1HB   PHE  24          2HB       PHE  24  14.120   9.359  11.278
  145   2HB   PHE  24          1HB       PHE  24  13.065  10.703  11.689
  146    HD1  PHE  24           HD2      PHE  24  10.526  10.138  11.863
  147    HD2  PHE  24           HD1      PHE  24  13.657   7.244  12.075
  148    HE1  PHE  24           HE2      PHE  24   9.007   8.580  13.020
  149    HE2  PHE  24           HE1      PHE  24  12.138   5.687  13.235
  150    HZ   PHE  24           HZ       PHE  24   9.813   6.356  13.708
  151    H    LYS  25           H        LYS  25  10.716  11.061   8.784
  152    HA   LYS  25           HA       LYS  25  11.909  13.767   8.842
  153   1HB   LYS  25          2HB       LYS  25  10.974  12.372   6.637
  154   2HB   LYS  25          1HB       LYS  25   9.637  13.443   7.053
  155   1HG   LYS  25          2HG       LYS  25  12.402  14.569   6.994
  156   2HG   LYS  25          1HG       LYS  25  11.594  14.247   5.462
  157   1HD   LYS  25          2HD       LYS  25   9.621  15.567   6.401
  158   2HD   LYS  25          1HD       LYS  25  10.714  16.088   7.680
  159   1HE   LYS  25          2HE       LYS  25  11.336  17.748   6.309
  160   2HE   LYS  25          1HE       LYS  25  12.165  16.522   5.354
  161   1HZ   LYS  25          3HZ       LYS  25   9.308  16.887   4.884
  162   2HZ   LYS  25          2HZ       LYS  25  10.349  18.111   4.331
  163   3HZ   LYS  25          1HZ       LYS  25  10.550  16.513   3.791
  164    H    GLU  26           H        GLU  26  10.694  15.415   9.693
  165    HA   GLU  26           HA       GLU  26   8.442  14.615  11.342
  166   1HB   GLU  26          2HB       GLU  26  10.254  15.985  12.298
  167   2HB   GLU  26          1HB       GLU  26   9.868  17.267  11.154
  168   1HG   GLU  26          2HG       GLU  26   7.427  16.879  12.223
  169   2HG   GLU  26          1HG       GLU  26   8.426  16.404  13.598
  170    H    ASN  27           H        ASN  27   6.376  15.270  11.086
  171    HA   ASN  27           HA       ASN  27   5.670  16.531   8.550
  172   1HB   ASN  27          2HB       ASN  27   3.458  15.842  10.314
  173   2HB   ASN  27          1HB       ASN  27   3.779  15.330   8.664
  174   1HD2  ASN  27          2HD2      ASN  27   4.200  12.712  11.560
  175   2HD2  ASN  27          1HD2      ASN  27   3.251  14.154  11.597
  176    H    GLU  28           H        GLU  28   3.326  17.733   9.105
  177    HA   GLU  28           HA       GLU  28   4.165  20.111  10.548
  178   1HB   GLU  28          2HB       GLU  28   3.118  20.199   8.253
  179   2HB   GLU  28          1HB       GLU  28   1.610  19.686   9.008
  180   1HG   GLU  28          2HG       GLU  28   2.817  21.910  10.435
  181   2HG   GLU  28          1HG       GLU  28   2.528  22.306   8.740
  182    H    ASN  29           H        ASN  29   2.261  17.321  10.989
  183    HA   ASN  29           HA       ASN  29   0.324  18.341  12.812
  184   1HB   ASN  29          2HB       ASN  29   0.425  16.073  11.501
  185   2HB   ASN  29          1HB       ASN  29   1.309  15.517  12.921
  186   1HD2  ASN  29          2HD2      ASN  29  -1.857  14.707  14.197
  187   2HD2  ASN  29          1HD2      ASN  29  -0.388  14.122  13.504
  188    H    GLY  30           H        GLY  30   3.653  17.823  13.052
  189   1HA   GLY  30          2HA       GLY  30   4.955  18.531  14.887
  190   2HA   GLY  30          1HA       GLY  30   3.565  18.269  15.935
  191    H    ASN  31           H        ASN  31   4.086  15.782  13.691
  192    HA   ASN  31           HA       ASN  31   5.289  14.086  15.789
  193   1HB   ASN  31          2HB       ASN  31   3.248  13.583  13.658
  194   2HB   ASN  31          1HB       ASN  31   4.251  12.254  14.231
  195   1HD2  ASN  31          2HD2      ASN  31   1.368  13.883  16.609
  196   2HD2  ASN  31          1HD2      ASN  31   1.852  14.628  15.127
  197    H    THR  32           H        THR  32   6.267  12.021  14.543
  198    HA   THR  32           HA       THR  32   7.817  12.909  12.219
  199    HB   THR  32           HB       THR  32   9.000  13.214  14.550
  200    HG1  THR  32           HG1      THR  32  10.193  13.638  12.801
  201   1HG2  THR  32          3HG2      THR  32   8.586  10.864  15.262
  202   2HG2  THR  32          2HG2      THR  32   9.630  10.322  13.946
  203   3HG2  THR  32          1HG2      THR  32  10.296  11.303  15.254
  204    H    VAL  33           H        VAL  33   7.755  11.417  10.697
  205    HA   VAL  33           HA       VAL  33   7.289   8.602  11.474
  206    HB   VAL  33           HB       VAL  33   6.574   9.609   8.766
  207   1HG1  VAL  33          3HG1      VAL  33   6.015   7.314  10.476
  208   2HG1  VAL  33          2HG1      VAL  33   4.566   7.982   9.720
  209   3HG1  VAL  33          1HG1      VAL  33   5.927   7.467   8.720
  210   1HG2  VAL  33          3HG2      VAL  33   5.633  11.295  10.305
  211   2HG2  VAL  33          2HG2      VAL  33   4.374  10.340   9.518
  212   3HG2  VAL  33          1HG2      VAL  33   4.816  10.008  11.194
  213    H    LYS  34           H        LYS  34   7.854   7.281   9.239
  214    HA   LYS  34           HA       LYS  34  10.628   8.072   8.599
  215   1HB   LYS  34          2HB       LYS  34   9.399   5.472   9.339
  216   2HB   LYS  34          1HB       LYS  34  10.666   5.445   8.117
  217   1HG   LYS  34          2HG       LYS  34  12.263   6.351   9.587
  218   2HG   LYS  34          1HG       LYS  34  11.030   6.923  10.707
  219   1HD   LYS  34          2HD       LYS  34  11.555   4.000  10.151
  220   2HD   LYS  34          1HD       LYS  34  12.297   4.888  11.481
  221   1HE   LYS  34          2HE       LYS  34  10.495   4.355  12.700
  222   2HE   LYS  34          1HE       LYS  34   9.588   5.482  11.695
  223   1HZ   LYS  34          1HZ       LYS  34  10.007   2.761  10.702
  224   2HZ   LYS  34          3HZ       LYS  34   8.871   2.993  11.939
  225   3HZ   LYS  34          2HZ       LYS  34   8.696   3.814  10.461
  226    H    ARG  35           H        ARG  35  11.031   8.456   6.522
  227    HA   ARG  35           HA       ARG  35   9.120   7.476   4.490
  228   1HB   ARG  35          2HB       ARG  35  10.703  10.025   4.697
  229   2HB   ARG  35          1HB       ARG  35  10.080   9.457   3.151
  230   1HG   ARG  35          2HG       ARG  35   7.904   9.874   3.719
  231   2HG   ARG  35          1HG       ARG  35   8.172   9.530   5.426
  232   1HD   ARG  35          2HD       ARG  35   9.577  11.722   5.393
  233   2HD   ARG  35          1HD       ARG  35   8.698  12.063   3.904
  234    HE   ARG  35           HE       ARG  35   6.892  11.306   5.960
  235   1HH1  ARG  35          1HH2      ARG  35   8.881  13.908   4.783
  236   2HH1  ARG  35          2HH2      ARG  35   7.958  15.147   5.566
  237   1HH2  ARG  35          2HH1      ARG  35   5.698  12.929   7.047
  238   2HH2  ARG  35          1HH1      ARG  35   6.148  14.590   6.853
  239    H    CYS  36           H        CYS  36  10.520   7.905   2.220
  240    HA   CYS  36           HA       CYS  36  12.820   6.083   2.523
  241   1HB   CYS  36          2HB       CYS  36  10.683   5.573   1.071
  242   2HB   CYS  36          1HB       CYS  36  11.502   6.585  -0.101
  243    H    ASP  37           HN       ASP  37  14.726   6.500   1.435
  244    HA   ASP  37           HA       ASP  37  15.445   9.248   1.179
  245   1HB   ASP  37          2HB       ASP  37  16.808   6.620   0.896
  246   2HB   ASP  37          1HB       ASP  37  17.565   8.017   0.133
   
  No H/Q in entry =         246
  Start of MODEL   11
    1   1H    SER   1          3H        SER   1   8.712  -3.276  -9.110
    2   2H    SER   1          2H        SER   1   9.102  -2.962 -10.735
    3   3H    SER   1          1H        SER   1  10.274  -3.603  -9.685
    4    HA   SER   1           HA       SER   1  10.763  -1.642  -8.762
    5   1HB   SER   1          2HB       SER   1   9.932  -1.316 -11.513
    6   2HB   SER   1          1HB       SER   1   9.694   0.172 -10.604
    7    HG   SER   1           HG       SER   1  11.982  -0.458  -9.806
    8    HA   PRO   2           HA       PRO   2   6.602   0.624  -8.103
    9   1HB   PRO   2          2HB       PRO   2   4.357  -0.420  -9.188
   10   2HB   PRO   2          1HB       PRO   2   5.418   0.707 -10.046
   11   1HG   PRO   2          2HG       PRO   2   5.067  -2.192 -10.422
   12   2HG   PRO   2          1HG       PRO   2   5.616  -0.960 -11.569
   13   1HD   PRO   2          2HD       PRO   2   7.226  -2.797 -10.143
   14   2HD   PRO   2          1HD       PRO   2   7.778  -1.434 -11.136
   15    H    THR   3           H        THR   3   7.626  -1.284  -6.457
   16    HA   THR   3           HA       THR   3   5.221  -2.354  -5.142
   17    HB   THR   3           HB       THR   3   6.681  -4.064  -6.454
   18    HG1  THR   3           HG1      THR   3   5.260  -5.078  -5.260
   19   1HG2  THR   3          1HG2      THR   3   8.306  -3.726  -3.930
   20   2HG2  THR   3          3HG2      THR   3   8.493  -5.034  -5.101
   21   3HG2  THR   3          2HG2      THR   3   8.845  -3.370  -5.573
   22    H    CYS   4           H        CYS   4   8.680  -1.669  -4.806
   23    HA   CYS   4           HA       CYS   4   8.641  -1.508  -1.960
   24   1HB   CYS   4          2HB       CYS   4  10.877  -0.473  -2.263
   25   2HB   CYS   4          1HB       CYS   4  10.697  -2.012  -3.088
   26    H    ILE   5           H        ILE   5   9.387   0.568  -0.856
   27    HA   ILE   5           HA       ILE   5   7.512   2.684  -1.583
   28    HB   ILE   5           HB       ILE   5   9.378   2.427   0.768
   29   1HG1  ILE   5          2HG1      ILE   5   6.682   2.155   1.543
   30   2HG1  ILE   5          1HG1      ILE   5   6.898   1.117   0.135
   31   1HG2  ILE   5          3HG2      ILE   5   8.304   4.722  -0.064
   32   2HG2  ILE   5          2HG2      ILE   5   6.927   4.099   0.847
   33   3HG2  ILE   5          1HG2      ILE   5   8.482   4.330   1.647
   34   1HD1  ILE   5          1HD1      ILE   5   8.971   1.056   2.284
   35   2HD1  ILE   5          3HD1      ILE   5   7.435   0.234   2.566
   36   3HD1  ILE   5          2HD1      ILE   5   8.444  -0.228   1.193
   37    HA   PRO   6           HA       PRO   6  10.985   4.678  -3.653
   38   1HB   PRO   6          2HB       PRO   6   9.488   6.546  -4.928
   39   2HB   PRO   6          1HB       PRO   6   9.698   4.887  -5.514
   40   1HG   PRO   6          2HG       PRO   6   7.392   6.113  -4.097
   41   2HG   PRO   6          1HG       PRO   6   7.411   4.879  -5.369
   42   1HD   PRO   6          2HD       PRO   6   7.035   4.341  -2.697
   43   2HD   PRO   6          1HD       PRO   6   7.653   3.165  -3.875
   44    H    SER   7           H        SER   7  11.930   6.793  -3.578
   45    HA   SER   7           HA       SER   7  12.018   7.988  -1.091
   46   1HB   SER   7          2HB       SER   7  13.704   8.286  -2.875
   47   2HB   SER   7          1HB       SER   7  12.578   9.329  -3.737
   48    HG   SER   7           HG       SER   7  12.676  10.268  -1.292
   49    H    GLY   8           H        GLY   8  10.729   9.295   0.009
   50   1HA   GLY   8          2HA       GLY   8   9.460  11.350   0.129
   51   2HA   GLY   8          1HA       GLY   8   8.777  10.965  -1.449
   52    H    GLN   9           H        GLN   9   8.435   8.119  -0.663
   53    HA   GLN   9           HA       GLN   9   5.859   8.431   0.669
   54   1HB   GLN   9          2HB       GLN   9   6.972   6.652  -1.278
   55   2HB   GLN   9          1HB       GLN   9   6.383   5.713   0.090
   56   1HG   GLN   9          2HG       GLN   9   4.294   5.962  -0.670
   57   2HG   GLN   9          1HG       GLN   9   4.439   7.707  -0.451
   58   1HE2  GLN   9          2HE2      GLN   9   4.995   6.029  -4.147
   59   2HE2  GLN   9          1HE2      GLN   9   5.108   5.077  -2.710
   60    HA   PRO  10           HA       PRO  10   7.183   6.848   4.552
   61   1HB   PRO  10          2HB       PRO  10   4.974   5.549   5.420
   62   2HB   PRO  10          1HB       PRO  10   5.097   7.313   5.330
   63   1HG   PRO  10          2HG       PRO  10   3.671   5.428   3.546
   64   2HG   PRO  10          1HG       PRO  10   3.273   7.100   3.978
   65   1HD   PRO  10          2HD       PRO  10   4.452   6.284   1.593
   66   2HD   PRO  10          1HD       PRO  10   4.447   7.941   2.230
   67    H    CYS  11           H        CYS  11   8.491   5.236   5.081
   68    HA   CYS  11           HA       CYS  11   7.929   2.514   4.076
   69   1HB   CYS  11          2HB       CYS  11  10.285   2.134   3.938
   70   2HB   CYS  11          1HB       CYS  11   9.937   3.637   3.094
   71    HA   PRO  12           HA       PRO  12   7.819   1.377   8.357
   72   1HB   PRO  12          2HB       PRO  12   7.974  -1.311   8.078
   73   2HB   PRO  12          1HB       PRO  12   6.512  -0.378   7.721
   74   1HG   PRO  12          2HG       PRO  12   8.484  -1.577   5.867
   75   2HG   PRO  12          1HG       PRO  12   6.746  -1.317   5.656
   76   1HD   PRO  12          2HD       PRO  12   8.758   0.262   4.560
   77   2HD   PRO  12          1HD       PRO  12   7.056   0.734   4.739
   78    H    TYR  13           H        TYR  13  10.191  -0.383   6.364
   79    HA   TYR  13           HA       TYR  13  12.207   0.049   8.476
   80   1HB   TYR  13          2HB       TYR  13  12.338  -2.443   6.863
   81   2HB   TYR  13          1HB       TYR  13  12.878  -2.139   8.508
   82    HD1  TYR  13           HD2      TYR  13  11.316  -2.280  10.378
   83    HD2  TYR  13           HD1      TYR  13  10.079  -3.104   6.378
   84    HE1  TYR  13           HE2      TYR  13   9.269  -3.357  11.230
   85    HE2  TYR  13           HE1      TYR  13   8.034  -4.180   7.234
   86    HH   TYR  13           HH       TYR  13   7.625  -5.223  10.248
   87    H    ASN  14           H        ASN  14  14.438  -0.158   7.640
   88    HA   ASN  14           HA       ASN  14  14.779   1.339   5.239
   89   1HB   ASN  14          2HB       ASN  14  16.940  -0.194   6.666
   90   2HB   ASN  14          1HB       ASN  14  17.080   1.295   5.740
   91   1HD2  ASN  14          2HD2      ASN  14  17.250   2.450   9.116
   92   2HD2  ASN  14          1HD2      ASN  14  18.212   1.687   7.911
   93    H    GLU  15           H        GLU  15  14.069  -1.869   5.715
   94    HA   GLU  15           HA       GLU  15  15.632  -2.866   3.450
   95   1HB   GLU  15          2HB       GLU  15  14.820  -4.000   5.848
   96   2HB   GLU  15          1HB       GLU  15  13.744  -4.722   4.653
   97   1HG   GLU  15          2HG       GLU  15  16.019  -5.001   3.306
   98   2HG   GLU  15          1HG       GLU  15  16.705  -4.951   4.931
   99    H    ASN  16           H        ASN  16  12.615  -1.488   4.064
  100    HA   ASN  16           HA       ASN  16  11.322  -2.870   1.811
  101   1HB   ASN  16          2HB       ASN  16  10.264  -2.368   4.188
  102   2HB   ASN  16          1HB       ASN  16   9.908  -0.812   3.437
  103   1HD2  ASN  16          2HD2      ASN  16   6.953  -2.431   2.407
  104   2HD2  ASN  16          1HD2      ASN  16   7.665  -1.365   3.564
  105    H    CYS  17           H        CYS  17  13.169  -0.164   2.384
  106    HA   CYS  17           HA       CYS  17  11.817   1.745   0.730
  107   1HB   CYS  17          2HB       CYS  17  14.193   1.647   2.346
  108   2HB   CYS  17          1HB       CYS  17  14.570   2.326   0.769
  109    H    CYS  18           H        CYS  18  12.208   2.286  -1.393
  110    HA   CYS  18           HA       CYS  18  12.916   0.241  -3.188
  111   1HB   CYS  18          2HB       CYS  18  12.556   3.212  -3.459
  112   2HB   CYS  18          1HB       CYS  18  13.072   2.232  -4.822
  113    H    SER  19           H        SER  19  14.684   2.891  -1.752
  114    HA   SER  19           HA       SER  19  17.121   2.242  -3.209
  115   1HB   SER  19          2HB       SER  19  17.828   4.340  -2.716
  116   2HB   SER  19          1HB       SER  19  16.108   4.626  -2.476
  117    HG   SER  19           HG       SER  19  17.968   4.990  -0.707
  118    H    GLN  20           H        GLN  20  15.553   1.238  -0.463
  119    HA   GLN  20           HA       GLN  20  16.208  -0.219   1.190
  120   1HB   GLN  20          2HB       GLN  20  18.449  -0.224  -0.581
  121   2HB   GLN  20          1HB       GLN  20  19.031  -0.190   1.081
  122   1HG   GLN  20          2HG       GLN  20  18.788  -2.466   0.750
  123   2HG   GLN  20          1HG       GLN  20  17.210  -2.061   1.428
  124   1HE2  GLN  20          2HE2      GLN  20  15.788  -3.686  -1.309
  125   2HE2  GLN  20          1HE2      GLN  20  16.026  -3.623   0.402
  126    H    SER  21           H        SER  21  16.854   2.973   0.925
  127    HA   SER  21           HA       SER  21  18.048   3.151   3.620
  128   1HB   SER  21          2HB       SER  21  18.243   4.874   1.185
  129   2HB   SER  21          1HB       SER  21  18.416   5.604   2.774
  130    HG   SER  21           HG       SER  21  19.998   3.591   1.555
  131    H    CYS  22           H        CYS  22  16.591   3.577   5.147
  132    HA   CYS  22           HA       CYS  22  14.211   5.186   4.464
  133   1HB   CYS  22          2HB       CYS  22  14.731   2.991   6.411
  134   2HB   CYS  22          1HB       CYS  22  13.543   4.212   6.834
  135    H    THR  23           H        THR  23  13.668   6.957   5.738
  136    HA   THR  23           HA       THR  23  15.589   7.766   7.822
  137    HB   THR  23           HB       THR  23  16.399   9.041   6.068
  138    HG1  THR  23           HG1      THR  23  16.107  10.768   7.215
  139   1HG2  THR  23          2HG2      THR  23  14.618   8.338   4.468
  140   2HG2  THR  23          1HG2      THR  23  13.585   9.606   5.132
  141   3HG2  THR  23          3HG2      THR  23  15.088  10.033   4.311
  142    H    PHE  24           H        PHE  24  14.678   9.870   8.899
  143    HA   PHE  24           HA       PHE  24  11.794   9.450   9.401
  144   1HB   PHE  24          2HB       PHE  24  14.063   9.581  11.169
  145   2HB   PHE  24          1HB       PHE  24  12.926  10.868  11.543
  146    HD1  PHE  24           HD1      PHE  24  10.446  10.174  11.811
  147    HD2  PHE  24           HD2      PHE  24  13.722   7.442  11.981
  148    HE1  PHE  24           HE1      PHE  24   9.038   8.561  13.031
  149    HE2  PHE  24           HE2      PHE  24  12.313   5.829  13.200
  150    HZ   PHE  24           HZ       PHE  24   9.971   6.388  13.726
  151    H    LYS  25           H        LYS  25  10.571  11.062   8.664
  152    HA   LYS  25           HA       LYS  25  11.732  13.776   8.498
  153   1HB   LYS  25          2HB       LYS  25  10.736  12.321   6.442
  154   2HB   LYS  25          1HB       LYS  25   9.281  13.165   6.970
  155   1HG   LYS  25          2HG       LYS  25  11.819  14.711   6.621
  156   2HG   LYS  25          1HG       LYS  25  10.890  14.255   5.195
  157   1HD   LYS  25          2HD       LYS  25   8.945  15.234   6.872
  158   2HD   LYS  25          1HD       LYS  25  10.319  16.272   7.245
  159   1HE   LYS  25          2HE       LYS  25   9.559  15.720   4.395
  160   2HE   LYS  25          1HE       LYS  25   8.708  16.952   5.321
  161   1HZ   LYS  25          1HZ       LYS  25  11.534  17.175   5.601
  162   2HZ   LYS  25          3HZ       LYS  25  11.067  17.259   3.973
  163   3HZ   LYS  25          2HZ       LYS  25  10.402  18.339   5.104
  164    H    GLU  26           H        GLU  26  10.375  15.544   9.086
  165    HA   GLU  26           HA       GLU  26   8.451  14.842  11.155
  166   1HB   GLU  26          2HB       GLU  26  10.423  16.581  11.298
  167   2HB   GLU  26          1HB       GLU  26   9.233  17.653  10.565
  168   1HG   GLU  26          2HG       GLU  26   7.771  17.475  12.395
  169   2HG   GLU  26          1HG       GLU  26   8.550  16.008  12.989
  170    H    ASN  27           H        ASN  27   6.328  15.368  11.106
  171    HA   ASN  27           HA       ASN  27   5.236  16.264   8.542
  172   1HB   ASN  27          2HB       ASN  27   3.239  15.573  10.505
  173   2HB   ASN  27          1HB       ASN  27   3.569  14.832   8.946
  174   1HD2  ASN  27          2HD2      ASN  27   4.274  12.699  12.130
  175   2HD2  ASN  27          1HD2      ASN  27   3.119  13.967  11.931
  176    H    GLU  28           H        GLU  28   2.903  17.369   9.153
  177    HA   GLU  28           HA       GLU  28   3.662  19.889  10.384
  178   1HB   GLU  28          2HB       GLU  28   2.475  19.723   8.151
  179   2HB   GLU  28          1HB       GLU  28   1.048  19.214   9.051
  180   1HG   GLU  28          2HG       GLU  28   0.822  21.561   8.736
  181   2HG   GLU  28          1HG       GLU  28   1.314  21.344  10.417
  182    H    ASN  29           H        ASN  29   1.961  17.033  11.127
  183    HA   ASN  29           HA       ASN  29   0.075  18.069  12.995
  184   1HB   ASN  29          2HB       ASN  29   0.227  15.728  11.823
  185   2HB   ASN  29          1HB       ASN  29   1.218  15.314  13.224
  186   1HD2  ASN  29          2HD2      ASN  29  -1.774  14.463  14.818
  187   2HD2  ASN  29          1HD2      ASN  29  -0.280  13.926  14.136
  188    H    GLY  30           H        GLY  30   3.440  17.712  13.072
  189   1HA   GLY  30          2HA       GLY  30   4.796  18.617  14.784
  190   2HA   GLY  30          1HA       GLY  30   3.483  18.340  15.924
  191    H    ASN  31           H        ASN  31   4.079  15.774  13.772
  192    HA   ASN  31           HA       ASN  31   5.513  14.280  15.881
  193   1HB   ASN  31          2HB       ASN  31   3.265  13.571  14.065
  194   2HB   ASN  31          1HB       ASN  31   4.440  12.312  14.441
  195   1HD2  ASN  31          2HD2      ASN  31   1.893  13.727  17.297
  196   2HD2  ASN  31          1HD2      ASN  31   2.080  14.522  15.774
  197    H    THR  32           H        THR  32   6.399  12.133  14.588
  198    HA   THR  32           HA       THR  32   7.774  13.018  12.152
  199    HB   THR  32           HB       THR  32   9.147  13.419  14.303
  200    HG1  THR  32           HG1      THR  32  10.171  13.556  12.365
  201   1HG2  THR  32          3HG2      THR  32   8.622  11.148  15.244
  202   2HG2  THR  32          2HG2      THR  32   9.654  10.461  13.987
  203   3HG2  THR  32          1HG2      THR  32  10.340  11.549  15.196
  204    H    VAL  33           H        VAL  33   7.642  11.506  10.648
  205    HA   VAL  33           HA       VAL  33   7.195   8.704  11.475
  206    HB   VAL  33           HB       VAL  33   6.501   9.655   8.745
  207   1HG1  VAL  33          1HG1      VAL  33   5.871   7.433  10.533
  208   2HG1  VAL  33          3HG1      VAL  33   4.455   8.103   9.718
  209   3HG1  VAL  33          2HG1      VAL  33   5.826   7.520   8.770
  210   1HG2  VAL  33          1HG2      VAL  33   5.268  10.661  11.224
  211   2HG2  VAL  33          3HG2      VAL  33   5.246  11.333   9.592
  212   3HG2  VAL  33          2HG2      VAL  33   4.133  10.035  10.026
  213    H    LYS  34           H        LYS  34   7.749   7.340   9.261
  214    HA   LYS  34           HA       LYS  34  10.528   8.101   8.605
  215   1HB   LYS  34          2HB       LYS  34   9.291   5.529   9.411
  216   2HB   LYS  34          1HB       LYS  34  10.536   5.460   8.167
  217   1HG   LYS  34          2HG       LYS  34  12.168   6.383   9.582
  218   2HG   LYS  34          1HG       LYS  34  10.963   7.001  10.709
  219   1HD   LYS  34          2HD       LYS  34  10.775   5.019  11.800
  220   2HD   LYS  34          1HD       LYS  34  10.944   4.074  10.323
  221   1HE   LYS  34          2HE       LYS  34  13.324   5.545  11.370
  222   2HE   LYS  34          1HE       LYS  34  12.830   4.057  12.171
  223   1HZ   LYS  34          1HZ       LYS  34  12.748   3.420   9.537
  224   2HZ   LYS  34          3HZ       LYS  34  14.105   4.433   9.632
  225   3HZ   LYS  34          2HZ       LYS  34  14.013   3.045  10.606
  226    H    ARG  35           H        ARG  35  10.854   8.551   6.538
  227    HA   ARG  35           HA       ARG  35   8.978   7.491   4.517
  228   1HB   ARG  35          2HB       ARG  35  10.440  10.092   4.780
  229   2HB   ARG  35          1HB       ARG  35  10.003   9.499   3.179
  230   1HG   ARG  35          2HG       ARG  35   7.771   9.819   3.520
  231   2HG   ARG  35          1HG       ARG  35   7.871   9.435   5.236
  232   1HD   ARG  35          2HD       ARG  35   9.188  11.700   5.373
  233   2HD   ARG  35          1HD       ARG  35   8.375  12.038   3.845
  234    HE   ARG  35           HE       ARG  35   6.488  11.111   5.739
  235   1HH1  ARG  35          1HH2      ARG  35   8.443  13.854   4.866
  236   2HH1  ARG  35          2HH2      ARG  35   7.421  15.006   5.661
  237   1HH2  ARG  35          2HH1      ARG  35   5.160  12.615   6.844
  238   2HH2  ARG  35          1HH1      ARG  35   5.554  14.301   6.786
  239    H    CYS  36           H        CYS  36  10.392   7.952   2.242
  240    HA   CYS  36           HA       CYS  36  12.699   6.141   2.556
  241   1HB   CYS  36          2HB       CYS  36  10.596   5.601   1.096
  242   2HB   CYS  36          1HB       CYS  36  11.369   6.666  -0.063
  243    H    ASP  37           HN       ASP  37  14.660   6.822   2.059
  244    HA   ASP  37           HA       ASP  37  15.347   9.473   1.632
  245   1HB   ASP  37          2HB       ASP  37  16.734   6.860   1.339
  246   2HB   ASP  37          1HB       ASP  37  17.499   8.270   0.606
   
  No H/Q in entry =         246
  Start of MODEL   12
    1   1H    SER   1          3H        SER   1   3.479   0.000  -8.396
    2   2H    SER   1          2H        SER   1   2.142   0.614  -9.247
    3   3H    SER   1          1H        SER   1   3.668   1.340  -9.419
    4    HA   SER   1           HA       SER   1   3.467   2.556  -7.588
    5   1HB   SER   1          2HB       SER   1   0.847   1.972  -8.633
    6   2HB   SER   1          1HB       SER   1   0.761   2.243  -6.895
    7    HG   SER   1           HG       SER   1   0.713   4.272  -7.661
    8    HA   PRO   2           HA       PRO   2   1.885  -0.370  -4.147
    9   1HB   PRO   2          2HB       PRO   2   0.919  -2.804  -4.827
   10   2HB   PRO   2          1HB       PRO   2  -0.084  -1.347  -4.744
   11   1HG   PRO   2          2HG       PRO   2   0.944  -2.792  -7.106
   12   2HG   PRO   2          1HG       PRO   2  -0.523  -1.818  -6.925
   13   1HD   PRO   2          2HD       PRO   2   1.865  -1.005  -8.150
   14   2HD   PRO   2          1HD       PRO   2   0.519   0.046  -7.667
   15    H    THR   3           H        THR   3   4.365  -0.247  -4.512
   16    HA   THR   3           HA       THR   3   5.430  -2.933  -4.101
   17    HB   THR   3           HB       THR   3   5.620  -2.243  -6.570
   18    HG1  THR   3           HG1      THR   3   7.065  -3.746  -6.435
   19   1HG2  THR   3          2HG2      THR   3   6.470   0.108  -5.737
   20   2HG2  THR   3          1HG2      THR   3   8.036  -0.707  -5.736
   21   3HG2  THR   3          3HG2      THR   3   7.093  -0.607  -7.225
   22    H    CYS   4           H        CYS   4   8.180  -1.902  -4.307
   23    HA   CYS   4           HA       CYS   4   8.716  -1.207  -1.709
   24   1HB   CYS   4          2HB       CYS   4  10.859  -0.405  -2.489
   25   2HB   CYS   4          1HB       CYS   4  10.414  -1.853  -3.375
   26    H    ILE   5           H        ILE   5   9.148   0.759  -0.636
   27    HA   ILE   5           HA       ILE   5   7.396   2.926  -1.400
   28    HB   ILE   5           HB       ILE   5   9.341   2.609   0.878
   29   1HG1  ILE   5          2HG1      ILE   5   6.704   2.694   1.806
   30   2HG1  ILE   5          1HG1      ILE   5   6.658   1.652   0.387
   31   1HG2  ILE   5          3HG2      ILE   5   8.584   4.998   0.032
   32   2HG2  ILE   5          2HG2      ILE   5   7.120   4.594   0.931
   33   3HG2  ILE   5          1HG2      ILE   5   8.680   4.622   1.753
   34   1HD1  ILE   5          1HD1      ILE   5   8.931   1.174   2.200
   35   2HD1  ILE   5          3HD1      ILE   5   7.344   0.811   2.883
   36   3HD1  ILE   5          2HD1      ILE   5   7.865   0.022   1.392
   37    HA   PRO   6           HA       PRO   6  10.771   4.776  -3.742
   38   1HB   PRO   6          2HB       PRO   6   9.260   6.727  -4.867
   39   2HB   PRO   6          1HB       PRO   6   9.336   5.068  -5.482
   40   1HG   PRO   6          2HG       PRO   6   7.237   6.372  -3.822
   41   2HG   PRO   6          1HG       PRO   6   7.066   5.194  -5.137
   42   1HD   PRO   6          2HD       PRO   6   6.891   4.536  -2.490
   43   2HD   PRO   6          1HD       PRO   6   7.419   3.402  -3.750
   44    H    SER   7           H        SER   7  11.822   6.832  -3.714
   45    HA   SER   7           HA       SER   7  12.135   8.003  -1.225
   46   1HB   SER   7          2HB       SER   7  13.808   8.290  -2.912
   47   2HB   SER   7          1HB       SER   7  12.674   9.115  -3.976
   48    HG   SER   7           HG       SER   7  12.826  10.902  -2.757
   49    H    GLY   8           H        GLY   8  10.916   9.308  -0.038
   50   1HA   GLY   8          2HA       GLY   8   9.769  11.436   0.188
   51   2HA   GLY   8          1HA       GLY   8   9.024  11.141  -1.382
   52    H    GLN   9           H        GLN   9   8.630   8.269  -0.583
   53    HA   GLN   9           HA       GLN   9   6.055   8.636   0.729
   54   1HB   GLN   9          2HB       GLN   9   7.347   6.508  -0.901
   55   2HB   GLN   9          1HB       GLN   9   6.092   6.022   0.237
   56   1HG   GLN   9          2HG       GLN   9   4.625   7.811  -0.794
   57   2HG   GLN   9          1HG       GLN   9   5.855   7.987  -2.046
   58   1HE2  GLN   9          2HE2      GLN   9   4.009   5.592  -3.813
   59   2HE2  GLN   9          1HE2      GLN   9   4.466   7.252  -3.668
   60    HA   PRO  10           HA       PRO  10   7.339   7.014   4.615
   61   1HB   PRO  10          2HB       PRO  10   5.089   5.793   5.488
   62   2HB   PRO  10          1HB       PRO  10   5.266   7.551   5.386
   63   1HG   PRO  10          2HG       PRO  10   3.758   5.707   3.639
   64   2HG   PRO  10          1HG       PRO  10   3.453   7.409   4.020
   65   1HD   PRO  10          2HD       PRO  10   4.617   6.425   1.669
   66   2HD   PRO  10          1HD       PRO  10   4.617   8.114   2.214
   67    H    CYS  11           H        CYS  11   8.612   5.360   5.126
   68    HA   CYS  11           HA       CYS  11   7.909   2.641   4.201
   69   1HB   CYS  11          2HB       CYS  11  10.244   2.172   3.923
   70   2HB   CYS  11          1HB       CYS  11   9.875   3.647   3.039
   71    HA   PRO  12           HA       PRO  12   8.084   1.634   8.517
   72   1HB   PRO  12          2HB       PRO  12   8.080  -1.064   8.309
   73   2HB   PRO  12          1HB       PRO  12   6.642  -0.066   8.039
   74   1HG   PRO  12          2HG       PRO  12   8.390  -1.428   6.077
   75   2HG   PRO  12          1HG       PRO  12   6.659  -1.061   5.989
   76   1HD   PRO  12          2HD       PRO  12   8.691   0.357   4.707
   77   2HD   PRO  12          1HD       PRO  12   7.031   0.927   4.968
   78    H    TYR  13           H        TYR  13  10.143  -0.447   6.476
   79    HA   TYR  13           HA       TYR  13  12.344  -0.062   8.415
   80   1HB   TYR  13          2HB       TYR  13  12.258  -2.513   6.739
   81   2HB   TYR  13          1HB       TYR  13  12.910  -2.279   8.354
   82    HD1  TYR  13           HD2      TYR  13  10.884  -1.472  10.059
   83    HD2  TYR  13           HD1      TYR  13  10.521  -3.985   6.629
   84    HE1  TYR  13           HE2      TYR  13   8.842  -2.477  11.007
   85    HE2  TYR  13           HE1      TYR  13   8.480  -4.986   7.579
   86    HH   TYR  13           HH       TYR  13   6.971  -4.888   9.210
   87    H    ASN  14           H        ASN  14  14.498  -0.277   7.458
   88    HA   ASN  14           HA       ASN  14  14.753   1.227   5.054
   89   1HB   ASN  14          2HB       ASN  14  16.947  -0.391   6.329
   90   2HB   ASN  14          1HB       ASN  14  17.075   1.113   5.427
   91   1HD2  ASN  14          2HD2      ASN  14  17.488   2.191   8.804
   92   2HD2  ASN  14          1HD2      ASN  14  18.349   1.436   7.520
   93    H    GLU  15           H        GLU  15  14.010  -1.982   5.563
   94    HA   GLU  15           HA       GLU  15  15.402  -3.007   3.203
   95   1HB   GLU  15          2HB       GLU  15  14.806  -4.143   5.612
   96   2HB   GLU  15          1HB       GLU  15  13.486  -4.742   4.609
   97   1HG   GLU  15          2HG       GLU  15  14.853  -6.223   3.635
   98   2HG   GLU  15          1HG       GLU  15  15.957  -4.936   3.151
   99    H    ASN  16           H        ASN  16  12.431  -1.599   4.030
  100    HA   ASN  16           HA       ASN  16  11.027  -2.878   1.780
  101   1HB   ASN  16          2HB       ASN  16  10.091  -2.544   4.235
  102   2HB   ASN  16          1HB       ASN  16   9.675  -0.950   3.605
  103   1HD2  ASN  16          2HD2      ASN  16   6.694  -2.447   2.530
  104   2HD2  ASN  16          1HD2      ASN  16   7.456  -1.377   3.651
  105    H    CYS  17           H        CYS  17  13.104  -0.529   1.937
  106    HA   CYS  17           HA       CYS  17  11.547   1.565   0.605
  107   1HB   CYS  17          2HB       CYS  17  13.945   1.488   2.179
  108   2HB   CYS  17          1HB       CYS  17  14.289   2.215   0.617
  109    H    CYS  18           H        CYS  18  11.962   2.263  -1.497
  110    HA   CYS  18           HA       CYS  18  12.603   0.299  -3.401
  111   1HB   CYS  18          2HB       CYS  18  12.396   3.299  -3.549
  112   2HB   CYS  18          1HB       CYS  18  12.749   2.311  -4.955
  113    H    SER  19           H        SER  19  14.453   2.876  -1.916
  114    HA   SER  19           HA       SER  19  16.859   2.164  -3.395
  115   1HB   SER  19          2HB       SER  19  17.700   4.216  -2.795
  116   2HB   SER  19          1HB       SER  19  15.977   4.574  -2.774
  117    HG   SER  19           HG       SER  19  17.104   5.260  -0.845
  118    H    GLN  20           H        GLN  20  15.278   1.218  -0.625
  119    HA   GLN  20           HA       GLN  20  15.905  -0.245   1.034
  120   1HB   GLN  20          2HB       GLN  20  17.998  -0.474  -0.815
  121   2HB   GLN  20          1HB       GLN  20  18.761  -0.219   0.752
  122   1HG   GLN  20          2HG       GLN  20  18.370  -2.623   0.244
  123   2HG   GLN  20          1HG       GLN  20  17.542  -2.084   1.706
  124   1HE2  GLN  20          2HE2      GLN  20  15.463  -3.450  -1.483
  125   2HE2  GLN  20          1HE2      GLN  20  17.186  -3.334  -1.467
  126    H    SER  21           H        SER  21  16.580   2.907   0.755
  127    HA   SER  21           HA       SER  21  17.927   3.086   3.377
  128   1HB   SER  21          2HB       SER  21  18.001   4.767   0.923
  129   2HB   SER  21          1HB       SER  21  18.150   5.573   2.477
  130    HG   SER  21           HG       SER  21  20.161   4.751   1.409
  131    H    CYS  22           H        CYS  22  16.606   3.534   5.007
  132    HA   CYS  22           HA       CYS  22  14.179   5.137   4.496
  133   1HB   CYS  22          2HB       CYS  22  14.760   2.836   6.298
  134   2HB   CYS  22          1HB       CYS  22  13.588   4.032   6.821
  135    H    THR  23           H        THR  23  13.754   6.882   5.813
  136    HA   THR  23           HA       THR  23  15.703   7.536   7.924
  137    HB   THR  23           HB       THR  23  16.561   8.804   6.163
  138    HG1  THR  23           HG1      THR  23  16.429  10.426   7.498
  139   1HG2  THR  23          2HG2      THR  23  13.715   9.436   5.370
  140   2HG2  THR  23          1HG2      THR  23  15.154  10.107   4.599
  141   3HG2  THR  23          3HG2      THR  23  14.835   8.372   4.515
  142    H    PHE  24           H        PHE  24  14.856   9.670   9.050
  143    HA   PHE  24           HA       PHE  24  11.952   9.341   9.500
  144   1HB   PHE  24          2HB       PHE  24  14.187   9.296  11.317
  145   2HB   PHE  24          1HB       PHE  24  13.094  10.608  11.727
  146    HD1  PHE  24           HD1      PHE  24  10.577   9.996  11.883
  147    HD2  PHE  24           HD2      PHE  24  13.749   7.145  12.044
  148    HE1  PHE  24           HE1      PHE  24   9.074   8.388  12.992
  149    HE2  PHE  24           HE2      PHE  24  12.247   5.536  13.153
  150    HZ   PHE  24           HZ       PHE  24   9.910   6.158  13.627
  151    H    LYS  25           H        LYS  25  10.803  11.040   8.851
  152    HA   LYS  25           HA       LYS  25  12.058  13.716   8.915
  153   1HB   LYS  25          2HB       LYS  25  11.263  12.406   6.663
  154   2HB   LYS  25          1HB       LYS  25   9.804  13.308   7.066
  155   1HG   LYS  25          2HG       LYS  25  12.462  14.693   7.091
  156   2HG   LYS  25          1HG       LYS  25  11.645  14.403   5.558
  157   1HD   LYS  25          2HD       LYS  25  10.201  16.076   5.925
  158   2HD   LYS  25          1HD       LYS  25   9.812  15.466   7.532
  159   1HE   LYS  25          2HE       LYS  25  10.717  17.635   7.860
  160   2HE   LYS  25          1HE       LYS  25  11.989  16.507   8.318
  161   1HZ   LYS  25          3HZ       LYS  25  12.209  17.055   5.578
  162   2HZ   LYS  25          2HZ       LYS  25  12.085  18.533   6.406
  163   3HZ   LYS  25          1HZ       LYS  25  13.304  17.424   6.819
  164    H    GLU  26           H        GLU  26  10.689  15.469   9.471
  165    HA   GLU  26           HA       GLU  26   8.555  14.711  11.286
  166   1HB   GLU  26          2HB       GLU  26  10.365  16.367  11.878
  167   2HB   GLU  26          1HB       GLU  26   9.608  17.477  10.739
  168   1HG   GLU  26          2HG       GLU  26   7.474  17.240  12.027
  169   2HG   GLU  26          1HG       GLU  26   8.354  16.283  13.219
  170    H    ASN  27           H        ASN  27   6.439  15.215  11.052
  171    HA   ASN  27           HA       ASN  27   5.564  16.095   8.405
  172   1HB   ASN  27          2HB       ASN  27   3.429  15.444  10.251
  173   2HB   ASN  27          1HB       ASN  27   3.830  14.712   8.704
  174   1HD2  ASN  27          2HD2      ASN  27   4.327  12.534  11.890
  175   2HD2  ASN  27          1HD2      ASN  27   3.197  13.814  11.635
  176    H    GLU  28           H        GLU  28   3.183  17.208   8.833
  177    HA   GLU  28           HA       GLU  28   3.860  19.757  10.054
  178   1HB   GLU  28          2HB       GLU  28   2.757  19.400   7.732
  179   2HB   GLU  28          1HB       GLU  28   1.278  19.161   8.657
  180   1HG   GLU  28          2HG       GLU  28   2.863  21.532   9.417
  181   2HG   GLU  28          1HG       GLU  28   2.161  21.584   7.800
  182    H    ASN  29           H        ASN  29   2.143  16.912  10.769
  183    HA   ASN  29           HA       ASN  29   0.126  17.995  12.474
  184   1HB   ASN  29          2HB       ASN  29   0.347  15.628  11.364
  185   2HB   ASN  29          1HB       ASN  29   1.237  15.241  12.837
  186   1HD2  ASN  29          2HD2      ASN  29  -1.792  14.503  14.373
  187   2HD2  ASN  29          1HD2      ASN  29  -0.216  13.989  13.889
  188    H    GLY  30           H        GLY  30   3.476  17.654  12.778
  189   1HA   GLY  30          2HA       GLY  30   4.714  18.590  14.560
  190   2HA   GLY  30          1HA       GLY  30   3.331  18.324  15.617
  191    H    ASN  31           H        ASN  31   4.042  15.718  13.562
  192    HA   ASN  31           HA       ASN  31   5.355  14.265  15.778
  193   1HB   ASN  31          2HB       ASN  31   3.230  13.521  13.831
  194   2HB   ASN  31          1HB       ASN  31   4.382  12.273  14.299
  195   1HD2  ASN  31          2HD2      ASN  31   1.999  11.727  16.865
  196   2HD2  ASN  31          1HD2      ASN  31   2.502  11.245  15.285
  197    H    THR  32           H        THR  32   6.304  12.089  14.551
  198    HA   THR  32           HA       THR  32   7.835  12.956  12.205
  199    HB   THR  32           HB       THR  32   9.038  13.292  14.522
  200    HG1  THR  32           HG1      THR  32  10.220  13.701  12.766
  201   1HG2  THR  32          3HG2      THR  32   8.636  10.948  15.263
  202   2HG2  THR  32          2HG2      THR  32   9.671  10.395  13.944
  203   3HG2  THR  32          1HG2      THR  32  10.344  11.392  15.235
  204    H    VAL  33           H        VAL  33   7.789  11.440  10.700
  205    HA   VAL  33           HA       VAL  33   7.331   8.636  11.516
  206    HB   VAL  33           HB       VAL  33   6.591   9.590   8.798
  207   1HG1  VAL  33          1HG1      VAL  33   6.096   7.315  10.517
  208   2HG1  VAL  33          3HG1      VAL  33   4.591   7.992   9.892
  209   3HG1  VAL  33          2HG1      VAL  33   5.860   7.484   8.775
  210   1HG2  VAL  33          1HG2      VAL  33   5.408  10.607  11.281
  211   2HG2  VAL  33          3HG2      VAL  33   5.279  11.218   9.631
  212   3HG2  VAL  33          2HG2      VAL  33   4.235   9.900  10.168
  213    H    LYS  34           H        LYS  34   7.857   7.330   9.230
  214    HA   LYS  34           HA       LYS  34  10.648   8.083   8.616
  215   1HB   LYS  34          2HB       LYS  34   9.355   5.493   9.275
  216   2HB   LYS  34          1HB       LYS  34  10.620   5.469   8.049
  217   1HG   LYS  34          2HG       LYS  34  12.244   6.280   9.541
  218   2HG   LYS  34          1HG       LYS  34  11.032   6.859  10.681
  219   1HD   LYS  34          2HD       LYS  34  10.803   4.829  11.666
  220   2HD   LYS  34          1HD       LYS  34  10.942   3.963  10.138
  221   1HE   LYS  34          2HE       LYS  34  13.358   5.296  11.301
  222   2HE   LYS  34          1HE       LYS  34  12.825   3.749  11.953
  223   1HZ   LYS  34          1HZ       LYS  34  12.840   2.947   9.582
  224   2HZ   LYS  34          3HZ       LYS  34  13.675   4.369   9.188
  225   3HZ   LYS  34          2HZ       LYS  34  14.361   3.256  10.274
  226    H    ARG  35           H        ARG  35  11.105   8.458   6.541
  227    HA   ARG  35           HA       ARG  35   9.164   7.605   4.484
  228   1HB   ARG  35          2HB       ARG  35  10.844  10.094   4.720
  229   2HB   ARG  35          1HB       ARG  35  10.132   9.585   3.190
  230   1HG   ARG  35          2HG       ARG  35   7.981  10.013   3.888
  231   2HG   ARG  35          1HG       ARG  35   8.361   9.728   5.585
  232   1HD   ARG  35          2HD       ARG  35   9.737  11.876   5.483
  233   2HD   ARG  35          1HD       ARG  35   8.962  12.176   3.928
  234    HE   ARG  35           HE       ARG  35   6.990  11.601   5.874
  235   1HH1  ARG  35          1HH2      ARG  35   9.264  14.045   4.883
  236   2HH1  ARG  35          2HH2      ARG  35   8.350  15.356   5.552
  237   1HH2  ARG  35          2HH1      ARG  35   5.786  13.323   6.783
  238   2HH2  ARG  35          1HH1      ARG  35   6.373  14.945   6.632
  239    H    CYS  36           H        CYS  36  10.594   8.053   2.230
  240    HA   CYS  36           HA       CYS  36  12.837   6.154   2.500
  241   1HB   CYS  36          2HB       CYS  36  10.686   5.721   1.055
  242   2HB   CYS  36          1HB       CYS  36  11.515   6.738  -0.107
  243    H    ASP  37           HN       ASP  37  14.802   6.905   2.178
  244    HA   ASP  37           HA       ASP  37  15.587   9.472   1.753
  245   1HB   ASP  37          2HB       ASP  37  16.850   6.828   1.253
  246   2HB   ASP  37          1HB       ASP  37  17.643   8.249   0.575
   
  No H/Q in entry =         246
  Start of MODEL   13
    1   1H    SER   1          2H        SER   1   1.002  -5.006  -6.398
    2   2H    SER   1          1H        SER   1  -0.672  -4.758  -6.248
    3   3H    SER   1          3H        SER   1  -0.063  -5.675  -7.539
    4    HA   SER   1           HA       SER   1   0.401  -3.908  -8.773
    5   1HB   SER   1          2HB       SER   1  -1.817  -3.374  -7.163
    6   2HB   SER   1          1HB       SER   1  -0.866  -1.893  -7.123
    7    HG   SER   1           HG       SER   1  -1.866  -1.596  -8.995
    8    HA   PRO   2           HA       PRO   2   2.722  -0.807  -5.958
    9   1HB   PRO   2          2HB       PRO   2   2.724  -1.209  -3.282
   10   2HB   PRO   2          1HB       PRO   2   1.481  -0.270  -4.124
   11   1HG   PRO   2          2HG       PRO   2   1.343  -3.006  -3.010
   12   2HG   PRO   2          1HG       PRO   2   0.066  -1.793  -3.192
   13   1HD   PRO   2          2HD       PRO   2   0.471  -4.001  -4.852
   14   2HD   PRO   2          1HD       PRO   2  -0.526  -2.584  -5.230
   15    H    THR   3           H        THR   3   4.775  -0.821  -4.637
   16    HA   THR   3           HA       THR   3   5.984  -3.417  -4.145
   17    HB   THR   3           HB       THR   3   6.225  -2.810  -6.635
   18    HG1  THR   3           HG1      THR   3   7.595  -4.352  -6.185
   19   1HG2  THR   3          3HG2      THR   3   6.974  -0.399  -5.831
   20   2HG2  THR   3          2HG2      THR   3   8.564  -1.166  -5.805
   21   3HG2  THR   3          1HG2      THR   3   7.628  -1.127  -7.300
   22    H    CYS   4           H        CYS   4   8.681  -2.296  -4.279
   23    HA   CYS   4           HA       CYS   4   9.118  -1.482  -1.713
   24   1HB   CYS   4          2HB       CYS   4  11.226  -0.570  -2.465
   25   2HB   CYS   4          1HB       CYS   4  10.885  -2.059  -3.329
   26    H    ILE   5           H        ILE   5   9.414   0.522  -0.673
   27    HA   ILE   5           HA       ILE   5   7.557   2.574  -1.513
   28    HB   ILE   5           HB       ILE   5   9.461   2.376   0.815
   29   1HG1  ILE   5          2HG1      ILE   5   6.856   2.383   1.745
   30   2HG1  ILE   5          1HG1      ILE   5   6.766   1.400   0.285
   31   1HG2  ILE   5          1HG2      ILE   5   8.438   4.711  -0.180
   32   2HG2  ILE   5          3HG2      ILE   5   7.221   4.257   1.014
   33   3HG2  ILE   5          2HG2      ILE   5   8.908   4.442   1.500
   34   1HD1  ILE   5          2HD1      ILE   5   8.966   0.930   2.270
   35   2HD1  ILE   5          1HD1      ILE   5   7.358   0.262   2.561
   36   3HD1  ILE   5          3HD1      ILE   5   8.252  -0.193   1.109
   37    HA   PRO   6           HA       PRO   6  10.896   4.541  -3.833
   38   1HB   PRO   6          2HB       PRO   6   9.319   6.391  -5.035
   39   2HB   PRO   6          1HB       PRO   6   9.487   4.724  -5.610
   40   1HG   PRO   6          2HG       PRO   6   7.299   5.957  -4.004
   41   2HG   PRO   6          1HG       PRO   6   7.201   4.767  -5.316
   42   1HD   PRO   6          2HD       PRO   6   6.996   4.093  -2.688
   43   2HD   PRO   6          1HD       PRO   6   7.646   2.997  -3.924
   44    H    SER   7           H        SER   7  11.850   6.633  -3.832
   45    HA   SER   7           HA       SER   7  12.061   7.901  -1.382
   46   1HB   SER   7          2HB       SER   7  13.772   8.284  -2.952
   47   2HB   SER   7          1HB       SER   7  12.637   8.841  -4.178
   48    HG   SER   7           HG       SER   7  13.269  10.157  -1.723
   49    H    GLY   8           H        GLY   8  10.803   9.236  -0.261
   50   1HA   GLY   8          2HA       GLY   8   9.532  11.285  -0.113
   51   2HA   GLY   8          1HA       GLY   8   8.835  10.914  -1.689
   52    H    GLN   9           H        GLN   9   8.526   8.057  -0.857
   53    HA   GLN   9           HA       GLN   9   5.925   8.349   0.424
   54   1HB   GLN   9          2HB       GLN   9   7.067   6.593  -1.497
   55   2HB   GLN   9          1HB       GLN   9   6.578   5.627  -0.108
   56   1HG   GLN   9          2HG       GLN   9   4.507   5.681  -0.981
   57   2HG   GLN   9          1HG       GLN   9   4.451   7.367  -0.463
   58   1HE2  GLN   9          2HE2      GLN   9   4.870   6.395  -4.395
   59   2HE2  GLN   9          1HE2      GLN   9   4.974   5.206  -3.145
   60    HA   PRO  10           HA       PRO  10   7.230   6.863   4.360
   61   1HB   PRO  10          2HB       PRO  10   4.995   5.622   5.244
   62   2HB   PRO  10          1HB       PRO  10   5.146   7.381   5.116
   63   1HG   PRO  10          2HG       PRO  10   3.694   5.480   3.372
   64   2HG   PRO  10          1HG       PRO  10   3.328   7.170   3.758
   65   1HD   PRO  10          2HD       PRO  10   4.508   6.263   1.402
   66   2HD   PRO  10          1HD       PRO  10   4.517   7.938   1.988
   67    H    CYS  11           H        CYS  11   8.485   5.223   4.963
   68    HA   CYS  11           HA       CYS  11   7.876   2.501   3.980
   69   1HB   CYS  11          2HB       CYS  11  10.244   2.070   3.898
   70   2HB   CYS  11          1HB       CYS  11   9.898   3.519   2.965
   71    HA   PRO  12           HA       PRO  12   7.772   1.385   8.264
   72   1HB   PRO  12          2HB       PRO  12   7.937  -1.304   8.007
   73   2HB   PRO  12          1HB       PRO  12   6.476  -0.379   7.630
   74   1HG   PRO  12          2HG       PRO  12   8.457  -1.600   5.805
   75   2HG   PRO  12          1HG       PRO  12   6.724  -1.321   5.571
   76   1HD   PRO  12          2HD       PRO  12   8.787   0.229   4.504
   77   2HD   PRO  12          1HD       PRO  12   7.081   0.703   4.619
   78    H    TYR  13           H        TYR  13  10.171  -0.374   6.302
   79    HA   TYR  13           HA       TYR  13  12.168   0.076   8.431
   80   1HB   TYR  13          2HB       TYR  13  12.328  -2.423   6.834
   81   2HB   TYR  13          1HB       TYR  13  12.844  -2.109   8.484
   82    HD1  TYR  13           HD1      TYR  13  11.258  -2.255  10.331
   83    HD2  TYR  13           HD2      TYR  13  10.083  -3.095   6.317
   84    HE1  TYR  13           HE1      TYR  13   9.205  -3.342  11.158
   85    HE2  TYR  13           HE2      TYR  13   8.032  -4.180   7.146
   86    HH   TYR  13           HH       TYR  13   7.567  -4.986  10.415
   87    H    ASN  14           H        ASN  14  14.400  -0.093   7.628
   88    HA   ASN  14           HA       ASN  14  14.756   1.359   5.202
   89   1HB   ASN  14          2HB       ASN  14  16.927  -0.114   6.675
   90   2HB   ASN  14          1HB       ASN  14  17.046   1.370   5.740
   91   1HD2  ASN  14          2HD2      ASN  14  17.171   2.558   9.103
   92   2HD2  ASN  14          1HD2      ASN  14  18.153   1.813   7.904
   93    H    GLU  15           H        GLU  15  14.089  -1.851   5.744
   94    HA   GLU  15           HA       GLU  15  15.684  -2.866   3.503
   95   1HB   GLU  15          2HB       GLU  15  14.971  -3.955   5.939
   96   2HB   GLU  15          1HB       GLU  15  13.857  -4.728   4.814
   97   1HG   GLU  15          2HG       GLU  15  15.568  -5.746   3.612
   98   2HG   GLU  15          1HG       GLU  15  16.770  -4.562   4.128
   99    H    ASN  16           H        ASN  16  12.630  -1.567   4.101
  100    HA   ASN  16           HA       ASN  16  11.417  -3.022   1.838
  101   1HB   ASN  16          2HB       ASN  16  10.343  -2.747   4.244
  102   2HB   ASN  16          1HB       ASN  16   9.827  -1.199   3.575
  103   1HD2  ASN  16          2HD2      ASN  16   7.034  -2.949   2.386
  104   2HD2  ASN  16          1HD2      ASN  16   7.651  -1.810   3.528
  105    H    CYS  17           H        CYS  17  13.314  -0.568   1.972
  106    HA   CYS  17           HA       CYS  17  11.638   1.392   0.566
  107   1HB   CYS  17          2HB       CYS  17  13.940   1.553   2.266
  108   2HB   CYS  17          1HB       CYS  17  14.314   2.274   0.708
  109    H    CYS  18           H        CYS  18  12.108   2.103  -1.523
  110    HA   CYS  18           HA       CYS  18  12.981   0.176  -3.362
  111   1HB   CYS  18          2HB       CYS  18  12.638   3.162  -3.573
  112   2HB   CYS  18          1HB       CYS  18  13.061   2.150  -4.941
  113    H    SER  19           H        SER  19  14.597   2.890  -1.837
  114    HA   SER  19           HA       SER  19  17.104   2.321  -3.198
  115   1HB   SER  19          2HB       SER  19  17.801   4.412  -2.544
  116   2HB   SER  19          1HB       SER  19  16.062   4.667  -2.612
  117    HG   SER  19           HG       SER  19  15.991   4.767  -0.462
  118    H    GLN  20           H        GLN  20  15.470   1.353  -0.433
  119    HA   GLN  20           HA       GLN  20  16.101  -0.074   1.257
  120   1HB   GLN  20          2HB       GLN  20  18.193  -0.330  -0.588
  121   2HB   GLN  20          1HB       GLN  20  18.956  -0.045   0.972
  122   1HG   GLN  20          2HG       GLN  20  18.531  -2.468   0.441
  123   2HG   GLN  20          1HG       GLN  20  17.824  -1.913   1.959
  124   1HE2  GLN  20          2HE2      GLN  20  15.478  -3.157  -1.114
  125   2HE2  GLN  20          1HE2      GLN  20  17.194  -3.008  -1.264
  126    H    SER  21           H        SER  21  16.694   3.067   0.977
  127    HA   SER  21           HA       SER  21  18.039   3.281   3.599
  128   1HB   SER  21          2HB       SER  21  18.193   4.913   1.113
  129   2HB   SER  21          1HB       SER  21  18.335   5.740   2.657
  130    HG   SER  21           HG       SER  21  19.824   3.442   2.538
  131    H    CYS  22           H        CYS  22  16.436   3.475   5.074
  132    HA   CYS  22           HA       CYS  22  14.136   5.205   4.468
  133   1HB   CYS  22          2HB       CYS  22  14.640   2.983   6.392
  134   2HB   CYS  22          1HB       CYS  22  13.428   4.190   6.788
  135    H    THR  23           H        THR  23  13.661   6.998   5.679
  136    HA   THR  23           HA       THR  23  15.551   7.750   7.816
  137    HB   THR  23           HB       THR  23  16.375   9.085   6.135
  138    HG1  THR  23           HG1      THR  23  15.976  10.782   7.299
  139   1HG2  THR  23          1HG2      THR  23  13.556   9.247   5.079
  140   2HG2  THR  23          3HG2      THR  23  14.884  10.221   4.447
  141   3HG2  THR  23          2HG2      THR  23  14.949   8.462   4.331
  142    H    PHE  24           H        PHE  24  14.639   9.824   8.933
  143    HA   PHE  24           HA       PHE  24  11.740   9.436   9.376
  144   1HB   PHE  24          2HB       PHE  24  13.949   9.326  11.194
  145   2HB   PHE  24          1HB       PHE  24  12.920  10.685  11.620
  146    HD1  PHE  24           HD2      PHE  24  10.333  10.128  11.641
  147    HD2  PHE  24           HD1      PHE  24  13.462   7.253  12.058
  148    HE1  PHE  24           HE2      PHE  24   8.765   8.581  12.744
  149    HE2  PHE  24           HE1      PHE  24  11.894   5.708  13.165
  150    HZ   PHE  24           HZ       PHE  24   9.544   6.371  13.507
  151    H    LYS  25           H        LYS  25  10.651  11.110   8.566
  152    HA   LYS  25           HA       LYS  25  11.891  13.786   8.599
  153   1HB   LYS  25          2HB       LYS  25  11.114  12.767   6.410
  154   2HB   LYS  25          1HB       LYS  25   9.469  12.930   7.021
  155   1HG   LYS  25          2HG       LYS  25   9.554  15.260   6.997
  156   2HG   LYS  25          1HG       LYS  25  11.315  15.294   7.025
  157   1HD   LYS  25          2HD       LYS  25  10.539  13.910   4.675
  158   2HD   LYS  25          1HD       LYS  25   9.556  15.369   4.768
  159   1HE   LYS  25          2HE       LYS  25  12.567  15.310   5.027
  160   2HE   LYS  25          1HE       LYS  25  11.701  15.697   3.543
  161   1HZ   LYS  25          1HZ       LYS  25  11.375  17.181   6.090
  162   2HZ   LYS  25          3HZ       LYS  25  12.419  17.656   4.843
  163   3HZ   LYS  25          2HZ       LYS  25  10.743  17.600   4.571
  164    H    GLU  26           H        GLU  26  10.592  15.595   9.225
  165    HA   GLU  26           HA       GLU  26   8.647  14.905  11.291
  166   1HB   GLU  26          2HB       GLU  26  10.748  16.472  11.546
  167   2HB   GLU  26          1HB       GLU  26   9.653  17.677  10.875
  168   1HG   GLU  26          2HG       GLU  26   8.873  17.970  12.959
  169   2HG   GLU  26          1HG       GLU  26   8.139  16.372  12.820
  170    H    ASN  27           H        ASN  27   6.569  15.607  11.271
  171    HA   ASN  27           HA       ASN  27   5.592  16.780   8.765
  172   1HB   ASN  27          2HB       ASN  27   3.492  16.037  10.577
  173   2HB   ASN  27          1HB       ASN  27   3.864  15.385   8.986
  174   1HD2  ASN  27          2HD2      ASN  27   4.269  12.982  12.012
  175   2HD2  ASN  27          1HD2      ASN  27   3.175  14.305  11.828
  176    H    GLU  28           H        GLU  28   3.341  17.988   9.394
  177    HA   GLU  28           HA       GLU  28   4.205  20.303  10.923
  178   1HB   GLU  28          2HB       GLU  28   3.156  20.534   8.665
  179   2HB   GLU  28          1HB       GLU  28   1.657  19.916   9.354
  180   1HG   GLU  28          2HG       GLU  28   2.769  22.086  10.944
  181   2HG   GLU  28          1HG       GLU  28   2.461  22.577   9.278
  182    H    ASN  29           H        ASN  29   2.273  17.519  11.270
  183    HA   ASN  29           HA       ASN  29   0.374  18.477  13.165
  184   1HB   ASN  29          2HB       ASN  29   0.404  16.277  11.758
  185   2HB   ASN  29          1HB       ASN  29   1.334  15.640  13.115
  186   1HD2  ASN  29          2HD2      ASN  29  -1.702  14.826  14.620
  187   2HD2  ASN  29          1HD2      ASN  29  -0.205  14.288  13.944
  188    H    GLY  30           H        GLY  30   3.701  17.904  13.342
  189   1HA   GLY  30          2HA       GLY  30   5.038  18.504  15.187
  190   2HA   GLY  30          1HA       GLY  30   3.653  18.231  16.239
  191    H    ASN  31           H        ASN  31   4.196  15.849  13.856
  192    HA   ASN  31           HA       ASN  31   5.379  14.044  15.877
  193   1HB   ASN  31          2HB       ASN  31   3.212  13.682  13.863
  194   2HB   ASN  31          1HB       ASN  31   4.252  12.309  14.221
  195   1HD2  ASN  31          2HD2      ASN  31   1.688  11.808  16.660
  196   2HD2  ASN  31          1HD2      ASN  31   2.105  11.489  15.013
  197    H    THR  32           H        THR  32   6.238  11.996  14.498
  198    HA   THR  32           HA       THR  32   7.754  12.945  12.175
  199    HB   THR  32           HB       THR  32   9.038  13.147  14.425
  200    HG1  THR  32           HG1      THR  32  10.177  13.428  12.589
  201   1HG2  THR  32          1HG2      THR  32   8.499  10.912  15.272
  202   2HG2  THR  32          3HG2      THR  32   9.310  10.185  13.883
  203   3HG2  THR  32          2HG2      THR  32  10.242  11.108  15.064
  204    H    VAL  33           H        VAL  33   7.768  11.492  10.593
  205    HA   VAL  33           HA       VAL  33   7.130   8.681  11.255
  206    HB   VAL  33           HB       VAL  33   6.511   9.782   8.566
  207   1HG1  VAL  33          2HG1      VAL  33   5.744   7.525  10.267
  208   2HG1  VAL  33          1HG1      VAL  33   4.393   8.275   9.414
  209   3HG1  VAL  33          3HG1      VAL  33   5.778   7.662   8.507
  210   1HG2  VAL  33          2HG2      VAL  33   5.068  10.519  11.090
  211   2HG2  VAL  33          1HG2      VAL  33   5.484  11.531   9.705
  212   3HG2  VAL  33          3HG2      VAL  33   4.179  10.351   9.575
  213    H    LYS  34           H        LYS  34   7.726   7.324   9.128
  214    HA   LYS  34           HA       LYS  34  10.509   8.069   8.469
  215   1HB   LYS  34          2HB       LYS  34   9.232   5.509   9.241
  216   2HB   LYS  34          1HB       LYS  34  10.469   5.429   7.989
  217   1HG   LYS  34          2HG       LYS  34  12.112   6.372   9.413
  218   2HG   LYS  34          1HG       LYS  34  10.904   6.891  10.584
  219   1HD   LYS  34          2HD       LYS  34  10.797   4.853  11.571
  220   2HD   LYS  34          1HD       LYS  34  10.943   3.994  10.040
  221   1HE   LYS  34          2HE       LYS  34  13.190   3.814  10.212
  222   2HE   LYS  34          1HE       LYS  34  13.370   5.436  10.875
  223   1HZ   LYS  34          2HZ       LYS  34  12.049   3.678  12.690
  224   2HZ   LYS  34          1HZ       LYS  34  13.579   3.085  12.248
  225   3HZ   LYS  34          3HZ       LYS  34  13.435   4.633  12.925
  226    H    ARG  35           H        ARG  35  10.889   8.504   6.407
  227    HA   ARG  35           HA       ARG  35   9.012   7.496   4.359
  228   1HB   ARG  35          2HB       ARG  35  10.540  10.077   4.583
  229   2HB   ARG  35          1HB       ARG  35   9.925   9.503   3.036
  230   1HG   ARG  35          2HG       ARG  35   7.702   9.722   3.689
  231   2HG   ARG  35          1HG       ARG  35   8.095   9.651   5.404
  232   1HD   ARG  35          2HD       ARG  35   9.016  11.878   5.350
  233   2HD   ARG  35          1HD       ARG  35   8.874  11.942   3.595
  234    HE   ARG  35           HE       ARG  35   6.345  11.465   4.828
  235   1HH1  ARG  35          1HH2      ARG  35   8.689  13.876   3.939
  236   2HH1  ARG  35          2HH2      ARG  35   7.562  15.188   4.000
  237   1HH2  ARG  35          2HH1      ARG  35   4.860  13.203   4.991
  238   2HH2  ARG  35          1HH1      ARG  35   5.385  14.806   4.599
  239    H    CYS  36           H        CYS  36  10.423   7.971   2.101
  240    HA   CYS  36           HA       CYS  36  12.757   6.197   2.421
  241   1HB   CYS  36          2HB       CYS  36  10.635   5.664   0.940
  242   2HB   CYS  36          1HB       CYS  36  11.477   6.670  -0.223
  243    H    ASP  37           HN       ASP  37  14.695   6.745   1.598
  244    HA   ASP  37           HA       ASP  37  15.274   9.504   1.186
  245   1HB   ASP  37          2HB       ASP  37  16.806   6.957   1.274
  246   2HB   ASP  37          1HB       ASP  37  17.561   8.329   0.463
   
  No H/Q in entry =         246
  Start of MODEL   14
    1   1H    SER   1          2H        SER   1   9.916  -2.366 -10.369
    2   2H    SER   1          1H        SER   1   9.289  -3.495 -11.473
    3   3H    SER   1          3H        SER   1   8.504  -2.010 -11.244
    4    HA   SER   1           HA       SER   1   7.311  -3.758 -10.123
    5   1HB   SER   1          2HB       SER   1   9.123  -5.304  -9.712
    6   2HB   SER   1          1HB       SER   1   9.932  -4.141  -8.668
    7    HG   SER   1           HG       SER   1   8.688  -5.734  -7.503
    8    HA   PRO   2           HA       PRO   2   6.880  -0.029  -7.607
    9   1HB   PRO   2          2HB       PRO   2   4.194   0.151  -7.859
   10   2HB   PRO   2          1HB       PRO   2   5.327   0.741  -9.084
   11   1HG   PRO   2          2HG       PRO   2   3.600  -1.643  -9.121
   12   2HG   PRO   2          1HG       PRO   2   4.261  -0.704 -10.468
   13   1HD   PRO   2          2HD       PRO   2   5.213  -3.182  -9.490
   14   2HD   PRO   2          1HD       PRO   2   5.988  -2.139 -10.698
   15    H    THR   3           H        THR   3   7.384  -2.298  -6.210
   16    HA   THR   3           HA       THR   3   5.087  -2.691  -4.409
   17    HB   THR   3           HB       THR   3   6.389  -4.623  -5.568
   18    HG1  THR   3           HG1      THR   3   5.064  -5.457  -4.161
   19   1HG2  THR   3          1HG2      THR   3   8.205  -4.023  -3.230
   20   2HG2  THR   3          3HG2      THR   3   8.261  -5.482  -4.221
   21   3HG2  THR   3          2HG2      THR   3   8.634  -3.913  -4.939
   22    H    CYS   4           H        CYS   4   8.585  -2.128  -4.387
   23    HA   CYS   4           HA       CYS   4   8.793  -1.627  -1.603
   24   1HB   CYS   4          2HB       CYS   4  10.995  -0.725  -2.155
   25   2HB   CYS   4          1HB       CYS   4  10.716  -2.258  -2.962
   26    H    ILE   5           H        ILE   5   9.298   0.438  -0.609
   27    HA   ILE   5           HA       ILE   5   7.476   2.512  -1.469
   28    HB   ILE   5           HB       ILE   5   9.437   2.361   0.815
   29   1HG1  ILE   5          2HG1      ILE   5   6.859   2.385   1.818
   30   2HG1  ILE   5          1HG1      ILE   5   6.732   1.362   0.390
   31   1HG2  ILE   5          2HG2      ILE   5   8.533   4.675  -0.169
   32   2HG2  ILE   5          1HG2      ILE   5   7.160   4.261   0.860
   33   3HG2  ILE   5          3HG2      ILE   5   8.774   4.406   1.559
   34   1HD1  ILE   5          2HD1      ILE   5   9.002   0.945   2.299
   35   2HD1  ILE   5          1HD1      ILE   5   7.404   0.312   2.698
   36   3HD1  ILE   5          3HD1      ILE   5   8.219  -0.214   1.223
   37    HA   PRO   6           HA       PRO   6  10.821   4.330  -3.904
   38   1HB   PRO   6          2HB       PRO   6   9.261   6.169  -5.149
   39   2HB   PRO   6          1HB       PRO   6   9.389   4.481  -5.669
   40   1HG   PRO   6          2HG       PRO   6   7.249   5.810  -4.078
   41   2HG   PRO   6          1HG       PRO   6   7.110   4.579  -5.346
   42   1HD   PRO   6          2HD       PRO   6   6.929   4.005  -2.690
   43   2HD   PRO   6          1HD       PRO   6   7.533   2.850  -3.897
   44    H    SER   7           H        SER   7  11.785   6.445  -4.002
   45    HA   SER   7           HA       SER   7  12.071   7.754  -1.582
   46   1HB   SER   7          2HB       SER   7  13.737   8.106  -3.207
   47   2HB   SER   7          1HB       SER   7  12.569   8.642  -4.410
   48    HG   SER   7           HG       SER   7  13.954  10.210  -2.952
   49    H    GLY   8           H        GLY   8  10.930   9.213  -0.472
   50   1HA   GLY   8          2HA       GLY   8   9.629  11.203  -0.273
   51   2HA   GLY   8          1HA       GLY   8   8.939  10.879  -1.862
   52    H    GLN   9           H        GLN   9   8.646   7.984  -0.979
   53    HA   GLN   9           HA       GLN   9   5.992   8.289   0.188
   54   1HB   GLN   9          2HB       GLN   9   7.399   6.278  -1.424
   55   2HB   GLN   9          1HB       GLN   9   6.360   5.602  -0.171
   56   1HG   GLN   9          2HG       GLN   9   4.883   5.810  -1.952
   57   2HG   GLN   9          1HG       GLN   9   4.608   7.321  -1.083
   58   1HE2  GLN   9          2HE2      GLN   9   4.991   8.283  -4.583
   59   2HE2  GLN   9          1HE2      GLN   9   3.862   7.441  -3.581
   60    HA   PRO  10           HA       PRO  10   7.173   6.971   4.221
   61   1HB   PRO  10          2HB       PRO  10   4.909   5.763   5.082
   62   2HB   PRO  10          1HB       PRO  10   5.068   7.517   4.891
   63   1HG   PRO  10          2HG       PRO  10   3.669   5.551   3.175
   64   2HG   PRO  10          1HG       PRO  10   3.292   7.253   3.486
   65   1HD   PRO  10          2HD       PRO  10   4.542   6.262   1.203
   66   2HD   PRO  10          1HD       PRO  10   4.539   7.957   1.729
   67    H    CYS  11           H        CYS  11   8.423   5.358   4.907
   68    HA   CYS  11           HA       CYS  11   7.825   2.597   4.030
   69   1HB   CYS  11          2HB       CYS  11  10.169   2.148   3.951
   70   2HB   CYS  11          1HB       CYS  11   9.882   3.617   3.029
   71    HA   PRO  12           HA       PRO  12   7.618   1.681   8.355
   72   1HB   PRO  12          2HB       PRO  12   7.755  -1.019   8.222
   73   2HB   PRO  12          1HB       PRO  12   6.313  -0.094   7.778
   74   1HG   PRO  12          2HG       PRO  12   8.314  -1.416   6.044
   75   2HG   PRO  12          1HG       PRO  12   6.588  -1.134   5.768
   76   1HD   PRO  12          2HD       PRO  12   8.674   0.348   4.662
   77   2HD   PRO  12          1HD       PRO  12   6.972   0.848   4.741
   78    H    TYR  13           H        TYR  13  10.113   0.041   6.438
   79    HA   TYR  13           HA       TYR  13  12.068   0.544   8.566
   80   1HB   TYR  13          2HB       TYR  13  12.160  -2.135   7.283
   81   2HB   TYR  13          1HB       TYR  13  12.700  -1.634   8.880
   82    HD1  TYR  13           HD2      TYR  13  10.984  -1.247  10.676
   83    HD2  TYR  13           HD1      TYR  13  10.034  -3.062   6.933
   84    HE1  TYR  13           HE2      TYR  13   8.909  -2.161  11.644
   85    HE2  TYR  13           HE1      TYR  13   7.962  -3.976   7.904
   86    HH   TYR  13           HH       TYR  13   7.365  -4.402  10.905
   87    H    ASN  14           H        ASN  14  14.300   0.193   7.789
   88    HA   ASN  14           HA       ASN  14  14.702   1.380   5.232
   89   1HB   ASN  14          2HB       ASN  14  16.820  -0.064   6.805
   90   2HB   ASN  14          1HB       ASN  14  16.993   1.329   5.748
   91   1HD2  ASN  14          2HD2      ASN  14  17.246   2.786   8.993
   92   2HD2  ASN  14          1HD2      ASN  14  18.165   1.901   7.839
   93    H    GLU  15           H        GLU  15  13.956  -1.750   6.140
   94    HA   GLU  15           HA       GLU  15  15.442  -3.050   3.981
   95   1HB   GLU  15          2HB       GLU  15  14.621  -3.850   6.521
   96   2HB   GLU  15          1HB       GLU  15  13.559  -4.721   5.419
   97   1HG   GLU  15          2HG       GLU  15  15.529  -6.065   5.824
   98   2HG   GLU  15          1HG       GLU  15  15.581  -5.480   4.160
   99    H    ASN  16           H        ASN  16  12.799  -1.237   4.015
  100    HA   ASN  16           HA       ASN  16  11.421  -2.906   2.006
  101   1HB   ASN  16          2HB       ASN  16  10.275  -2.589   4.330
  102   2HB   ASN  16          1HB       ASN  16   9.901  -0.977   3.719
  103   1HD2  ASN  16          2HD2      ASN  16   6.991  -2.643   2.577
  104   2HD2  ASN  16          1HD2      ASN  16   7.667  -1.746   3.887
  105    H    CYS  17           H        CYS  17  13.340  -0.408   2.226
  106    HA   CYS  17           HA       CYS  17  11.798   1.554   0.713
  107   1HB   CYS  17          2HB       CYS  17  14.130   1.602   2.364
  108   2HB   CYS  17          1HB       CYS  17  14.551   2.217   0.775
  109    H    CYS  18           H        CYS  18  12.169   2.098  -1.420
  110    HA   CYS  18           HA       CYS  18  12.984   0.058  -3.184
  111   1HB   CYS  18          2HB       CYS  18  12.524   3.014  -3.537
  112   2HB   CYS  18          1HB       CYS  18  12.967   1.964  -4.871
  113    H    SER  19           H        SER  19  14.583   2.864  -1.842
  114    HA   SER  19           HA       SER  19  17.053   2.343  -3.284
  115   1HB   SER  19          2HB       SER  19  17.699   4.467  -2.692
  116   2HB   SER  19          1HB       SER  19  15.950   4.662  -2.679
  117    HG   SER  19           HG       SER  19  15.971   4.476  -0.450
  118    H    GLN  20           H        GLN  20  15.572   1.294  -0.486
  119    HA   GLN  20           HA       GLN  20  16.322  -0.075   1.201
  120   1HB   GLN  20          2HB       GLN  20  19.104   0.394   0.128
  121   2HB   GLN  20          1HB       GLN  20  18.581  -0.891   1.213
  122   1HG   GLN  20          2HG       GLN  20  17.117  -0.706  -1.351
  123   2HG   GLN  20          1HG       GLN  20  18.809  -1.195  -1.467
  124   1HE2  GLN  20          2HE2      GLN  20  16.230  -3.533   0.721
  125   2HE2  GLN  20          1HE2      GLN  20  16.004  -1.824   0.629
  126    H    SER  21           H        SER  21  16.681   3.096   0.902
  127    HA   SER  21           HA       SER  21  18.032   3.397   3.516
  128   1HB   SER  21          2HB       SER  21  18.261   4.913   0.990
  129   2HB   SER  21          1HB       SER  21  18.203   5.871   2.462
  130    HG   SER  21           HG       SER  21  20.299   5.374   2.408
  131    H    CYS  22           H        CYS  22  16.460   3.620   4.990
  132    HA   CYS  22           HA       CYS  22  14.096   5.261   4.360
  133   1HB   CYS  22          2HB       CYS  22  14.679   3.078   6.300
  134   2HB   CYS  22          1HB       CYS  22  13.478   4.280   6.744
  135    H    THR  23           H        THR  23  13.514   7.003   5.674
  136    HA   THR  23           HA       THR  23  15.455   7.861   7.716
  137    HB   THR  23           HB       THR  23  16.208   9.215   6.026
  138    HG1  THR  23           HG1      THR  23  15.735  10.906   7.176
  139   1HG2  THR  23          2HG2      THR  23  14.574   8.358   4.359
  140   2HG2  THR  23          1HG2      THR  23  13.399   9.528   4.965
  141   3HG2  THR  23          3HG2      THR  23  14.889  10.088   4.204
  142    H    PHE  24           H        PHE  24  14.490   9.946   8.809
  143    HA   PHE  24           HA       PHE  24  11.610   9.489   9.295
  144   1HB   PHE  24          2HB       PHE  24  13.832   9.339  11.091
  145   2HB   PHE  24          1HB       PHE  24  12.797  10.677  11.565
  146    HD1  PHE  24           HD2      PHE  24  10.206  10.087  11.561
  147    HD2  PHE  24           HD1      PHE  24  13.377   7.254  11.926
  148    HE1  PHE  24           HE2      PHE  24   8.661   8.496  12.638
  149    HE2  PHE  24           HE1      PHE  24  11.836   5.666  13.006
  150    HZ   PHE  24           HZ       PHE  24   9.476   6.285  13.362
  151    H    LYS  25           H        LYS  25  10.484  11.183   8.593
  152    HA   LYS  25           HA       LYS  25  11.697  13.873   8.743
  153   1HB   LYS  25          2HB       LYS  25   9.526  12.794   6.940
  154   2HB   LYS  25          1HB       LYS  25  10.032  14.481   6.995
  155   1HG   LYS  25          2HG       LYS  25  12.372  13.680   6.470
  156   2HG   LYS  25          1HG       LYS  25  11.676  12.090   6.165
  157   1HD   LYS  25          2HD       LYS  25  10.563  12.794   4.262
  158   2HD   LYS  25          1HD       LYS  25  10.509  14.474   4.788
  159   1HE   LYS  25          2HE       LYS  25  12.247  14.834   3.419
  160   2HE   LYS  25          1HE       LYS  25  13.224  13.933   4.575
  161   1HZ   LYS  25          2HZ       LYS  25  11.691  12.529   2.484
  162   2HZ   LYS  25          1HZ       LYS  25  13.211  13.203   2.134
  163   3HZ   LYS  25          3HZ       LYS  25  13.069  12.009   3.331
  164    H    GLU  26           H        GLU  26  10.431  15.598   9.525
  165    HA   GLU  26           HA       GLU  26   8.370  14.763  11.411
  166   1HB   GLU  26          2HB       GLU  26  10.401  16.220  12.014
  167   2HB   GLU  26          1HB       GLU  26   9.527  17.522  11.209
  168   1HG   GLU  26          2HG       GLU  26   8.681  17.839  13.302
  169   2HG   GLU  26          1HG       GLU  26   7.560  16.577  12.788
  170    H    ASN  27           H        ASN  27   6.316  15.576  11.438
  171    HA   ASN  27           HA       ASN  27   5.411  16.889   8.974
  172   1HB   ASN  27          2HB       ASN  27   3.254  16.080  10.684
  173   2HB   ASN  27          1HB       ASN  27   3.664  15.503   9.074
  174   1HD2  ASN  27          2HD2      ASN  27   3.952  12.954  11.999
  175   2HD2  ASN  27          1HD2      ASN  27   2.890  14.310  11.859
  176    H    GLU  28           H        GLU  28   3.123  18.047   9.693
  177    HA   GLU  28           HA       GLU  28   4.008  20.285  11.322
  178   1HB   GLU  28          2HB       GLU  28   2.902  20.557   9.058
  179   2HB   GLU  28          1HB       GLU  28   1.407  20.023   9.824
  180   1HG   GLU  28          2HG       GLU  28   1.291  22.366   9.942
  181   2HG   GLU  28          1HG       GLU  28   1.859  21.896  11.545
  182    H    ASN  29           H        ASN  29   1.965  17.529  11.488
  183    HA   ASN  29           HA       ASN  29   0.105  18.373  13.437
  184   1HB   ASN  29          2HB       ASN  29  -0.003  16.276  12.021
  185   2HB   ASN  29          1HB       ASN  29   1.181  15.573  13.125
  186   1HD2  ASN  29          2HD2      ASN  29  -1.576  14.411  14.942
  187   2HD2  ASN  29          1HD2      ASN  29  -0.250  14.020  13.905
  188    H    GLY  30           H        GLY  30   3.443  17.682  13.611
  189   1HA   GLY  30          2HA       GLY  30   4.759  18.317  15.487
  190   2HA   GLY  30          1HA       GLY  30   3.373  17.985  16.521
  191    H    ASN  31           H        ASN  31   3.974  15.686  14.067
  192    HA   ASN  31           HA       ASN  31   5.254  13.871  16.020
  193   1HB   ASN  31          2HB       ASN  31   2.949  13.496  14.181
  194   2HB   ASN  31          1HB       ASN  31   4.050  12.139  14.391
  195   1HD2  ASN  31          2HD2      ASN  31   2.820  11.270  17.512
  196   2HD2  ASN  31          1HD2      ASN  31   3.777  10.886  16.126
  197    H    THR  32           H        THR  32   6.043  11.834  14.539
  198    HA   THR  32           HA       THR  32   7.404  12.874  12.158
  199    HB   THR  32           HB       THR  32   8.821  13.059  14.309
  200    HG1  THR  32           HG1      THR  32  10.090  13.340  12.652
  201   1HG2  THR  32          3HG2      THR  32   9.003  10.094  13.760
  202   2HG2  THR  32          2HG2      THR  32  10.107  10.993  14.804
  203   3HG2  THR  32          1HG2      THR  32   8.398  10.862  15.229
  204    H    VAL  33           H        VAL  33   7.566  11.442  10.552
  205    HA   VAL  33           HA       VAL  33   6.940   8.610  11.120
  206    HB   VAL  33           HB       VAL  33   6.328   9.774   8.457
  207   1HG1  VAL  33          2HG1      VAL  33   5.584   7.461  10.087
  208   2HG1  VAL  33          1HG1      VAL  33   4.220   8.218   9.262
  209   3HG1  VAL  33          3HG1      VAL  33   5.609   7.652   8.333
  210   1HG2  VAL  33          3HG2      VAL  33   4.795  10.382  10.972
  211   2HG2  VAL  33          2HG2      VAL  33   5.303  11.487   9.693
  212   3HG2  VAL  33          1HG2      VAL  33   3.998  10.336   9.398
  213    H    LYS  34           H        LYS  34   7.587   7.341   8.938
  214    HA   LYS  34           HA       LYS  34  10.364   8.160   8.332
  215   1HB   LYS  34          2HB       LYS  34   9.132   5.555   9.030
  216   2HB   LYS  34          1HB       LYS  34  10.386   5.533   7.793
  217   1HG   LYS  34          2HG       LYS  34  11.999   6.440   9.259
  218   2HG   LYS  34          1HG       LYS  34  10.774   6.952  10.417
  219   1HD   LYS  34          2HD       LYS  34  10.635   4.898  11.376
  220   2HD   LYS  34          1HD       LYS  34  10.827   4.058   9.840
  221   1HE   LYS  34          2HE       LYS  34  13.072   5.415  11.341
  222   2HE   LYS  34          1HE       LYS  34  12.723   3.691  11.413
  223   1HZ   LYS  34          2HZ       LYS  34  12.847   4.068   8.785
  224   2HZ   LYS  34          1HZ       LYS  34  13.952   5.251   9.301
  225   3HZ   LYS  34          3HZ       LYS  34  14.186   3.627   9.732
  226    H    ARG  35           H        ARG  35  10.933   8.350   6.236
  227    HA   ARG  35           HA       ARG  35   9.010   7.461   4.176
  228   1HB   ARG  35          2HB       ARG  35  10.494  10.040   4.499
  229   2HB   ARG  35          1HB       ARG  35  10.093   9.467   2.883
  230   1HG   ARG  35          2HG       ARG  35   7.873   9.861   3.153
  231   2HG   ARG  35          1HG       ARG  35   7.889   9.372   4.846
  232   1HD   ARG  35          2HD       ARG  35   9.165  11.576   5.263
  233   2HD   ARG  35          1HD       ARG  35   8.612  12.039   3.654
  234    HE   ARG  35           HE       ARG  35   6.409  11.110   5.154
  235   1HH1  ARG  35          1HH2      ARG  35   8.669  13.753   4.978
  236   2HH1  ARG  35          2HH2      ARG  35   7.573  14.910   5.655
  237   1HH2  ARG  35          2HH1      ARG  35   4.953  12.630   6.052
  238   2HH2  ARG  35          1HH1      ARG  35   5.461  14.272   6.266
  239    H    CYS  36           H        CYS  36  10.462   7.914   1.934
  240    HA   CYS  36           HA       CYS  36  12.779   6.116   2.279
  241   1HB   CYS  36          2HB       CYS  36  10.646   5.573   0.807
  242   2HB   CYS  36          1HB       CYS  36  11.498   6.550  -0.371
  243    H    ASP  37           HN       ASP  37  14.677   6.541   1.127
  244    HA   ASP  37           HA       ASP  37  15.228   9.356   0.736
  245   1HB   ASP  37          2HB       ASP  37  16.828   6.846   0.900
  246   2HB   ASP  37          1HB       ASP  37  17.542   8.235   0.080
   
  No H/Q in entry =         246
  Start of MODEL   15
    1   1H    SER   1          2H        SER   1   0.254  -0.750  -0.069
    2   2H    SER   1          1H        SER   1   1.794  -1.032   0.590
    3   3H    SER   1          3H        SER   1   1.116   0.522   0.657
    4    HA   SER   1           HA       SER   1   1.213   0.729  -1.721
    5   1HB   SER   1          2HB       SER   1   3.775  -0.095  -0.365
    6   2HB   SER   1          1HB       SER   1   3.730   0.558  -1.999
    7    HG   SER   1           HG       SER   1   3.158   1.804   0.460
    8    HA   PRO   2           HA       PRO   2   1.303  -2.927  -4.171
    9   1HB   PRO   2          2HB       PRO   2   2.278  -1.984  -6.512
   10   2HB   PRO   2          1HB       PRO   2   0.647  -1.623  -5.924
   11   1HG   PRO   2          2HG       PRO   2   3.058   0.092  -5.964
   12   2HG   PRO   2          1HG       PRO   2   1.350   0.538  -6.093
   13   1HD   PRO   2          2HD       PRO   2   2.926   0.782  -3.806
   14   2HD   PRO   2          1HD       PRO   2   1.153   0.825  -3.855
   15    H    THR   3           H        THR   3   4.261  -1.028  -4.067
   16    HA   THR   3           HA       THR   3   5.841  -3.500  -4.027
   17    HB   THR   3           HB       THR   3   5.711  -2.429  -6.367
   18    HG1  THR   3           HG1      THR   3   7.301  -3.827  -6.308
   19   1HG2  THR   3          2HG2      THR   3   6.358  -0.137  -5.047
   20   2HG2  THR   3          1HG2      THR   3   7.941  -0.664  -5.627
   21   3HG2  THR   3          3HG2      THR   3   6.622  -0.408  -6.771
   22    H    CYS   4           H        CYS   4   8.330  -1.982  -4.171
   23    HA   CYS   4           HA       CYS   4   8.700  -1.412  -1.443
   24   1HB   CYS   4          2HB       CYS   4  10.868  -0.498  -2.149
   25   2HB   CYS   4          1HB       CYS   4  10.541  -2.060  -2.880
   26    H    ILE   5           H        ILE   5   9.275   0.643  -0.475
   27    HA   ILE   5           HA       ILE   5   7.425   2.735  -1.220
   28    HB   ILE   5           HB       ILE   5   9.502   2.515   0.952
   29   1HG1  ILE   5          2HG1      ILE   5   6.965   2.694   2.065
   30   2HG1  ILE   5          1HG1      ILE   5   6.740   1.654   0.662
   31   1HG2  ILE   5          3HG2      ILE   5   8.460   4.870  -0.041
   32   2HG2  ILE   5          2HG2      ILE   5   7.410   4.508   1.330
   33   3HG2  ILE   5          1HG2      ILE   5   9.154   4.639   1.565
   34   1HD1  ILE   5          1HD1      ILE   5   9.051   1.166   2.507
   35   2HD1  ILE   5          3HD1      ILE   5   7.440   0.606   2.959
   36   3HD1  ILE   5          2HD1      ILE   5   8.191   0.027   1.469
   37    HA   PRO   6           HA       PRO   6  10.600   4.522  -3.874
   38   1HB   PRO   6          2HB       PRO   6   8.995   6.401  -4.981
   39   2HB   PRO   6          1HB       PRO   6   9.047   4.713  -5.519
   40   1HG   PRO   6          2HG       PRO   6   7.059   6.077  -3.765
   41   2HG   PRO   6          1HG       PRO   6   6.800   4.851  -5.020
   42   1HD   PRO   6          2HD       PRO   6   6.815   4.275  -2.357
   43   2HD   PRO   6          1HD       PRO   6   7.296   3.110  -3.609
   44    H    SER   7           H        SER   7  11.671   6.511  -4.003
   45    HA   SER   7           HA       SER   7  12.135   7.870  -1.639
   46   1HB   SER   7          2HB       SER   7  13.384   9.445  -2.925
   47   2HB   SER   7          1HB       SER   7  13.569   7.876  -3.702
   48    HG   SER   7           HG       SER   7  13.067   9.608  -5.186
   49    H    GLY   8           H        GLY   8  11.010   9.292  -0.501
   50   1HA   GLY   8          2HA       GLY   8   9.825  11.341  -0.237
   51   2HA   GLY   8          1HA       GLY   8   9.174  11.142  -1.862
   52    H    GLN   9           H        GLN   9   9.072   8.205  -0.294
   53    HA   GLN   9           HA       GLN   9   6.267   8.636   0.538
   54   1HB   GLN   9          2HB       GLN   9   7.412   6.771  -1.301
   55   2HB   GLN   9          1HB       GLN   9   6.754   5.885   0.072
   56   1HG   GLN   9          2HG       GLN   9   4.831   6.043  -1.145
   57   2HG   GLN   9          1HG       GLN   9   4.733   7.611  -0.345
   58   1HE2  GLN   9          2HE2      GLN   9   5.850   9.425  -3.250
   59   2HE2  GLN   9          1HE2      GLN   9   6.067   9.356  -1.537
   60    HA   PRO  10           HA       PRO  10   7.384   7.154   4.530
   61   1HB   PRO  10          2HB       PRO  10   5.066   6.039   5.369
   62   2HB   PRO  10          1HB       PRO  10   5.308   7.786   5.218
   63   1HG   PRO  10          2HG       PRO  10   3.809   5.933   3.465
   64   2HG   PRO  10          1HG       PRO  10   3.522   7.645   3.809
   65   1HD   PRO  10          2HD       PRO  10   4.720   6.628   1.506
   66   2HD   PRO  10          1HD       PRO  10   4.793   8.313   2.057
   67    H    CYS  11           H        CYS  11   8.616   5.481   5.081
   68    HA   CYS  11           HA       CYS  11   7.843   2.764   4.207
   69   1HB   CYS  11          2HB       CYS  11  10.171   2.210   4.058
   70   2HB   CYS  11          1HB       CYS  11   9.897   3.678   3.129
   71    HA   PRO  12           HA       PRO  12   7.786   1.768   8.518
   72   1HB   PRO  12          2HB       PRO  12   7.867  -0.931   8.342
   73   2HB   PRO  12          1HB       PRO  12   6.428   0.026   7.958
   74   1HG   PRO  12          2HG       PRO  12   8.345  -1.308   6.142
   75   2HG   PRO  12          1HG       PRO  12   6.617  -0.985   5.925
   76   1HD   PRO  12          2HD       PRO  12   8.703   0.470   4.779
   77   2HD   PRO  12          1HD       PRO  12   7.014   1.000   4.910
   78    H    TYR  13           H        TYR  13  10.199   0.156   6.483
   79    HA   TYR  13           HA       TYR  13  12.234   0.595   8.538
   80   1HB   TYR  13          2HB       TYR  13  12.218  -2.096   7.277
   81   2HB   TYR  13          1HB       TYR  13  12.832  -1.594   8.846
   82    HD1  TYR  13           HD2      TYR  13  11.163  -1.091  10.686
   83    HD2  TYR  13           HD1      TYR  13  10.097  -3.046   7.045
   84    HE1  TYR  13           HE2      TYR  13   9.112  -1.954  11.746
   85    HE2  TYR  13           HE1      TYR  13   8.048  -3.907   8.108
   86    HH   TYR  13           HH       TYR  13   7.395  -4.410  10.712
   87    H    ASN  14           H        ASN  14  14.427   0.189   7.680
   88    HA   ASN  14           HA       ASN  14  14.759   1.349   5.104
   89   1HB   ASN  14          2HB       ASN  14  16.905  -0.153   6.581
   90   2HB   ASN  14          1HB       ASN  14  17.066   1.243   5.527
   91   1HD2  ASN  14          2HD2      ASN  14  17.514   2.668   8.763
   92   2HD2  ASN  14          1HD2      ASN  14  18.350   1.770   7.558
   93    H    GLU  15           H        GLU  15  14.024  -1.772   6.103
   94    HA   GLU  15           HA       GLU  15  15.355  -3.122   3.880
   95   1HB   GLU  15          2HB       GLU  15  14.693  -3.883   6.455
   96   2HB   GLU  15          1HB       GLU  15  13.489  -4.701   5.464
   97   1HG   GLU  15          2HG       GLU  15  15.788  -5.135   4.034
   98   2HG   GLU  15          1HG       GLU  15  16.376  -5.184   5.696
   99    H    ASN  16           H        ASN  16  12.860  -1.202   3.865
  100    HA   ASN  16           HA       ASN  16  11.358  -2.856   1.949
  101   1HB   ASN  16          2HB       ASN  16  10.328  -2.563   4.370
  102   2HB   ASN  16          1HB       ASN  16   9.826  -1.005   3.711
  103   1HD2  ASN  16          2HD2      ASN  16   7.029  -2.510   2.316
  104   2HD2  ASN  16          1HD2      ASN  16   7.715  -1.255   3.285
  105    H    CYS  17           H        CYS  17  13.330  -0.548   1.879
  106    HA   CYS  17           HA       CYS  17  11.653   1.488   0.568
  107   1HB   CYS  17          2HB       CYS  17  14.011   1.598   2.189
  108   2HB   CYS  17          1HB       CYS  17  14.360   2.288   0.611
  109    H    CYS  18           H        CYS  18  11.976   2.092  -1.547
  110    HA   CYS  18           HA       CYS  18  12.834   0.146  -3.382
  111   1HB   CYS  18          2HB       CYS  18  12.381   3.114  -3.663
  112   2HB   CYS  18          1HB       CYS  18  12.731   2.055  -5.017
  113    H    SER  19           H        SER  19  14.383   2.968  -2.001
  114    HA   SER  19           HA       SER  19  16.848   2.543  -3.475
  115   1HB   SER  19          2HB       SER  19  17.524   4.633  -2.668
  116   2HB   SER  19          1HB       SER  19  15.789   4.820  -2.901
  117    HG   SER  19           HG       SER  19  16.406   5.590  -0.841
  118    H    GLN  20           H        GLN  20  15.430   1.351  -0.708
  119    HA   GLN  20           HA       GLN  20  16.218  -0.057   0.922
  120   1HB   GLN  20          2HB       GLN  20  18.951   0.472  -0.252
  121   2HB   GLN  20          1HB       GLN  20  18.540  -0.783   0.911
  122   1HG   GLN  20          2HG       GLN  20  17.044  -0.662  -1.677
  123   2HG   GLN  20          1HG       GLN  20  18.673  -1.339  -1.658
  124   1HE2  GLN  20          2HE2      GLN  20  15.628  -3.239   0.325
  125   2HE2  GLN  20          1HE2      GLN  20  15.519  -1.561  -0.072
  126    H    SER  21           H        SER  21  16.581   3.135   0.720
  127    HA   SER  21           HA       SER  21  17.965   3.343   3.325
  128   1HB   SER  21          2HB       SER  21  17.948   5.885   2.259
  129   2HB   SER  21          1HB       SER  21  19.307   4.770   2.250
  130    HG   SER  21           HG       SER  21  18.975   5.323   0.134
  131    H    CYS  22           H        CYS  22  16.650   3.766   4.955
  132    HA   CYS  22           HA       CYS  22  14.171   5.301   4.457
  133   1HB   CYS  22          2HB       CYS  22  14.800   2.964   6.185
  134   2HB   CYS  22          1HB       CYS  22  13.623   4.125   6.772
  135    H    THR  23           H        THR  23  13.773   7.070   5.717
  136    HA   THR  23           HA       THR  23  15.701   7.701   7.863
  137    HB   THR  23           HB       THR  23  16.495   9.133   6.259
  138    HG1  THR  23           HG1      THR  23  16.062  10.845   7.380
  139   1HG2  THR  23          3HG2      THR  23  14.808   8.391   4.562
  140   2HG2  THR  23          2HG2      THR  23  13.712   9.621   5.199
  141   3HG2  THR  23          1HG2      THR  23  15.243  10.099   4.460
  142    H    PHE  24           H        PHE  24  14.800   9.766   9.066
  143    HA   PHE  24           HA       PHE  24  11.903   9.386   9.515
  144   1HB   PHE  24          2HB       PHE  24  14.051   8.950  11.315
  145   2HB   PHE  24          1HB       PHE  24  13.197  10.388  11.853
  146    HD1  PHE  24           HD2      PHE  24  10.501  10.070  11.650
  147    HD2  PHE  24           HD1      PHE  24  13.378   6.974  12.251
  148    HE1  PHE  24           HE2      PHE  24   8.759   8.646  12.657
  149    HE2  PHE  24           HE1      PHE  24  11.636   5.553  13.262
  150    HZ   PHE  24           HZ       PHE  24   9.326   6.388  13.464
  151    H    LYS  25           H        LYS  25  10.886  11.165   8.847
  152    HA   LYS  25           HA       LYS  25  12.162  13.790   9.330
  153   1HB   LYS  25          2HB       LYS  25  10.276  12.981   7.109
  154   2HB   LYS  25          1HB       LYS  25  10.915  14.603   7.367
  155   1HG   LYS  25          2HG       LYS  25  13.124  13.930   6.855
  156   2HG   LYS  25          1HG       LYS  25  12.722  12.221   7.004
  157   1HD   LYS  25          2HD       LYS  25  11.872  12.102   4.902
  158   2HD   LYS  25          1HD       LYS  25  11.182  13.721   4.978
  159   1HE   LYS  25          2HE       LYS  25  12.927  13.743   3.330
  160   2HE   LYS  25          1HE       LYS  25  13.499  14.641   4.731
  161   1HZ   LYS  25          1HZ       LYS  25  14.107  11.773   4.340
  162   2HZ   LYS  25          3HZ       LYS  25  15.091  13.000   3.703
  163   3HZ   LYS  25          2HZ       LYS  25  14.868  12.879   5.382
  164    H    GLU  26           H        GLU  26  10.701  15.545   9.828
  165    HA   GLU  26           HA       GLU  26   8.499  14.654  11.492
  166   1HB   GLU  26          2HB       GLU  26  10.361  16.465  11.990
  167   2HB   GLU  26          1HB       GLU  26   9.205  17.525  11.189
  168   1HG   GLU  26          2HG       GLU  26   7.571  17.188  12.824
  169   2HG   GLU  26          1HG       GLU  26   8.295  15.676  13.372
  170    H    ASN  27           H        ASN  27   6.396  15.508  11.357
  171    HA   ASN  27           HA       ASN  27   5.619  16.341   8.642
  172   1HB   ASN  27          2HB       ASN  27   3.311  15.666  10.075
  173   2HB   ASN  27          1HB       ASN  27   4.101  14.709   8.827
  174   1HD2  ASN  27          2HD2      ASN  27   3.904  13.270  12.491
  175   2HD2  ASN  27          1HD2      ASN  27   2.896  14.499  11.814
  176    H    GLU  28           H        GLU  28   3.161  17.352   9.099
  177    HA   GLU  28           HA       GLU  28   3.769  19.895  10.367
  178   1HB   GLU  28          2HB       GLU  28   2.744  19.682   8.052
  179   2HB   GLU  28          1HB       GLU  28   1.267  19.167   8.861
  180   1HG   GLU  28          2HG       GLU  28   2.186  21.520  10.169
  181   2HG   GLU  28          1HG       GLU  28   2.226  21.823   8.431
  182    H    ASN  29           H        ASN  29   1.487  17.227  10.591
  183    HA   ASN  29           HA       ASN  29  -0.374  18.111  12.380
  184   1HB   ASN  29          2HB       ASN  29  -0.573  15.895  11.560
  185   2HB   ASN  29          1HB       ASN  29   1.009  15.439  12.193
  186   1HD2  ASN  29          2HD2      ASN  29  -0.183  14.518  15.317
  187   2HD2  ASN  29          1HD2      ASN  29   1.117  14.587  14.181
  188    H    GLY  30           H        GLY  30   2.730  16.612  13.278
  189   1HA   GLY  30          2HA       GLY  30   3.896  18.127  15.034
  190   2HA   GLY  30          1HA       GLY  30   2.465  17.716  15.972
  191    H    ASN  31           H        ASN  31   4.194  15.599  13.745
  192    HA   ASN  31           HA       ASN  31   5.343  14.079  15.970
  193   1HB   ASN  31          2HB       ASN  31   2.996  13.274  14.473
  194   2HB   ASN  31          1HB       ASN  31   4.308  12.111  14.287
  195   1HD2  ASN  31          2HD2      ASN  31   4.313  11.075  17.653
  196   2HD2  ASN  31          1HD2      ASN  31   5.214  11.164  16.181
  197    H    THR  32           H        THR  32   6.220  11.889  14.584
  198    HA   THR  32           HA       THR  32   7.640  12.895  12.223
  199    HB   THR  32           HB       THR  32   8.955  13.132  14.469
  200    HG1  THR  32           HG1      THR  32  10.190  13.549  12.798
  201   1HG2  THR  32          2HG2      THR  32   8.522  10.766  15.158
  202   2HG2  THR  32          1HG2      THR  32   9.539  10.244  13.814
  203   3HG2  THR  32          3HG2      THR  32  10.231  11.204  15.122
  204    H    VAL  33           H        VAL  33   7.827  11.418  10.657
  205    HA   VAL  33           HA       VAL  33   7.278   8.592  11.316
  206    HB   VAL  33           HB       VAL  33   6.547   9.658   8.643
  207   1HG1  VAL  33          3HG1      VAL  33   5.903   7.385  10.379
  208   2HG1  VAL  33          2HG1      VAL  33   4.512   8.072   9.535
  209   3HG1  VAL  33          1HG1      VAL  33   5.910   7.504   8.618
  210   1HG2  VAL  33          1HG2      VAL  33   5.141  10.361  11.196
  211   2HG2  VAL  33          3HG2      VAL  33   5.467  11.369   9.785
  212   3HG2  VAL  33          2HG2      VAL  33   4.213  10.129   9.713
  213    H    LYS  34           H        LYS  34   7.865   7.303   9.117
  214    HA   LYS  34           HA       LYS  34  10.634   8.120   8.484
  215   1HB   LYS  34          2HB       LYS  34   9.359   5.511   9.069
  216   2HB   LYS  34          1HB       LYS  34  10.584   5.518   7.803
  217   1HG   LYS  34          2HG       LYS  34  12.244   6.351   9.281
  218   2HG   LYS  34          1HG       LYS  34  11.047   6.770  10.502
  219   1HD   LYS  34          2HD       LYS  34  11.814   4.806  11.402
  220   2HD   LYS  34          1HD       LYS  34  10.535   4.165  10.373
  221   1HE   LYS  34          2HE       LYS  34  12.560   2.860  10.069
  222   2HE   LYS  34          1HE       LYS  34  12.208   3.758   8.594
  223   1HZ   LYS  34          1HZ       LYS  34  13.818   5.345  10.244
  224   2HZ   LYS  34          3HZ       LYS  34  14.532   3.810  10.144
  225   3HZ   LYS  34          2HZ       LYS  34  14.193   4.682   8.726
  226    H    ARG  35           H        ARG  35  11.232   8.330   6.390
  227    HA   ARG  35           HA       ARG  35   9.262   7.636   4.303
  228   1HB   ARG  35          2HB       ARG  35  10.982  10.103   4.556
  229   2HB   ARG  35          1HB       ARG  35  10.155   9.647   3.069
  230   1HG   ARG  35          2HG       ARG  35   8.055  10.064   3.950
  231   2HG   ARG  35          1HG       ARG  35   8.586   9.806   5.610
  232   1HD   ARG  35          2HD       ARG  35   9.911  11.935   5.431
  233   2HD   ARG  35          1HD       ARG  35   9.155  12.206   3.862
  234    HE   ARG  35           HE       ARG  35   7.173  11.728   5.837
  235   1HH1  ARG  35          1HH2      ARG  35   9.391  14.107   4.599
  236   2HH1  ARG  35          2HH2      ARG  35   8.505  15.455   5.228
  237   1HH2  ARG  35          2HH1      ARG  35   6.025  13.500   6.727
  238   2HH2  ARG  35          1HH1      ARG  35   6.593  15.111   6.437
  239    H    CYS  36           H        CYS  36  10.696   8.131   2.077
  240    HA   CYS  36           HA       CYS  36  12.995   6.289   2.328
  241   1HB   CYS  36          2HB       CYS  36  10.810   5.798   0.907
  242   2HB   CYS  36          1HB       CYS  36  11.655   6.771  -0.280
  243    H    ASP  37           HN       ASP  37  14.940   7.064   1.858
  244    HA   ASP  37           HA       ASP  37  15.497   9.730   1.317
  245   1HB   ASP  37          2HB       ASP  37  17.049   7.185   1.086
  246   2HB   ASP  37          1HB       ASP  37  17.741   8.675   0.447
   
  No H/Q in entry =         246
  Start of MODEL   16
    1   1H    SER   1          2H        SER   1   0.430  -5.199  -8.658
    2   2H    SER   1          1H        SER   1  -1.077  -5.718  -8.069
    3   3H    SER   1          3H        SER   1  -0.741  -4.060  -8.191
    4    HA   SER   1           HA       SER   1  -0.588  -4.761  -5.909
    5   1HB   SER   1          2HB       SER   1   1.098  -6.371  -5.214
    6   2HB   SER   1          1HB       SER   1  -0.010  -7.117  -6.362
    7    HG   SER   1           HG       SER   1   2.300  -5.879  -7.365
    8    HA   PRO   2           HA       PRO   2   2.522  -1.656  -5.685
    9   1HB   PRO   2          2HB       PRO   2   3.025  -1.636  -3.028
   10   2HB   PRO   2          1HB       PRO   2   1.535  -0.999  -3.741
   11   1HG   PRO   2          2HG       PRO   2   1.993  -3.526  -2.272
   12   2HG   PRO   2          1HG       PRO   2   0.537  -2.523  -2.372
   13   1HD   PRO   2          2HD       PRO   2   0.987  -4.894  -3.775
   14   2HD   PRO   2          1HD       PRO   2  -0.260  -3.688  -4.143
   15    H    THR   3           H        THR   3   4.750  -1.211  -4.867
   16    HA   THR   3           HA       THR   3   6.369  -3.660  -4.564
   17    HB   THR   3           HB       THR   3   6.337  -2.602  -6.914
   18    HG1  THR   3           HG1      THR   3   7.959  -3.945  -6.807
   19   1HG2  THR   3          1HG2      THR   3   6.906  -0.299  -5.545
   20   2HG2  THR   3          3HG2      THR   3   8.501  -0.799  -6.112
   21   3HG2  THR   3          2HG2      THR   3   7.191  -0.554  -7.268
   22    H    CYS   4           H        CYS   4   8.832  -2.120  -4.577
   23    HA   CYS   4           HA       CYS   4   9.093  -1.550  -1.854
   24   1HB   CYS   4          2HB       CYS   4  11.238  -0.578  -2.444
   25   2HB   CYS   4          1HB       CYS   4  10.979  -2.069  -3.332
   26    H    ILE   5           H        ILE   5   9.409   0.459  -0.771
   27    HA   ILE   5           HA       ILE   5   7.541   2.502  -1.599
   28    HB   ILE   5           HB       ILE   5   9.429   2.306   0.740
   29   1HG1  ILE   5          2HG1      ILE   5   6.685   2.252   1.475
   30   2HG1  ILE   5          1HG1      ILE   5   6.911   1.095   0.165
   31   1HG2  ILE   5          2HG2      ILE   5   8.359   4.624  -0.226
   32   2HG2  ILE   5          1HG2      ILE   5   7.128   4.115   0.934
   33   3HG2  ILE   5          3HG2      ILE   5   8.797   4.340   1.461
   34   1HD1  ILE   5          2HD1      ILE   5   9.011   1.039   2.226
   35   2HD1  ILE   5          1HD1      ILE   5   7.409   0.563   2.791
   36   3HD1  ILE   5          3HD1      ILE   5   8.159  -0.294   1.443
   37    HA   PRO   6           HA       PRO   6  10.844   4.585  -3.816
   38   1HB   PRO   6          2HB       PRO   6   9.258   6.441  -4.990
   39   2HB   PRO   6          1HB       PRO   6   9.449   4.787  -5.593
   40   1HG   PRO   6          2HG       PRO   6   7.219   5.984  -4.037
   41   2HG   PRO   6          1HG       PRO   6   7.173   4.754  -5.312
   42   1HD   PRO   6          2HD       PRO   6   6.965   4.206  -2.624
   43   2HD   PRO   6          1HD       PRO   6   7.523   3.039  -3.839
   44    H    SER   7           H        SER   7  11.796   6.668  -3.770
   45    HA   SER   7           HA       SER   7  11.999   7.880  -1.295
   46   1HB   SER   7          2HB       SER   7  13.712   8.255  -2.888
   47   2HB   SER   7          1HB       SER   7  12.579   8.923  -4.058
   48    HG   SER   7           HG       SER   7  12.815  10.147  -1.534
   49    H    GLY   8           H        GLY   8  10.731   9.167  -0.151
   50   1HA   GLY   8          2HA       GLY   8   9.499  11.242   0.023
   51   2HA   GLY   8          1HA       GLY   8   8.783  10.895  -1.549
   52    H    GLN   9           H        GLN   9   8.452   8.027  -0.733
   53    HA   GLN   9           HA       GLN   9   5.870   8.353   0.579
   54   1HB   GLN   9          2HB       GLN   9   6.904   6.634  -1.398
   55   2HB   GLN   9          1HB       GLN   9   6.552   5.622   0.000
   56   1HG   GLN   9          2HG       GLN   9   4.372   5.698  -0.488
   57   2HG   GLN   9          1HG       GLN   9   4.393   7.456  -0.333
   58   1HE2  GLN   9          2HE2      GLN   9   4.682   5.695  -4.020
   59   2HE2  GLN   9          1HE2      GLN   9   5.019   4.805  -2.580
   60    HA   PRO  10           HA       PRO  10   7.186   6.847   4.501
   61   1HB   PRO  10          2HB       PRO  10   4.979   5.553   5.380
   62   2HB   PRO  10          1HB       PRO  10   5.095   7.315   5.268
   63   1HG   PRO  10          2HG       PRO  10   3.686   5.402   3.500
   64   2HG   PRO  10          1HG       PRO  10   3.273   7.073   3.916
   65   1HD   PRO  10          2HD       PRO  10   4.458   6.256   1.540
   66   2HD   PRO  10          1HD       PRO  10   4.457   7.913   2.174
   67    H    CYS  11           H        CYS  11   8.406   5.208   5.186
   68    HA   CYS  11           HA       CYS  11   7.857   2.481   4.192
   69   1HB   CYS  11          2HB       CYS  11  10.221   2.091   4.012
   70   2HB   CYS  11          1HB       CYS  11   9.821   3.534   3.092
   71    HA   PRO  12           HA       PRO  12   7.910   1.497   8.514
   72   1HB   PRO  12          2HB       PRO  12   7.848  -1.200   8.301
   73   2HB   PRO  12          1HB       PRO  12   6.442  -0.166   8.004
   74   1HG   PRO  12          2HG       PRO  12   8.177  -1.585   6.079
   75   2HG   PRO  12          1HG       PRO  12   6.469  -1.138   5.947
   76   1HD   PRO  12          2HD       PRO  12   8.622   0.190   4.742
   77   2HD   PRO  12          1HD       PRO  12   6.967   0.807   4.906
   78    H    TYR  13           H        TYR  13  10.191  -0.078   6.317
   79    HA   TYR  13           HA       TYR  13  12.257   0.061   8.403
   80   1HB   TYR  13          2HB       TYR  13  12.205  -2.379   6.708
   81   2HB   TYR  13          1HB       TYR  13  12.822  -2.156   8.340
   82    HD1  TYR  13           HD2      TYR  13  11.252  -2.128  10.259
   83    HD2  TYR  13           HD1      TYR  13   9.972  -3.056   6.296
   84    HE1  TYR  13           HE2      TYR  13   9.183  -3.122  11.157
   85    HE2  TYR  13           HE1      TYR  13   7.906  -4.050   7.196
   86    HH   TYR  13           HH       TYR  13   7.328  -4.250  10.687
   87    H    ASN  14           H        ASN  14  14.424  -0.039   7.552
   88    HA   ASN  14           HA       ASN  14  14.775   1.437   5.158
   89   1HB   ASN  14          2HB       ASN  14  16.913  -0.186   6.521
   90   2HB   ASN  14          1HB       ASN  14  17.087   1.305   5.606
   91   1HD2  ASN  14          2HD2      ASN  14  17.376   2.450   8.965
   92   2HD2  ASN  14          1HD2      ASN  14  18.280   1.690   7.714
   93    H    GLU  15           H        GLU  15  14.139  -1.819   5.701
   94    HA   GLU  15           HA       GLU  15  15.591  -2.841   3.396
   95   1HB   GLU  15          2HB       GLU  15  14.659  -3.936   5.786
   96   2HB   GLU  15          1HB       GLU  15  13.622  -4.632   4.542
   97   1HG   GLU  15          2HG       GLU  15  15.286  -6.113   4.216
   98   2HG   GLU  15          1HG       GLU  15  16.136  -4.794   3.409
   99    H    ASN  16           H        ASN  16  12.417  -1.708   4.215
  100    HA   ASN  16           HA       ASN  16  11.211  -2.865   1.820
  101   1HB   ASN  16          2HB       ASN  16  10.146  -2.527   4.221
  102   2HB   ASN  16          1HB       ASN  16   9.757  -0.937   3.565
  103   1HD2  ASN  16          2HD2      ASN  16   6.834  -2.533   2.427
  104   2HD2  ASN  16          1HD2      ASN  16   7.528  -1.512   3.635
  105    H    CYS  17           H        CYS  17  13.275  -0.514   2.061
  106    HA   CYS  17           HA       CYS  17  11.774   1.564   0.637
  107   1HB   CYS  17          2HB       CYS  17  14.074   1.529   2.343
  108   2HB   CYS  17          1HB       CYS  17  14.516   2.220   0.788
  109    H    CYS  18           H        CYS  18  12.228   2.194  -1.452
  110    HA   CYS  18           HA       CYS  18  13.046   0.221  -3.283
  111   1HB   CYS  18          2HB       CYS  18  12.660   3.198  -3.504
  112   2HB   CYS  18          1HB       CYS  18  13.151   2.217  -4.872
  113    H    SER  19           H        SER  19  14.685   2.912  -1.760
  114    HA   SER  19           HA       SER  19  17.183   2.359  -3.149
  115   1HB   SER  19          2HB       SER  19  17.865   4.454  -2.508
  116   2HB   SER  19          1HB       SER  19  16.122   4.700  -2.519
  117    HG   SER  19           HG       SER  19  17.115   5.432  -0.555
  118    H    GLN  20           H        GLN  20  15.579   1.236  -0.478
  119    HA   GLN  20           HA       GLN  20  16.209  -0.151   1.231
  120   1HB   GLN  20          2HB       GLN  20  18.996   0.191   0.113
  121   2HB   GLN  20          1HB       GLN  20  18.517  -0.975   1.342
  122   1HG   GLN  20          2HG       GLN  20  17.535  -0.862  -1.516
  123   2HG   GLN  20          1HG       GLN  20  18.600  -2.081  -0.813
  124   1HE2  GLN  20          1HE2      GLN  20  17.561  -2.885   1.413
  125   2HE2  GLN  20          2HE2      GLN  20  15.934  -3.445   1.255
  126    H    SER  21           H        SER  21  16.746   3.005   0.996
  127    HA   SER  21           HA       SER  21  18.026   3.198   3.653
  128   1HB   SER  21          2HB       SER  21  18.299   4.832   1.180
  129   2HB   SER  21          1HB       SER  21  18.378   5.660   2.728
  130    HG   SER  21           HG       SER  21  20.087   4.273   3.314
  131    H    CYS  22           H        CYS  22  16.476   3.531   5.130
  132    HA   CYS  22           HA       CYS  22  14.153   5.211   4.441
  133   1HB   CYS  22          2HB       CYS  22  14.651   3.041   6.424
  134   2HB   CYS  22          1HB       CYS  22  13.456   4.266   6.808
  135    H    THR  23           H        THR  23  13.611   6.998   5.701
  136    HA   THR  23           HA       THR  23  15.562   7.826   7.755
  137    HB   THR  23           HB       THR  23  16.303   9.155   6.030
  138    HG1  THR  23           HG1      THR  23  15.900  10.861   7.182
  139   1HG2  THR  23          1HG2      THR  23  13.450   9.230   5.059
  140   2HG2  THR  23          3HG2      THR  23  14.732  10.230   4.373
  141   3HG2  THR  23          2HG2      THR  23  14.840   8.469   4.282
  142    H    PHE  24           H        PHE  24  14.644   9.915   8.861
  143    HA   PHE  24           HA       PHE  24  11.760   9.511   9.381
  144   1HB   PHE  24          2HB       PHE  24  13.976   9.281  11.157
  145   2HB   PHE  24          1HB       PHE  24  13.038  10.690  11.628
  146    HD1  PHE  24           HD2      PHE  24  10.375  10.203  11.520
  147    HD2  PHE  24           HD1      PHE  24  13.440   7.309  12.187
  148    HE1  PHE  24           HE2      PHE  24   8.742   8.731  12.634
  149    HE2  PHE  24           HE1      PHE  24  11.809   5.839  13.308
  150    HZ   PHE  24           HZ       PHE  24   9.460   6.550  13.530
  151    H    LYS  25           H        LYS  25  10.675  11.222   8.642
  152    HA   LYS  25           HA       LYS  25  11.918  13.895   8.819
  153   1HB   LYS  25          2HB       LYS  25  11.154  12.811   6.555
  154   2HB   LYS  25          1HB       LYS  25   9.548  13.296   7.093
  155   1HG   LYS  25          2HG       LYS  25  10.470  15.620   7.423
  156   2HG   LYS  25          1HG       LYS  25  11.947  15.074   6.634
  157   1HD   LYS  25          2HD       LYS  25  10.019  14.240   4.873
  158   2HD   LYS  25          1HD       LYS  25   9.332  15.744   5.479
  159   1HE   LYS  25          2HE       LYS  25  10.608  16.455   3.661
  160   2HE   LYS  25          1HE       LYS  25  11.685  16.735   5.026
  161   1HZ   LYS  25          2HZ       LYS  25  12.097  14.124   4.176
  162   2HZ   LYS  25          1HZ       LYS  25  12.076  15.090   2.778
  163   3HZ   LYS  25          3HZ       LYS  25  13.158  15.444   4.036
  164    H    GLU  26           H        GLU  26  10.449  15.677   9.339
  165    HA   GLU  26           HA       GLU  26   8.457  14.836  11.304
  166   1HB   GLU  26          2HB       GLU  26  10.456  16.504  11.698
  167   2HB   GLU  26          1HB       GLU  26   9.329  17.666  11.003
  168   1HG   GLU  26          2HG       GLU  26   7.866  17.515  12.777
  169   2HG   GLU  26          1HG       GLU  26   8.327  15.854  13.150
  170    H    ASN  27           H        ASN  27   6.352  15.425  11.194
  171    HA   ASN  27           HA       ASN  27   5.411  16.536   8.657
  172   1HB   ASN  27          2HB       ASN  27   3.301  15.800  10.479
  173   2HB   ASN  27          1HB       ASN  27   3.678  15.143   8.893
  174   1HD2  ASN  27          2HD2      ASN  27   4.131  12.779  11.945
  175   2HD2  ASN  27          1HD2      ASN  27   3.023  14.090  11.759
  176    H    GLU  28           H        GLU  28   3.109  17.694   9.208
  177    HA   GLU  28           HA       GLU  28   3.880  20.094  10.652
  178   1HB   GLU  28          2HB       GLU  28   2.876  20.215   8.370
  179   2HB   GLU  28          1HB       GLU  28   1.383  19.563   9.042
  180   1HG   GLU  28          2HG       GLU  28   1.236  21.990   8.902
  181   2HG   GLU  28          1HG       GLU  28   1.272  21.493  10.595
  182    H    ASN  29           H        ASN  29   2.046  17.264  11.105
  183    HA   ASN  29           HA       ASN  29   0.059  18.243  12.891
  184   1HB   ASN  29          2HB       ASN  29   0.268  15.959  11.611
  185   2HB   ASN  29          1HB       ASN  29   1.126  15.457  13.068
  186   1HD2  ASN  29          2HD2      ASN  29  -1.925  14.676  14.535
  187   2HD2  ASN  29          1HD2      ASN  29  -0.334  14.187  14.070
  188    H    GLY  30           H        GLY  30   3.405  17.756  13.190
  189   1HA   GLY  30          2HA       GLY  30   4.644  18.572  15.042
  190   2HA   GLY  30          1HA       GLY  30   3.252  18.245  16.069
  191    H    ASN  31           H        ASN  31   4.025  15.818  13.797
  192    HA   ASN  31           HA       ASN  31   5.343  14.204  15.899
  193   1HB   ASN  31          2HB       ASN  31   3.047  13.631  14.134
  194   2HB   ASN  31          1HB       ASN  31   4.240  12.340  14.270
  195   1HD2  ASN  31          2HD2      ASN  31   2.028  11.575  17.000
  196   2HD2  ASN  31          1HD2      ASN  31   2.179  11.403  15.285
  197    H    THR  32           H        THR  32   6.180  12.078  14.511
  198    HA   THR  32           HA       THR  32   7.608  13.038  12.138
  199    HB   THR  32           HB       THR  32   8.942  13.281  14.367
  200    HG1  THR  32           HG1      THR  32  10.125  13.650  12.629
  201   1HG2  THR  32          1HG2      THR  32   8.531  11.016  15.199
  202   2HG2  THR  32          3HG2      THR  32   9.322  10.345  13.772
  203   3HG2  THR  32          2HG2      THR  32  10.255  11.290  14.934
  204    H    VAL  33           H        VAL  33   7.709  11.550  10.575
  205    HA   VAL  33           HA       VAL  33   7.116   8.739  11.275
  206    HB   VAL  33           HB       VAL  33   6.442   9.773   8.578
  207   1HG1  VAL  33          1HG1      VAL  33   5.716   7.557  10.349
  208   2HG1  VAL  33          3HG1      VAL  33   4.352   8.267   9.485
  209   3HG1  VAL  33          2HG1      VAL  33   5.737   7.645   8.586
  210   1HG2  VAL  33          3HG2      VAL  33   5.162  10.706  11.088
  211   2HG2  VAL  33          2HG2      VAL  33   5.294  11.505   9.519
  212   3HG2  VAL  33          1HG2      VAL  33   4.084  10.244   9.768
  213    H    LYS  34           H        LYS  34   7.738   7.344   9.210
  214    HA   LYS  34           HA       LYS  34  10.487   8.149   8.480
  215   1HB   LYS  34          2HB       LYS  34   9.275   5.576   9.303
  216   2HB   LYS  34          1HB       LYS  34  10.470   5.498   8.011
  217   1HG   LYS  34          2HG       LYS  34  12.144   6.496   9.371
  218   2HG   LYS  34          1HG       LYS  34  10.964   6.972  10.589
  219   1HD   LYS  34          2HD       LYS  34  12.101   5.071  11.463
  220   2HD   LYS  34          1HD       LYS  34  10.514   4.506  10.950
  221   1HE   LYS  34          2HE       LYS  34  12.720   4.379   8.960
  222   2HE   LYS  34          1HE       LYS  34  12.769   3.230  10.295
  223   1HZ   LYS  34          2HZ       LYS  34  10.296   2.874   9.640
  224   2HZ   LYS  34          1HZ       LYS  34  10.793   3.503   8.144
  225   3HZ   LYS  34          3HZ       LYS  34  11.529   2.105   8.760
  226    H    ARG  35           H        ARG  35  10.950   8.391   6.383
  227    HA   ARG  35           HA       ARG  35   9.007   7.407   4.384
  228   1HB   ARG  35          2HB       ARG  35  10.684   9.922   4.289
  229   2HB   ARG  35          1HB       ARG  35   9.612   9.357   3.011
  230   1HG   ARG  35          2HG       ARG  35   7.710   9.926   4.165
  231   2HG   ARG  35          1HG       ARG  35   8.463   9.682   5.740
  232   1HD   ARG  35          2HD       ARG  35   9.698  11.764   5.509
  233   2HD   ARG  35          1HD       ARG  35   9.072  11.988   3.877
  234    HE   ARG  35           HE       ARG  35   7.118  12.785   4.812
  235   1HH1  ARG  35          1HH2      ARG  35   8.967  11.032   7.179
  236   2HH1  ARG  35          2HH2      ARG  35   7.914  11.431   8.495
  237   1HH2  ARG  35          2HH1      ARG  35   5.708  13.312   6.538
  238   2HH2  ARG  35          1HH1      ARG  35   6.060  12.728   8.130
  239    H    CYS  36           H        CYS  36  10.413   7.881   2.107
  240    HA   CYS  36           HA       CYS  36  12.733   6.083   2.414
  241   1HB   CYS  36          2HB       CYS  36  10.603   5.550   0.956
  242   2HB   CYS  36          1HB       CYS  36  11.422   6.566  -0.215
  243    H    ASP  37           HN       ASP  37  14.661   6.574   1.470
  244    HA   ASP  37           HA       ASP  37  15.247   9.350   1.063
  245   1HB   ASP  37          2HB       ASP  37  16.777   6.803   1.167
  246   2HB   ASP  37          1HB       ASP  37  17.523   8.164   0.328
   
  No H/Q in entry =         246
  Start of MODEL   17
    1   1H    SER   1          2H        SER   1   2.220  -2.147  -8.074
    2   2H    SER   1          1H        SER   1   0.592  -1.947  -8.512
    3   3H    SER   1          3H        SER   1   1.815  -1.278  -9.476
    4    HA   SER   1           HA       SER   1   2.058   0.515  -8.206
    5   1HB   SER   1          2HB       SER   1  -0.117   1.085  -8.253
    6   2HB   SER   1          1HB       SER   1  -0.643  -0.545  -7.850
    7    HG   SER   1           HG       SER   1  -1.120   0.424  -6.001
    8    HA   PRO   2           HA       PRO   2   2.107  -0.980  -3.650
    9   1HB   PRO   2          2HB       PRO   2   1.434  -3.544  -3.112
   10   2HB   PRO   2          1HB       PRO   2   0.260  -2.219  -3.163
   11   1HG   PRO   2          2HG       PRO   2   0.782  -4.355  -5.145
   12   2HG   PRO   2          1HG       PRO   2  -0.729  -3.514  -4.758
   13   1HD   PRO   2          2HD       PRO   2   0.893  -2.999  -6.963
   14   2HD   PRO   2          1HD       PRO   2  -0.361  -1.918  -6.324
   15    H    THR   3           H        THR   3   4.342  -0.786  -4.269
   16    HA   THR   3           HA       THR   3   5.801  -3.338  -4.058
   17    HB   THR   3           HB       THR   3   5.685  -2.335  -6.429
   18    HG1  THR   3           HG1      THR   3   7.249  -3.732  -6.467
   19   1HG2  THR   3          1HG2      THR   3   6.424  -0.030  -5.220
   20   2HG2  THR   3          3HG2      THR   3   7.997  -0.644  -5.731
   21   3HG2  THR   3          2HG2      THR   3   6.721  -0.386  -6.922
   22    H    CYS   4           H        CYS   4   8.362  -1.988  -4.262
   23    HA   CYS   4           HA       CYS   4   8.828  -1.360  -1.579
   24   1HB   CYS   4          2HB       CYS   4  10.996  -0.549  -2.333
   25   2HB   CYS   4          1HB       CYS   4  10.586  -2.059  -3.130
   26    H    ILE   5           H        ILE   5   9.313   0.651  -0.573
   27    HA   ILE   5           HA       ILE   5   7.562   2.797  -1.395
   28    HB   ILE   5           HB       ILE   5   9.506   2.497   0.886
   29   1HG1  ILE   5          2HG1      ILE   5   6.865   2.757   1.794
   30   2HG1  ILE   5          1HG1      ILE   5   6.785   1.652   0.423
   31   1HG2  ILE   5          2HG2      ILE   5   8.545   4.889  -0.145
   32   2HG2  ILE   5          1HG2      ILE   5   7.468   4.540   1.209
   33   3HG2  ILE   5          3HG2      ILE   5   9.211   4.632   1.471
   34   1HD1  ILE   5          2HD1      ILE   5   8.985   1.200   2.363
   35   2HD1  ILE   5          1HD1      ILE   5   7.350   0.835   2.919
   36   3HD1  ILE   5          3HD1      ILE   5   7.993   0.034   1.486
   37    HA   PRO   6           HA       PRO   6  10.948   4.548  -3.808
   38   1HB   PRO   6          2HB       PRO   6   9.438   6.437  -5.037
   39   2HB   PRO   6          1HB       PRO   6   9.523   4.750  -5.571
   40   1HG   PRO   6          2HG       PRO   6   7.408   6.129  -3.995
   41   2HG   PRO   6          1HG       PRO   6   7.251   4.885  -5.249
   42   1HD   PRO   6          2HD       PRO   6   7.060   4.365  -2.571
   43   2HD   PRO   6          1HD       PRO   6   7.587   3.169  -3.771
   44    H    SER   7           H        SER   7  11.974   6.627  -3.882
   45    HA   SER   7           HA       SER   7  12.250   7.914  -1.437
   46   1HB   SER   7          2HB       SER   7  13.420   9.680  -2.692
   47   2HB   SER   7          1HB       SER   7  13.919   8.068  -3.193
   48    HG   SER   7           HG       SER   7  12.089   9.811  -4.512
   49    H    GLY   8           H        GLY   8  10.874   9.130  -0.332
   50   1HA   GLY   8          2HA       GLY   8   9.757  11.319  -0.253
   51   2HA   GLY   8          1HA       GLY   8   9.035  10.919  -1.810
   52    H    GLN   9           H        GLN   9   8.665   8.098  -0.854
   53    HA   GLN   9           HA       GLN   9   6.074   8.505   0.414
   54   1HB   GLN   9          2HB       GLN   9   7.158   6.653  -1.439
   55   2HB   GLN   9          1HB       GLN   9   6.693   5.746  -0.003
   56   1HG   GLN   9          2HG       GLN   9   4.588   5.798  -0.772
   57   2HG   GLN   9          1HG       GLN   9   4.583   7.528  -0.427
   58   1HE2  GLN   9          2HE2      GLN   9   5.013   6.164  -4.257
   59   2HE2  GLN   9          1HE2      GLN   9   5.213   5.111  -2.901
   60    HA   PRO  10           HA       PRO  10   7.344   7.132   4.403
   61   1HB   PRO  10          2HB       PRO  10   5.096   5.944   5.325
   62   2HB   PRO  10          1HB       PRO  10   5.262   7.695   5.127
   63   1HG   PRO  10          2HG       PRO  10   3.785   5.744   3.470
   64   2HG   PRO  10          1HG       PRO  10   3.457   7.459   3.760
   65   1HD   PRO  10          2HD       PRO  10   4.644   6.375   1.471
   66   2HD   PRO  10          1HD       PRO  10   4.636   8.088   1.936
   67    H    CYS  11           H        CYS  11   8.547   5.496   5.128
   68    HA   CYS  11           HA       CYS  11   7.898   2.735   4.294
   69   1HB   CYS  11          2HB       CYS  11  10.231   2.262   4.068
   70   2HB   CYS  11          1HB       CYS  11   9.883   3.701   3.121
   71    HA   PRO  12           HA       PRO  12   8.014   1.966   8.658
   72   1HB   PRO  12          2HB       PRO  12   7.938  -0.738   8.589
   73   2HB   PRO  12          1HB       PRO  12   6.532   0.284   8.255
   74   1HG   PRO  12          2HG       PRO  12   8.241  -1.238   6.385
   75   2HG   PRO  12          1HG       PRO  12   6.531  -0.799   6.254
   76   1HD   PRO  12          2HD       PRO  12   8.662   0.462   4.947
   77   2HD   PRO  12          1HD       PRO  12   7.011   1.092   5.110
   78    H    TYR  13           H        TYR  13  10.184   0.098   6.560
   79    HA   TYR  13           HA       TYR  13  12.330   0.422   8.549
   80   1HB   TYR  13          2HB       TYR  13  12.189  -2.151   7.069
   81   2HB   TYR  13          1HB       TYR  13  12.861  -1.803   8.656
   82    HD1  TYR  13           HD2      TYR  13  11.306  -1.493  10.597
   83    HD2  TYR  13           HD1      TYR  13   9.983  -2.918   6.799
   84    HE1  TYR  13           HE2      TYR  13   9.252  -2.372  11.640
   85    HE2  TYR  13           HE1      TYR  13   7.932  -3.796   7.843
   86    HH   TYR  13           HH       TYR  13   6.597  -3.557   9.763
   87    H    ASN  14           H        ASN  14  14.478   0.101   7.615
   88    HA   ASN  14           HA       ASN  14  14.763   1.421   5.111
   89   1HB   ASN  14          2HB       ASN  14  16.927  -0.160   6.474
   90   2HB   ASN  14          1HB       ASN  14  17.078   1.287   5.487
   91   1HD2  ASN  14          2HD2      ASN  14  17.548   2.534   8.799
   92   2HD2  ASN  14          1HD2      ASN  14  18.377   1.679   7.557
   93    H    GLU  15           H        GLU  15  13.982  -1.740   5.864
   94    HA   GLU  15           HA       GLU  15  15.348  -2.967   3.593
   95   1HB   GLU  15          2HB       GLU  15  14.463  -3.873   6.093
   96   2HB   GLU  15          1HB       GLU  15  13.412  -4.651   4.913
   97   1HG   GLU  15          2HG       GLU  15  15.527  -5.290   3.649
   98   2HG   GLU  15          1HG       GLU  15  16.424  -4.767   5.075
   99    H    ASN  16           H        ASN  16  12.404  -1.416   4.263
  100    HA   ASN  16           HA       ASN  16  11.023  -2.785   2.051
  101   1HB   ASN  16          2HB       ASN  16  10.038  -2.335   4.468
  102   2HB   ASN  16          1HB       ASN  16   9.659  -0.763   3.761
  103   1HD2  ASN  16          2HD2      ASN  16   6.683  -2.256   2.672
  104   2HD2  ASN  16          1HD2      ASN  16   7.436  -1.143   3.758
  105    H    CYS  17           H        CYS  17  13.156  -0.539   2.045
  106    HA   CYS  17           HA       CYS  17  11.647   1.545   0.626
  107   1HB   CYS  17          2HB       CYS  17  14.030   1.502   2.231
  108   2HB   CYS  17          1HB       CYS  17  14.393   2.158   0.642
  109    H    CYS  18           H        CYS  18  12.127   2.144  -1.495
  110    HA   CYS  18           HA       CYS  18  12.777   0.070  -3.289
  111   1HB   CYS  18          2HB       CYS  18  12.573   3.059  -3.591
  112   2HB   CYS  18          1HB       CYS  18  12.951   2.003  -4.939
  113    H    SER  19           H        SER  19  14.597   2.713  -1.892
  114    HA   SER  19           HA       SER  19  17.035   1.917  -3.280
  115   1HB   SER  19          2HB       SER  19  17.885   4.002  -2.761
  116   2HB   SER  19          1HB       SER  19  16.169   4.359  -2.906
  117    HG   SER  19           HG       SER  19  17.243   5.177  -0.949
  118    H    GLN  20           H        GLN  20  15.400   1.071  -0.544
  119    HA   GLN  20           HA       GLN  20  15.983  -0.247   1.240
  120   1HB   GLN  20          2HB       GLN  20  18.319  -0.367  -0.466
  121   2HB   GLN  20          1HB       GLN  20  18.767  -0.413   1.238
  122   1HG   GLN  20          2HG       GLN  20  18.397  -2.676   0.396
  123   2HG   GLN  20          1HG       GLN  20  17.162  -2.261   1.588
  124   1HE2  GLN  20          2HE2      GLN  20  14.727  -3.278  -0.670
  125   2HE2  GLN  20          1HE2      GLN  20  15.448  -3.417   0.894
  126    H    SER  21           H        SER  21  16.759   2.893   0.754
  127    HA   SER  21           HA       SER  21  18.016   3.233   3.397
  128   1HB   SER  21          2HB       SER  21  17.889   5.651   1.864
  129   2HB   SER  21          1HB       SER  21  19.297   4.776   2.443
  130    HG   SER  21           HG       SER  21  19.003   5.020   0.056
  131    H    CYS  22           H        CYS  22  16.642   3.717   4.972
  132    HA   CYS  22           HA       CYS  22  14.229   5.304   4.351
  133   1HB   CYS  22          2HB       CYS  22  14.799   3.107   6.278
  134   2HB   CYS  22          1HB       CYS  22  13.635   4.334   6.743
  135    H    THR  23           H        THR  23  13.635   6.962   5.843
  136    HA   THR  23           HA       THR  23  15.659   7.803   7.792
  137    HB   THR  23           HB       THR  23  16.404   9.055   5.967
  138    HG1  THR  23           HG1      THR  23  16.260  10.706   7.263
  139   1HG2  THR  23          1HG2      THR  23  13.512   9.559   5.263
  140   2HG2  THR  23          3HG2      THR  23  14.896  10.264   4.426
  141   3HG2  THR  23          2HG2      THR  23  14.642   8.518   4.395
  142    H    PHE  24           H        PHE  24  14.745   9.940   8.880
  143    HA   PHE  24           HA       PHE  24  11.864   9.519   9.397
  144   1HB   PHE  24          2HB       PHE  24  14.116   9.446  11.177
  145   2HB   PHE  24          1HB       PHE  24  13.041  10.760  11.628
  146    HD1  PHE  24           HD1      PHE  24  10.508  10.146  11.781
  147    HD2  PHE  24           HD2      PHE  24  13.691   7.306  11.920
  148    HE1  PHE  24           HE1      PHE  24   9.017   8.530  12.893
  149    HE2  PHE  24           HE2      PHE  24  12.200   5.689  13.032
  150    HZ   PHE  24           HZ       PHE  24   9.863   6.300  13.519
  151    H    LYS  25           H        LYS  25  10.683  11.212   8.795
  152    HA   LYS  25           HA       LYS  25  11.906  13.902   8.853
  153   1HB   LYS  25          2HB       LYS  25  10.935  12.599   6.655
  154   2HB   LYS  25          1HB       LYS  25   9.526  13.523   7.172
  155   1HG   LYS  25          2HG       LYS  25  12.095  14.991   7.156
  156   2HG   LYS  25          1HG       LYS  25  11.473  14.518   5.577
  157   1HD   LYS  25          2HD       LYS  25   9.222  15.492   6.786
  158   2HD   LYS  25          1HD       LYS  25  10.470  16.527   7.477
  159   1HE   LYS  25          2HE       LYS  25  11.266  16.675   4.960
  160   2HE   LYS  25          1HE       LYS  25   9.590  16.243   4.636
  161   1HZ   LYS  25          1HZ       LYS  25   9.012  18.129   6.196
  162   2HZ   LYS  25          3HZ       LYS  25  10.630  18.617   6.059
  163   3HZ   LYS  25          2HZ       LYS  25   9.642  18.562   4.678
  164    H    GLU  26           H        GLU  26  10.521  15.650   9.462
  165    HA   GLU  26           HA       GLU  26   8.575  14.871  11.469
  166   1HB   GLU  26          2HB       GLU  26  10.468  16.700  11.615
  167   2HB   GLU  26          1HB       GLU  26   9.233  17.714  10.875
  168   1HG   GLU  26          2HG       GLU  26   8.371  18.024  12.920
  169   2HG   GLU  26          1HG       GLU  26   7.918  16.319  12.924
  170    H    ASN  27           H        ASN  27   6.430  15.303  11.402
  171    HA   ASN  27           HA       ASN  27   5.328  16.189   8.832
  172   1HB   ASN  27          2HB       ASN  27   3.324  15.306  10.689
  173   2HB   ASN  27          1HB       ASN  27   3.787  14.605   9.145
  174   1HD2  ASN  27          2HD2      ASN  27   4.474  12.487  12.336
  175   2HD2  ASN  27          1HD2      ASN  27   3.232  13.659  12.074
  176    H    GLU  28           H        GLU  28   2.980  17.189   9.326
  177    HA   GLU  28           HA       GLU  28   3.524  19.652  10.769
  178   1HB   GLU  28          2HB       GLU  28   2.550  19.630   8.450
  179   2HB   GLU  28          1HB       GLU  28   1.087  18.936   9.145
  180   1HG   GLU  28          2HG       GLU  28   0.430  21.080   9.406
  181   2HG   GLU  28          1HG       GLU  28   1.530  21.092  10.785
  182    H    ASN  29           H        ASN  29   1.957  16.680  11.237
  183    HA   ASN  29           HA       ASN  29  -0.151  17.514  12.971
  184   1HB   ASN  29          2HB       ASN  29   0.272  15.247  11.694
  185   2HB   ASN  29          1HB       ASN  29   1.110  14.816  13.185
  186   1HD2  ASN  29          2HD2      ASN  29  -1.950  13.793  14.488
  187   2HD2  ASN  29          1HD2      ASN  29  -0.327  13.397  14.047
  188    H    GLY  30           H        GLY  30   3.206  17.365  13.320
  189   1HA   GLY  30          2HA       GLY  30   4.360  18.233  15.188
  190   2HA   GLY  30          1HA       GLY  30   2.977  17.817  16.195
  191    H    ASN  31           H        ASN  31   4.000  15.462  13.935
  192    HA   ASN  31           HA       ASN  31   5.373  13.938  16.065
  193   1HB   ASN  31          2HB       ASN  31   3.150  13.209  14.258
  194   2HB   ASN  31          1HB       ASN  31   4.416  11.997  14.444
  195   1HD2  ASN  31          2HD2      ASN  31   1.754  11.694  17.105
  196   2HD2  ASN  31          1HD2      ASN  31   1.688  11.859  15.387
  197    H    THR  32           H        THR  32   6.307  11.843  14.637
  198    HA   THR  32           HA       THR  32   7.746  12.919  12.320
  199    HB   THR  32           HB       THR  32   9.035  13.129  14.579
  200    HG1  THR  32           HG1      THR  32  10.139  13.571  12.762
  201   1HG2  THR  32          1HG2      THR  32   8.602  10.753  15.231
  202   2HG2  THR  32          3HG2      THR  32   9.639  10.251  13.894
  203   3HG2  THR  32          2HG2      THR  32  10.311  11.198  15.224
  204    H    VAL  33           H        VAL  33   7.709  11.513  10.702
  205    HA   VAL  33           HA       VAL  33   7.238   8.660  11.324
  206    HB   VAL  33           HB       VAL  33   6.573   9.776   8.653
  207   1HG1  VAL  33          2HG1      VAL  33   5.913   7.461  10.309
  208   2HG1  VAL  33          1HG1      VAL  33   4.513   8.179   9.511
  209   3HG1  VAL  33          3HG1      VAL  33   5.895   7.643   8.553
  210   1HG2  VAL  33          3HG2      VAL  33   5.299  10.628  11.175
  211   2HG2  VAL  33          2HG2      VAL  33   5.329  11.416   9.596
  212   3HG2  VAL  33          1HG2      VAL  33   4.191  10.101   9.906
  213    H    LYS  34           H        LYS  34   7.811   7.454   9.031
  214    HA   LYS  34           HA       LYS  34  10.594   8.253   8.434
  215   1HB   LYS  34          2HB       LYS  34   9.356   5.630   9.081
  216   2HB   LYS  34          1HB       LYS  34  10.631   5.645   7.868
  217   1HG   LYS  34          2HG       LYS  34  12.223   6.476   9.379
  218   2HG   LYS  34          1HG       LYS  34  10.990   7.034  10.506
  219   1HD   LYS  34          2HD       LYS  34  10.787   5.002  11.490
  220   2HD   LYS  34          1HD       LYS  34  10.953   4.137   9.964
  221   1HE   LYS  34          2HE       LYS  34  13.316   4.256  10.036
  222   2HE   LYS  34          1HE       LYS  34  13.296   5.482  11.299
  223   1HZ   LYS  34          3HZ       LYS  34  12.412   2.665  11.607
  224   2HZ   LYS  34          2HZ       LYS  34  13.879   3.311  12.171
  225   3HZ   LYS  34          1HZ       LYS  34  12.405   3.843  12.827
  226    H    ARG  35           H        ARG  35  11.184   8.342   6.311
  227    HA   ARG  35           HA       ARG  35   9.204   7.516   4.285
  228   1HB   ARG  35          2HB       ARG  35  10.869  10.039   4.326
  229   2HB   ARG  35          1HB       ARG  35   9.898   9.501   2.958
  230   1HG   ARG  35          2HG       ARG  35   7.985  10.223   3.893
  231   2HG   ARG  35          1HG       ARG  35   8.406   9.563   5.472
  232   1HD   ARG  35          2HD       ARG  35   8.998  11.592   6.216
  233   2HD   ARG  35          1HD       ARG  35  10.096  11.815   4.857
  234    HE   ARG  35           HE       ARG  35   7.474  12.922   5.123
  235   1HH1  ARG  35          1HH2      ARG  35   9.896  11.787   2.902
  236   2HH1  ARG  35          2HH2      ARG  35   9.283  12.696   1.561
  237   1HH2  ARG  35          2HH1      ARG  35   6.623  14.094   3.348
  238   2HH2  ARG  35          1HH1      ARG  35   7.423  14.007   1.814
  239    H    CYS  36           H        CYS  36  10.621   8.000   2.022
  240    HA   CYS  36           HA       CYS  36  12.951   6.211   2.332
  241   1HB   CYS  36          2HB       CYS  36  10.806   5.673   0.878
  242   2HB   CYS  36          1HB       CYS  36  11.648   6.657  -0.304
  243    H    ASP  37           HN       ASP  37  14.875   7.084   2.028
  244    HA   ASP  37           HA       ASP  37  15.348   9.748   1.350
  245   1HB   ASP  37          2HB       ASP  37  17.021   7.291   1.548
  246   2HB   ASP  37          1HB       ASP  37  17.717   8.708   0.760
   
  No H/Q in entry =         246
  Start of MODEL   18
    1   1H    SER   1          2H        SER   1   6.420   2.996  -9.234
    2   2H    SER   1          1H        SER   1   4.824   3.398  -8.812
    3   3H    SER   1          3H        SER   1   6.117   4.306  -8.195
    4    HA   SER   1           HA       SER   1   6.907   2.426  -6.941
    5   1HB   SER   1          2HB       SER   1   5.461   3.726  -5.643
    6   2HB   SER   1          1HB       SER   1   4.050   3.282  -6.597
    7    HG   SER   1           HG       SER   1   5.473   1.742  -4.683
    8    HA   PRO   2           HA       PRO   2   5.454  -1.264  -9.165
    9   1HB   PRO   2          2HB       PRO   2   7.758  -2.655  -8.892
   10   2HB   PRO   2          1HB       PRO   2   7.489  -1.461 -10.171
   11   1HG   PRO   2          2HG       PRO   2   9.082  -1.234  -7.685
   12   2HG   PRO   2          1HG       PRO   2   9.338  -0.478  -9.265
   13   1HD   PRO   2          2HD       PRO   2   8.253   0.779  -7.035
   14   2HD   PRO   2          1HD       PRO   2   8.108   1.345  -8.711
   15    H    THR   3           H        THR   3   7.483  -1.347  -6.250
   16    HA   THR   3           HA       THR   3   5.498  -2.874  -4.810
   17    HB   THR   3           HB       THR   3   6.975  -4.475  -6.237
   18    HG1  THR   3           HG1      THR   3   5.716  -5.488  -4.834
   19   1HG2  THR   3          1HG2      THR   3   8.820  -3.883  -3.918
   20   2HG2  THR   3          3HG2      THR   3   9.004  -5.225  -5.050
   21   3HG2  THR   3          2HG2      THR   3   9.143  -3.562  -5.623
   22    H    CYS   4           H        CYS   4   8.903  -1.879  -4.845
   23    HA   CYS   4           HA       CYS   4   9.062  -1.574  -2.000
   24   1HB   CYS   4          2HB       CYS   4  11.247  -0.580  -2.475
   25   2HB   CYS   4          1HB       CYS   4  11.034  -2.102  -3.322
   26    H    ILE   5           H        ILE   5   9.425   0.446  -0.892
   27    HA   ILE   5           HA       ILE   5   7.597   2.509  -1.762
   28    HB   ILE   5           HB       ILE   5   9.454   2.396   0.606
   29   1HG1  ILE   5          2HG1      ILE   5   6.690   2.114   1.270
   30   2HG1  ILE   5          1HG1      ILE   5   7.092   0.938   0.020
   31   1HG2  ILE   5          2HG2      ILE   5   8.425   4.650  -0.285
   32   2HG2  ILE   5          1HG2      ILE   5   6.970   4.049   0.513
   33   3HG2  ILE   5          3HG2      ILE   5   8.451   4.289   1.443
   34   1HD1  ILE   5          2HD1      ILE   5   9.177   1.084   2.023
   35   2HD1  ILE   5          1HD1      ILE   5   7.613   0.717   2.754
   36   3HD1  ILE   5          3HD1      ILE   5   8.250  -0.314   1.471
   37    HA   PRO   6           HA       PRO   6  10.975   4.577  -3.870
   38   1HB   PRO   6          2HB       PRO   6   9.426   6.401  -5.139
   39   2HB   PRO   6          1HB       PRO   6   9.655   4.740  -5.708
   40   1HG   PRO   6          2HG       PRO   6   7.343   5.952  -4.298
   41   2HG   PRO   6          1HG       PRO   6   7.376   4.669  -5.520
   42   1HD   PRO   6          2HD       PRO   6   7.062   4.258  -2.802
   43   2HD   PRO   6          1HD       PRO   6   7.615   3.028  -3.954
   44    H    SER   7           H        SER   7  11.910   6.668  -3.809
   45    HA   SER   7           HA       SER   7  12.001   7.913  -1.350
   46   1HB   SER   7          2HB       SER   7  12.543   9.228  -4.012
   47   2HB   SER   7          1HB       SER   7  13.170   9.730  -2.446
   48    HG   SER   7           HG       SER   7  13.660   7.091  -2.992
   49    H    GLY   8           H        GLY   8  10.708   9.236  -0.266
   50   1HA   GLY   8          2HA       GLY   8   9.421  11.292  -0.189
   51   2HA   GLY   8          1HA       GLY   8   8.728  10.855  -1.749
   52    H    GLN   9           H        GLN   9   8.440   8.028  -0.882
   53    HA   GLN   9           HA       GLN   9   5.867   8.324   0.456
   54   1HB   GLN   9          2HB       GLN   9   7.172   6.310  -1.257
   55   2HB   GLN   9          1HB       GLN   9   6.128   5.661   0.006
   56   1HG   GLN   9          2HG       GLN   9   4.444   7.481  -0.854
   57   2HG   GLN   9          1HG       GLN   9   5.428   7.420  -2.316
   58   1HE2  GLN   9          2HE2      GLN   9   4.247   4.314  -3.377
   59   2HE2  GLN   9          1HE2      GLN   9   5.347   5.625  -3.616
   60    HA   PRO  10           HA       PRO  10   7.243   6.836   4.363
   61   1HB   PRO  10          2HB       PRO  10   5.064   5.512   5.267
   62   2HB   PRO  10          1HB       PRO  10   5.151   7.276   5.144
   63   1HG   PRO  10          2HG       PRO  10   3.746   5.333   3.411
   64   2HG   PRO  10          1HG       PRO  10   3.328   7.009   3.803
   65   1HD   PRO  10          2HD       PRO  10   4.514   6.140   1.434
   66   2HD   PRO  10          1HD       PRO  10   4.466   7.814   2.018
   67    H    CYS  11           H        CYS  11   8.405   5.185   5.155
   68    HA   CYS  11           HA       CYS  11   7.912   2.458   4.134
   69   1HB   CYS  11          2HB       CYS  11  10.277   2.085   3.949
   70   2HB   CYS  11          1HB       CYS  11   9.867   3.523   3.025
   71    HA   PRO  12           HA       PRO  12   7.977   1.465   8.451
   72   1HB   PRO  12          2HB       PRO  12   8.099  -1.231   8.249
   73   2HB   PRO  12          1HB       PRO  12   6.630  -0.296   7.925
   74   1HG   PRO  12          2HG       PRO  12   8.505  -1.579   6.030
   75   2HG   PRO  12          1HG       PRO  12   6.764  -1.292   5.880
   76   1HD   PRO  12          2HD       PRO  12   8.770   0.215   4.666
   77   2HD   PRO  12          1HD       PRO  12   7.079   0.713   4.873
   78    H    TYR  13           H        TYR  13  10.252  -0.385   6.419
   79    HA   TYR  13           HA       TYR  13  12.342   0.056   8.462
   80   1HB   TYR  13          2HB       TYR  13  12.424  -2.414   6.816
   81   2HB   TYR  13          1HB       TYR  13  13.009  -2.132   8.449
   82    HD1  TYR  13           HD1      TYR  13  11.416  -2.150  10.350
   83    HD2  TYR  13           HD2      TYR  13  10.235  -3.213   6.390
   84    HE1  TYR  13           HE1      TYR  13   9.392  -3.235  11.243
   85    HE2  TYR  13           HE2      TYR  13   8.212  -4.297   7.286
   86    HH   TYR  13           HH       TYR  13   7.554  -4.373  10.774
   87    H    ASN  14           H        ASN  14  14.539  -0.084   7.580
   88    HA   ASN  14           HA       ASN  14  14.809   1.407   5.170
   89   1HB   ASN  14          2HB       ASN  14  17.024  -0.096   6.546
   90   2HB   ASN  14          1HB       ASN  14  17.122   1.397   5.622
   91   1HD2  ASN  14          2HD2      ASN  14  17.355   2.547   8.994
   92   2HD2  ASN  14          1HD2      ASN  14  18.298   1.806   7.760
   93    H    GLU  15           H        GLU  15  14.183  -1.822   5.685
   94    HA   GLU  15           HA       GLU  15  15.704  -2.806   3.388
   95   1HB   GLU  15          2HB       GLU  15  14.959  -3.936   5.804
   96   2HB   GLU  15          1HB       GLU  15  13.853  -4.670   4.644
   97   1HG   GLU  15          2HG       GLU  15  15.785  -5.316   3.240
   98   2HG   GLU  15          1HG       GLU  15  16.873  -4.624   4.443
   99    H    ASN  16           H        ASN  16  12.656  -1.505   4.080
  100    HA   ASN  16           HA       ASN  16  11.371  -2.882   1.821
  101   1HB   ASN  16          2HB       ASN  16  10.341  -2.478   4.227
  102   2HB   ASN  16          1HB       ASN  16   9.914  -0.919   3.522
  103   1HD2  ASN  16          2HD2      ASN  16   6.999  -2.604   2.496
  104   2HD2  ASN  16          1HD2      ASN  16   7.696  -1.532   3.656
  105    H    CYS  17           H        CYS  17  13.349  -0.394   2.076
  106    HA   CYS  17           HA       CYS  17  11.805   1.557   0.542
  107   1HB   CYS  17          2HB       CYS  17  14.119   1.637   2.252
  108   2HB   CYS  17          1HB       CYS  17  14.487   2.363   0.695
  109    H    CYS  18           H        CYS  18  12.276   2.159  -1.555
  110    HA   CYS  18           HA       CYS  18  13.151   0.179  -3.337
  111   1HB   CYS  18          2HB       CYS  18  12.759   3.149  -3.610
  112   2HB   CYS  18          1HB       CYS  18  13.285   2.153  -4.955
  113    H    SER  19           H        SER  19  14.767   2.909  -1.848
  114    HA   SER  19           HA       SER  19  17.277   2.324  -3.196
  115   1HB   SER  19          2HB       SER  19  17.984   4.413  -2.533
  116   2HB   SER  19          1HB       SER  19  16.247   4.679  -2.631
  117    HG   SER  19           HG       SER  19  16.851   5.427  -0.637
  118    H    GLN  20           H        GLN  20  15.625   1.376  -0.437
  119    HA   GLN  20           HA       GLN  20  16.247  -0.058   1.254
  120   1HB   GLN  20          2HB       GLN  20  18.394  -0.258  -0.551
  121   2HB   GLN  20          1HB       GLN  20  19.101  -0.007   1.041
  122   1HG   GLN  20          2HG       GLN  20  18.692  -2.422   0.412
  123   2HG   GLN  20          1HG       GLN  20  17.975  -1.911   1.940
  124   1HE2  GLN  20          2HE2      GLN  20  15.648  -3.039  -1.195
  125   2HE2  GLN  20          1HE2      GLN  20  17.362  -2.877  -1.333
  126    H    SER  21           H        SER  21  16.803   3.090   0.971
  127    HA   SER  21           HA       SER  21  18.094   3.335   3.617
  128   1HB   SER  21          2HB       SER  21  18.270   4.960   1.127
  129   2HB   SER  21          1HB       SER  21  18.370   5.794   2.670
  130    HG   SER  21           HG       SER  21  20.006   4.043   3.158
  131    H    CYS  22           H        CYS  22  16.508   3.570   5.086
  132    HA   CYS  22           HA       CYS  22  14.165   5.229   4.427
  133   1HB   CYS  22          2HB       CYS  22  14.699   3.035   6.372
  134   2HB   CYS  22          1HB       CYS  22  13.487   4.237   6.780
  135    H    THR  23           H        THR  23  13.607   7.000   5.685
  136    HA   THR  23           HA       THR  23  15.509   7.818   7.784
  137    HB   THR  23           HB       THR  23  16.321   9.149   6.101
  138    HG1  THR  23           HG1      THR  23  15.872  10.882   7.188
  139   1HG2  THR  23          2HG2      THR  23  14.639   8.308   4.437
  140   2HG2  THR  23          1HG2      THR  23  13.552   9.586   4.989
  141   3HG2  THR  23          3HG2      THR  23  15.093  10.002   4.236
  142    H    PHE  24           H        PHE  24  14.577   9.913   8.856
  143    HA   PHE  24           HA       PHE  24  11.690   9.492   9.341
  144   1HB   PHE  24          2HB       PHE  24  13.925   9.466  11.131
  145   2HB   PHE  24          1HB       PHE  24  12.874  10.813  11.538
  146    HD1  PHE  24           HD1      PHE  24  10.329  10.245  11.703
  147    HD2  PHE  24           HD2      PHE  24  13.468   7.365  11.960
  148    HE1  PHE  24           HE1      PHE  24   8.814   8.698  12.878
  149    HE2  PHE  24           HE2      PHE  24  11.953   5.817  13.135
  150    HZ   PHE  24           HZ       PHE  24   9.624   6.484  13.594
  151    H    LYS  25           H        LYS  25  10.536  11.142   8.577
  152    HA   LYS  25           HA       LYS  25  11.747  13.834   8.497
  153   1HB   LYS  25          2HB       LYS  25  10.667  12.498   6.439
  154   2HB   LYS  25          1HB       LYS  25   9.208  13.257   7.071
  155   1HG   LYS  25          2HG       LYS  25  11.586  15.005   6.806
  156   2HG   LYS  25          1HG       LYS  25  10.852  14.454   5.302
  157   1HD   LYS  25          2HD       LYS  25   8.685  15.331   6.016
  158   2HD   LYS  25          1HD       LYS  25   9.379  15.832   7.556
  159   1HE   LYS  25          2HE       LYS  25  10.911  17.350   6.346
  160   2HE   LYS  25          1HE       LYS  25  10.166  16.870   4.825
  161   1HZ   LYS  25          3HZ       LYS  25   8.237  17.708   6.753
  162   2HZ   LYS  25          2HZ       LYS  25   9.380  18.925   6.437
  163   3HZ   LYS  25          1HZ       LYS  25   8.480  18.248   5.164
  164    H    GLU  26           H        GLU  26  10.475  15.631   9.186
  165    HA   GLU  26           HA       GLU  26   8.620  14.941  11.323
  166   1HB   GLU  26          2HB       GLU  26  10.667  16.596  11.429
  167   2HB   GLU  26          1HB       GLU  26   9.490  17.735  10.782
  168   1HG   GLU  26          2HG       GLU  26   8.657  18.019  12.840
  169   2HG   GLU  26          1HG       GLU  26   8.225  16.310  12.889
  170    H    ASN  27           H        ASN  27   6.515  15.546  11.373
  171    HA   ASN  27           HA       ASN  27   5.383  16.618   8.887
  172   1HB   ASN  27          2HB       ASN  27   3.386  15.823  10.784
  173   2HB   ASN  27          1HB       ASN  27   3.742  15.140   9.203
  174   1HD2  ASN  27          2HD2      ASN  27   4.349  12.856  12.287
  175   2HD2  ASN  27          1HD2      ASN  27   3.188  14.122  12.096
  176    H    GLU  28           H        GLU  28   3.146  17.776   9.516
  177    HA   GLU  28           HA       GLU  28   3.940  20.126  11.028
  178   1HB   GLU  28          2HB       GLU  28   2.848  20.212   8.732
  179   2HB   GLU  28          1HB       GLU  28   1.360  19.713   9.534
  180   1HG   GLU  28          2HG       GLU  28   1.204  22.053   9.492
  181   2HG   GLU  28          1HG       GLU  28   1.795  21.711  11.119
  182    H    ASN  29           H        ASN  29   2.136  17.274  11.428
  183    HA   ASN  29           HA       ASN  29   0.175  18.191  13.280
  184   1HB   ASN  29          2HB       ASN  29   0.373  15.951  11.911
  185   2HB   ASN  29          1HB       ASN  29   1.241  15.401  13.344
  186   1HD2  ASN  29          2HD2      ASN  29  -1.842  14.537  14.720
  187   2HD2  ASN  29          1HD2      ASN  29  -0.281  14.036  14.172
  188    H    GLY  30           H        GLY  30   3.522  17.778  13.492
  189   1HA   GLY  30          2HA       GLY  30   4.814  18.480  15.334
  190   2HA   GLY  30          1HA       GLY  30   3.437  18.158  16.384
  191    H    ASN  31           H        ASN  31   4.193  15.797  14.017
  192    HA   ASN  31           HA       ASN  31   5.491  14.095  16.055
  193   1HB   ASN  31          2HB       ASN  31   3.188  13.592  14.248
  194   2HB   ASN  31          1HB       ASN  31   4.333  12.272  14.476
  195   1HD2  ASN  31          2HD2      ASN  31   1.789  13.371  17.430
  196   2HD2  ASN  31          1HD2      ASN  31   1.874  14.201  15.918
  197    H    THR  32           H        THR  32   6.282  12.003  14.604
  198    HA   THR  32           HA       THR  32   7.665  13.009  12.222
  199    HB   THR  32           HB       THR  32   9.082  13.217  14.358
  200    HG1  THR  32           HG1      THR  32  10.157  13.415  12.483
  201   1HG2  THR  32          3HG2      THR  32   9.117  10.229  13.945
  202   2HG2  THR  32          2HG2      THR  32  10.327  11.103  14.885
  203   3HG2  THR  32          1HG2      THR  32   8.638  11.107  15.398
  204    H    VAL  33           H        VAL  33   7.669  11.583  10.618
  205    HA   VAL  33           HA       VAL  33   7.010   8.766  11.228
  206    HB   VAL  33           HB       VAL  33   6.475   9.913   8.541
  207   1HG1  VAL  33          1HG1      VAL  33   5.656   7.639  10.167
  208   2HG1  VAL  33          3HG1      VAL  33   4.297   8.450   9.387
  209   3HG1  VAL  33          2HG1      VAL  33   5.639   7.843   8.414
  210   1HG2  VAL  33          3HG2      VAL  33   5.191  10.852  11.028
  211   2HG2  VAL  33          2HG2      VAL  33   5.317  11.634   9.450
  212   3HG2  VAL  33          1HG2      VAL  33   4.089  10.397   9.726
  213    H    LYS  34           H        LYS  34   7.619   7.471   9.032
  214    HA   LYS  34           HA       LYS  34  10.426   8.189   8.448
  215   1HB   LYS  34          2HB       LYS  34   9.125   5.627   9.187
  216   2HB   LYS  34          1HB       LYS  34  10.402   5.556   7.976
  217   1HG   LYS  34          2HG       LYS  34  12.012   6.414   9.453
  218   2HG   LYS  34          1HG       LYS  34  10.791   7.058  10.547
  219   1HD   LYS  34          2HD       LYS  34  11.154   4.102  10.055
  220   2HD   LYS  34          1HD       LYS  34  11.996   4.967  11.339
  221   1HE   LYS  34          2HE       LYS  34  10.198   4.814  12.653
  222   2HE   LYS  34          1HE       LYS  34   9.222   5.646  11.447
  223   1HZ   LYS  34          2HZ       LYS  34   9.407   3.189  10.401
  224   2HZ   LYS  34          1HZ       LYS  34   9.402   2.830  12.062
  225   3HZ   LYS  34          3HZ       LYS  34   8.125   3.716  11.384
  226    H    ARG  35           H        ARG  35  10.884   8.537   6.372
  227    HA   ARG  35           HA       ARG  35   8.988   7.572   4.320
  228   1HB   ARG  35          2HB       ARG  35  10.699  10.062   4.341
  229   2HB   ARG  35          1HB       ARG  35   9.727   9.522   2.973
  230   1HG   ARG  35          2HG       ARG  35   7.695   9.814   4.196
  231   2HG   ARG  35          1HG       ARG  35   8.566  10.055   5.708
  232   1HD   ARG  35          2HD       ARG  35   9.005  12.235   5.252
  233   2HD   ARG  35          1HD       ARG  35   9.284  11.923   3.539
  234    HE   ARG  35           HE       ARG  35   6.539  11.600   4.076
  235   1HH1  ARG  35          1HH2      ARG  35   9.019  14.033   3.867
  236   2HH1  ARG  35          2HH2      ARG  35   7.916  15.315   3.494
  237   1HH2  ARG  35          2HH1      ARG  35   5.066  13.295   3.631
  238   2HH2  ARG  35          1HH1      ARG  35   5.669  14.896   3.360
  239    H    CYS  36           H        CYS  36  10.411   7.997   2.069
  240    HA   CYS  36           HA       CYS  36  12.708   6.168   2.386
  241   1HB   CYS  36          2HB       CYS  36  10.565   5.641   0.952
  242   2HB   CYS  36          1HB       CYS  36  11.371   6.648  -0.234
  243    H    ASP  37           HN       ASP  37  14.645   6.965   2.041
  244    HA   ASP  37           HA       ASP  37  15.387   9.525   1.556
  245   1HB   ASP  37          2HB       ASP  37  16.679   6.891   1.081
  246   2HB   ASP  37          1HB       ASP  37  17.447   8.310   0.371
   
  No H/Q in entry =         246
  Start of MODEL   19
    1   1H    SER   1          3H        SER   1  -1.708  -2.775  -4.446
    2   2H    SER   1          2H        SER   1  -2.496  -3.246  -3.017
    3   3H    SER   1          1H        SER   1  -1.832  -1.689  -3.150
    4    HA   SER   1           HA       SER   1  -0.233  -2.706  -1.916
    5   1HB   SER   1          2HB       SER   1   0.516  -5.068  -2.442
    6   2HB   SER   1          1HB       SER   1  -1.109  -4.906  -1.785
    7    HG   SER   1           HG       SER   1  -1.559  -4.747  -4.276
    8    HA   PRO   2           HA       PRO   2   2.262  -1.394  -5.500
    9   1HB   PRO   2          2HB       PRO   2   3.617   0.543  -4.185
   10   2HB   PRO   2          1HB       PRO   2   2.017   0.790  -4.901
   11   1HG   PRO   2          2HG       PRO   2   2.781   0.440  -2.065
   12   2HG   PRO   2          1HG       PRO   2   1.436   1.351  -2.770
   13   1HD   PRO   2          2HD       PRO   2   1.256  -1.165  -1.572
   14   2HD   PRO   2          1HD       PRO   2   0.031  -0.416  -2.615
   15    H    THR   3           H        THR   3   4.709  -1.081  -5.640
   16    HA   THR   3           HA       THR   3   5.985  -3.326  -4.328
   17    HB   THR   3           HB       THR   3   6.254  -2.565  -6.776
   18    HG1  THR   3           HG1      THR   3   7.653  -4.096  -6.410
   19   1HG2  THR   3          2HG2      THR   3   7.080  -0.219  -5.628
   20   2HG2  THR   3          1HG2      THR   3   8.612  -1.006  -6.011
   21   3HG2  THR   3          3HG2      THR   3   7.426  -0.717  -7.285
   22    H    CYS   4           H        CYS   4   8.645  -2.123  -4.354
   23    HA   CYS   4           HA       CYS   4   9.000  -1.436  -1.729
   24   1HB   CYS   4          2HB       CYS   4  11.122  -0.451  -2.403
   25   2HB   CYS   4          1HB       CYS   4  10.830  -1.952  -3.264
   26    H    ILE   5           H        ILE   5   9.366   0.554  -0.639
   27    HA   ILE   5           HA       ILE   5   7.489   2.626  -1.379
   28    HB   ILE   5           HB       ILE   5   9.445   2.375   0.901
   29   1HG1  ILE   5          2HG1      ILE   5   6.946   2.277   1.975
   30   2HG1  ILE   5          1HG1      ILE   5   6.681   1.476   0.428
   31   1HG2  ILE   5          3HG2      ILE   5   8.417   4.727   0.014
   32   2HG2  ILE   5          2HG2      ILE   5   7.169   4.223   1.155
   33   3HG2  ILE   5          1HG2      ILE   5   8.840   4.396   1.695
   34   1HD1  ILE   5          3HD1      ILE   5   8.993   0.714   2.199
   35   2HD1  ILE   5          2HD1      ILE   5   7.388   0.017   2.436
   36   3HD1  ILE   5          1HD1      ILE   5   8.237  -0.222   0.907
   37    HA   PRO   6           HA       PRO   6  10.776   4.669  -3.711
   38   1HB   PRO   6          2HB       PRO   6   9.167   6.549  -4.824
   39   2HB   PRO   6          1HB       PRO   6   9.330   4.901  -5.452
   40   1HG   PRO   6          2HG       PRO   6   7.174   6.073  -3.760
   41   2HG   PRO   6          1HG       PRO   6   7.050   4.929  -5.110
   42   1HD   PRO   6          2HD       PRO   6   6.902   4.161  -2.506
   43   2HD   PRO   6          1HD       PRO   6   7.539   3.113  -3.791
   44    H    SER   7           H        SER   7  11.723   6.767  -3.668
   45    HA   SER   7           HA       SER   7  11.978   7.960  -1.185
   46   1HB   SER   7          2HB       SER   7  12.984   9.875  -2.415
   47   2HB   SER   7          1HB       SER   7  13.623   8.308  -2.896
   48    HG   SER   7           HG       SER   7  11.417   9.368  -4.283
   49    H    GLY   8           H        GLY   8  10.740   9.266  -0.004
   50   1HA   GLY   8          2HA       GLY   8   9.471  11.314   0.213
   51   2HA   GLY   8          1HA       GLY   8   8.741  10.972  -1.355
   52    H    GLN   9           H        GLN   9   8.439   8.100  -0.597
   53    HA   GLN   9           HA       GLN   9   5.876   8.369   0.765
   54   1HB   GLN   9          2HB       GLN   9   6.924   6.687  -1.255
   55   2HB   GLN   9          1HB       GLN   9   6.534   5.659   0.121
   56   1HG   GLN   9          2HG       GLN   9   4.381   5.749  -0.475
   57   2HG   GLN   9          1HG       GLN   9   4.393   7.482  -0.147
   58   1HE2  GLN   9          2HE2      GLN   9   5.032   8.359  -3.584
   59   2HE2  GLN   9          1HE2      GLN   9   5.522   8.765  -1.978
   60    HA   PRO  10           HA       PRO  10   7.267   6.751   4.617
   61   1HB   PRO  10          2HB       PRO  10   5.057   5.470   5.510
   62   2HB   PRO  10          1HB       PRO  10   5.198   7.233   5.434
   63   1HG   PRO  10          2HG       PRO  10   3.715   5.381   3.665
   64   2HG   PRO  10          1HG       PRO  10   3.352   7.057   4.108
   65   1HD   PRO  10          2HD       PRO  10   4.484   6.222   1.703
   66   2HD   PRO  10          1HD       PRO  10   4.495   7.880   2.335
   67    H    CYS  11           H        CYS  11   8.569   5.110   5.097
   68    HA   CYS  11           HA       CYS  11   7.944   2.411   4.064
   69   1HB   CYS  11          2HB       CYS  11  10.318   2.001   3.929
   70   2HB   CYS  11          1HB       CYS  11   9.930   3.459   3.026
   71    HA   PRO  12           HA       PRO  12   7.955   1.160   8.311
   72   1HB   PRO  12          2HB       PRO  12   8.164  -1.517   7.973
   73   2HB   PRO  12          1HB       PRO  12   6.678  -0.608   7.649
   74   1HG   PRO  12          2HG       PRO  12   8.648  -1.738   5.753
   75   2HG   PRO  12          1HG       PRO  12   6.905  -1.486   5.559
   76   1HD   PRO  12          2HD       PRO  12   8.915   0.135   4.499
   77   2HD   PRO  12          1HD       PRO  12   7.203   0.572   4.662
   78    H    TYR  13           H        TYR  13  10.327  -0.560   6.276
   79    HA   TYR  13           HA       TYR  13  12.364  -0.113   8.370
   80   1HB   TYR  13          2HB       TYR  13  12.534  -2.564   6.700
   81   2HB   TYR  13          1HB       TYR  13  13.073  -2.288   8.350
   82    HD1  TYR  13           HD1      TYR  13  10.986  -1.718   9.997
   83    HD2  TYR  13           HD2      TYR  13  10.827  -4.049   6.428
   84    HE1  TYR  13           HE1      TYR  13   8.963  -2.857  10.829
   85    HE2  TYR  13           HE2      TYR  13   8.805  -5.185   7.260
   86    HH   TYR  13           HH       TYR  13   6.960  -4.709   8.875
   87    H    ASN  14           H        ASN  14  14.580  -0.210   7.523
   88    HA   ASN  14           HA       ASN  14  14.864   1.315   5.133
   89   1HB   ASN  14          2HB       ASN  14  17.086  -0.176   6.509
   90   2HB   ASN  14          1HB       ASN  14  17.166   1.338   5.620
   91   1HD2  ASN  14          2HD2      ASN  14  17.362   2.426   9.011
   92   2HD2  ASN  14          1HD2      ASN  14  18.321   1.733   7.763
   93    H    GLU  15           H        GLU  15  14.277  -1.930   5.609
   94    HA   GLU  15           HA       GLU  15  15.825  -2.854   3.299
   95   1HB   GLU  15          2HB       GLU  15  15.196  -4.022   5.715
   96   2HB   GLU  15          1HB       GLU  15  14.050  -4.772   4.608
   97   1HG   GLU  15          2HG       GLU  15  15.838  -5.516   3.165
   98   2HG   GLU  15          1HG       GLU  15  17.029  -4.616   4.107
   99    H    ASN  16           H        ASN  16  12.767  -1.620   3.998
  100    HA   ASN  16           HA       ASN  16  11.514  -3.040   1.738
  101   1HB   ASN  16          2HB       ASN  16  10.498  -2.799   4.173
  102   2HB   ASN  16          1HB       ASN  16   9.958  -1.245   3.536
  103   1HD2  ASN  16          2HD2      ASN  16   7.144  -3.054   2.457
  104   2HD2  ASN  16          1HD2      ASN  16   7.787  -1.968   3.637
  105    H    CYS  17           H        CYS  17  13.356  -0.488   1.994
  106    HA   CYS  17           HA       CYS  17  11.654   1.446   0.605
  107   1HB   CYS  17          2HB       CYS  17  13.996   1.592   2.253
  108   2HB   CYS  17          1HB       CYS  17  14.317   2.358   0.704
  109    H    CYS  18           H        CYS  18  12.059   2.191  -1.481
  110    HA   CYS  18           HA       CYS  18  12.924   0.311  -3.373
  111   1HB   CYS  18          2HB       CYS  18  12.509   3.291  -3.513
  112   2HB   CYS  18          1HB       CYS  18  12.950   2.329  -4.913
  113    H    SER  19           H        SER  19  14.533   3.017  -1.828
  114    HA   SER  19           HA       SER  19  17.013   2.525  -3.263
  115   1HB   SER  19          2HB       SER  19  17.695   4.607  -2.564
  116   2HB   SER  19          1HB       SER  19  15.950   4.837  -2.590
  117    HG   SER  19           HG       SER  19  15.912   4.548  -0.366
  118    H    GLN  20           H        GLN  20  15.465   1.471  -0.476
  119    HA   GLN  20           HA       GLN  20  16.165   0.002   1.154
  120   1HB   GLN  20          2HB       GLN  20  18.223  -0.153  -0.744
  121   2HB   GLN  20          1HB       GLN  20  19.013   0.102   0.809
  122   1HG   GLN  20          2HG       GLN  20  18.666  -2.305   0.268
  123   2HG   GLN  20          1HG       GLN  20  17.875  -1.808   1.764
  124   1HE2  GLN  20          2HE2      GLN  20  15.722  -3.159  -1.385
  125   2HE2  GLN  20          1HE2      GLN  20  17.441  -2.993  -1.431
  126    H    SER  21           H        SER  21  16.659   3.158   0.951
  127    HA   SER  21           HA       SER  21  18.065   3.341   3.543
  128   1HB   SER  21          2HB       SER  21  18.153   5.013   1.085
  129   2HB   SER  21          1HB       SER  21  18.274   5.834   2.635
  130    HG   SER  21           HG       SER  21  20.201   4.602   1.352
  131    H    CYS  22           H        CYS  22  16.489   3.466   5.050
  132    HA   CYS  22           HA       CYS  22  14.139   5.160   4.539
  133   1HB   CYS  22          2HB       CYS  22  14.738   2.902   6.393
  134   2HB   CYS  22          1HB       CYS  22  13.511   4.071   6.851
  135    H    THR  23           H        THR  23  13.634   6.894   5.844
  136    HA   THR  23           HA       THR  23  15.537   7.620   7.973
  137    HB   THR  23           HB       THR  23  16.379   8.944   6.268
  138    HG1  THR  23           HG1      THR  23  16.094  10.627   7.483
  139   1HG2  THR  23          3HG2      THR  23  14.595   8.316   4.634
  140   2HG2  THR  23          2HG2      THR  23  13.582   9.583   5.329
  141   3HG2  THR  23          1HG2      THR  23  15.099  10.005   4.533
  142    H    PHE  24           H        PHE  24  14.627   9.684   9.116
  143    HA   PHE  24           HA       PHE  24  11.728   9.288   9.539
  144   1HB   PHE  24          2HB       PHE  24  13.923   9.185  11.357
  145   2HB   PHE  24          1HB       PHE  24  12.927  10.573  11.766
  146    HD1  PHE  24           HD2      PHE  24  10.310  10.041  11.739
  147    HD2  PHE  24           HD1      PHE  24  13.415   7.171  12.323
  148    HE1  PHE  24           HE2      PHE  24   8.714   8.544  12.875
  149    HE2  PHE  24           HE1      PHE  24  11.821   5.678  13.464
  150    HZ   PHE  24           HZ       PHE  24   9.470   6.364  13.740
  151    H    LYS  25           H        LYS  25  10.616  10.942   8.728
  152    HA   LYS  25           HA       LYS  25  11.811  13.643   8.773
  153   1HB   LYS  25          2HB       LYS  25  10.736  12.268   6.660
  154   2HB   LYS  25          1HB       LYS  25   9.369  13.242   7.197
  155   1HG   LYS  25          2HG       LYS  25  12.053  14.529   6.887
  156   2HG   LYS  25          1HG       LYS  25  11.083  14.205   5.452
  157   1HD   LYS  25          2HD       LYS  25   9.243  15.338   7.140
  158   2HD   LYS  25          1HD       LYS  25  10.712  16.213   7.561
  159   1HE   LYS  25          2HE       LYS  25  10.047  15.836   4.674
  160   2HE   LYS  25          1HE       LYS  25   9.150  17.039   5.596
  161   1HZ   LYS  25          3HZ       LYS  25  12.106  16.940   5.576
  162   2HZ   LYS  25          2HZ       LYS  25  11.219  17.822   4.426
  163   3HZ   LYS  25          1HZ       LYS  25  11.102  18.213   6.075
  164    H    GLU  26           H        GLU  26  10.378  15.429   9.304
  165    HA   GLU  26           HA       GLU  26   8.345  14.637  11.261
  166   1HB   GLU  26          2HB       GLU  26  10.453  16.095  11.812
  167   2HB   GLU  26          1HB       GLU  26   9.479  17.390  11.123
  168   1HG   GLU  26          2HG       GLU  26   7.763  17.091  12.750
  169   2HG   GLU  26          1HG       GLU  26   8.455  15.562  13.295
  170    H    ASN  27           H        ASN  27   6.286  15.345  11.100
  171    HA   ASN  27           HA       ASN  27   5.514  16.672   8.615
  172   1HB   ASN  27          2HB       ASN  27   3.334  16.010  10.416
  173   2HB   ASN  27          1HB       ASN  27   3.620  15.486   8.763
  174   1HD2  ASN  27          2HD2      ASN  27   3.953  12.821  11.595
  175   2HD2  ASN  27          1HD2      ASN  27   2.991  14.257  11.598
  176    H    GLU  28           H        GLU  28   3.243  17.938   9.248
  177    HA   GLU  28           HA       GLU  28   4.188  20.246  10.738
  178   1HB   GLU  28          2HB       GLU  28   3.144  20.519   8.499
  179   2HB   GLU  28          1HB       GLU  28   1.637  19.892   9.164
  180   1HG   GLU  28          2HG       GLU  28   1.108  21.897  10.010
  181   2HG   GLU  28          1HG       GLU  28   2.665  22.015  10.831
  182    H    ASN  29           H        ASN  29   2.196  17.513  11.143
  183    HA   ASN  29           HA       ASN  29   0.335  18.550  13.034
  184   1HB   ASN  29          2HB       ASN  29   0.319  16.321  11.655
  185   2HB   ASN  29          1HB       ASN  29   1.214  15.689  13.040
  186   1HD2  ASN  29          2HD2      ASN  29  -1.938  14.967  14.394
  187   2HD2  ASN  29          1HD2      ASN  29  -0.496  14.349  13.669
  188    H    GLY  30           H        GLY  30   3.647  17.903  13.188
  189   1HA   GLY  30          2HA       GLY  30   5.016  18.499  15.011
  190   2HA   GLY  30          1HA       GLY  30   3.636  18.268  16.081
  191    H    ASN  31           H        ASN  31   4.028  15.828  13.752
  192    HA   ASN  31           HA       ASN  31   5.180  14.022  15.783
  193   1HB   ASN  31          2HB       ASN  31   3.121  13.651  13.639
  194   2HB   ASN  31          1HB       ASN  31   4.061  12.276  14.206
  195   1HD2  ASN  31          2HD2      ASN  31   1.021  12.423  16.274
  196   2HD2  ASN  31          1HD2      ASN  31   1.418  12.166  14.612
  197    H    THR  32           H        THR  32   6.104  11.983  14.513
  198    HA   THR  32           HA       THR  32   7.634  12.848  12.168
  199    HB   THR  32           HB       THR  32   8.872  13.156  14.449
  200    HG1  THR  32           HG1      THR  32  10.087  13.476  12.707
  201   1HG2  THR  32          2HG2      THR  32   8.347  10.813  15.195
  202   2HG2  THR  32          1HG2      THR  32   9.446  10.238  13.940
  203   3HG2  THR  32          3HG2      THR  32  10.057  11.243  15.256
  204    H    VAL  33           H        VAL  33   7.645  11.336  10.652
  205    HA   VAL  33           HA       VAL  33   7.092   8.537  11.428
  206    HB   VAL  33           HB       VAL  33   6.420   9.514   8.704
  207   1HG1  VAL  33          3HG1      VAL  33   5.750   7.299  10.483
  208   2HG1  VAL  33          2HG1      VAL  33   4.344   7.995   9.672
  209   3HG1  VAL  33          1HG1      VAL  33   5.705   7.394   8.721
  210   1HG2  VAL  33          2HG2      VAL  33   4.927  10.275  11.202
  211   2HG2  VAL  33          1HG2      VAL  33   5.395  11.295   9.839
  212   3HG2  VAL  33          3HG2      VAL  33   4.099  10.111   9.652
  213    H    LYS  34           H        LYS  34   7.697   7.153   9.286
  214    HA   LYS  34           HA       LYS  34  10.478   7.926   8.651
  215   1HB   LYS  34          2HB       LYS  34   9.198   5.356   9.365
  216   2HB   LYS  34          1HB       LYS  34  10.422   5.291   8.099
  217   1HG   LYS  34          2HG       LYS  34  12.088   6.188   9.526
  218   2HG   LYS  34          1HG       LYS  34  10.898   6.696  10.720
  219   1HD   LYS  34          2HD       LYS  34  11.120   4.739  11.779
  220   2HD   LYS  34          1HD       LYS  34  10.594   3.892  10.328
  221   1HE   LYS  34          2HE       LYS  34  12.771   3.064  11.027
  222   2HE   LYS  34          1HE       LYS  34  12.917   3.915   9.492
  223   1HZ   LYS  34          3HZ       LYS  34  13.548   5.911  10.869
  224   2HZ   LYS  34          2HZ       LYS  34  13.707   4.848  12.186
  225   3HZ   LYS  34          1HZ       LYS  34  14.685   4.653  10.810
  226    H    ARG  35           H        ARG  35  10.836   8.465   6.610
  227    HA   ARG  35           HA       ARG  35   8.982   7.500   4.521
  228   1HB   ARG  35          2HB       ARG  35  10.617  10.031   4.714
  229   2HB   ARG  35          1HB       ARG  35   9.796   9.514   3.242
  230   1HG   ARG  35          2HG       ARG  35   7.657   9.722   4.241
  231   2HG   ARG  35          1HG       ARG  35   8.340   9.828   5.861
  232   1HD   ARG  35          2HD       ARG  35   9.124  12.025   5.508
  233   2HD   ARG  35          1HD       ARG  35   8.953  11.894   3.759
  234    HE   ARG  35           HE       ARG  35   6.426  11.567   4.991
  235   1HH1  ARG  35          1HH2      ARG  35   8.837  13.926   4.137
  236   2HH1  ARG  35          2HH2      ARG  35   7.731  15.260   4.158
  237   1HH2  ARG  35          2HH1      ARG  35   4.970  13.332   5.099
  238   2HH2  ARG  35          1HH1      ARG  35   5.534  14.922   4.705
  239    H    CYS  36           H        CYS  36  10.392   8.009   2.285
  240    HA   CYS  36           HA       CYS  36  12.729   6.226   2.553
  241   1HB   CYS  36          2HB       CYS  36  10.591   5.677   1.115
  242   2HB   CYS  36          1HB       CYS  36  11.378   6.715  -0.056
  243    H    ASP  37           HN       ASP  37  14.641   6.751   1.594
  244    HA   ASP  37           HA       ASP  37  15.345   9.460   1.379
  245   1HB   ASP  37          2HB       ASP  37  16.659   6.856   0.783
  246   2HB   ASP  37          1HB       ASP  37  17.384   8.315   0.109
   
  No H/Q in entry =         246
  Start of MODEL   20
    1   1H    SER   1          2H        SER   1   1.471   2.136  -7.795
    2   2H    SER   1          1H        SER   1   1.128   1.822  -9.429
    3   3H    SER   1          3H        SER   1   0.515   0.799  -8.224
    4    HA   SER   1           HA       SER   1   2.371  -0.242  -9.317
    5   1HB   SER   1          2HB       SER   1   3.647   1.586 -10.109
    6   2HB   SER   1          1HB       SER   1   3.761   2.303  -8.506
    7    HG   SER   1           HG       SER   1   5.679   1.120  -9.258
    8    HA   PRO   2           HA       PRO   2   2.455  -1.440  -4.939
    9   1HB   PRO   2          2HB       PRO   2   1.995  -4.069  -5.374
   10   2HB   PRO   2          1HB       PRO   2   0.707  -2.856  -5.298
   11   1HG   PRO   2          2HG       PRO   2   1.852  -4.241  -7.642
   12   2HG   PRO   2          1HG       PRO   2   0.227  -3.584  -7.398
   13   1HD   PRO   2          2HD       PRO   2   2.293  -2.392  -8.875
   14   2HD   PRO   2          1HD       PRO   2   0.788  -1.612  -8.350
   15    H    THR   3           H        THR   3   4.825  -0.827  -5.561
   16    HA   THR   3           HA       THR   3   6.459  -3.283  -5.409
   17    HB   THR   3           HB       THR   3   6.543  -1.947  -7.607
   18    HG1  THR   3           HG1      THR   3   8.294  -3.083  -7.718
   19   1HG2  THR   3          3HG2      THR   3   6.766   0.241  -6.201
   20   2HG2  THR   3          2HG2      THR   3   8.477  -0.186  -6.155
   21   3HG2  THR   3          1HG2      THR   3   7.672   0.071  -7.705
   22    H    CYS   4           H        CYS   4   8.897  -1.766  -5.059
   23    HA   CYS   4           HA       CYS   4   8.916  -1.475  -2.267
   24   1HB   CYS   4          2HB       CYS   4  11.128  -0.459  -2.601
   25   2HB   CYS   4          1HB       CYS   4  10.935  -1.940  -3.523
   26    H    ILE   5           H        ILE   5   9.365   0.500  -1.048
   27    HA   ILE   5           HA       ILE   5   7.524   2.606  -1.764
   28    HB   ILE   5           HB       ILE   5   9.453   2.429   0.543
   29   1HG1  ILE   5          2HG1      ILE   5   6.609   1.466   0.237
   30   2HG1  ILE   5          1HG1      ILE   5   8.035   0.498   0.596
   31   1HG2  ILE   5          1HG2      ILE   5   8.333   4.666  -0.136
   32   2HG2  ILE   5          3HG2      ILE   5   6.860   3.938   0.507
   33   3HG2  ILE   5          2HG2      ILE   5   8.265   4.160   1.553
   34   1HD1  ILE   5          3HD1      ILE   5   7.503   2.710   2.479
   35   2HD1  ILE   5          2HD1      ILE   5   6.310   1.409   2.479
   36   3HD1  ILE   5          1HD1      ILE   5   8.010   1.050   2.795
   37    HA   PRO   6           HA       PRO   6  10.815   4.831  -3.816
   38   1HB   PRO   6          2HB       PRO   6   9.252   6.778  -4.861
   39   2HB   PRO   6          1HB       PRO   6   9.408   5.161  -5.564
   40   1HG   PRO   6          2HG       PRO   6   7.192   6.321  -3.983
   41   2HG   PRO   6          1HG       PRO   6   7.148   5.098  -5.262
   42   1HD   PRO   6          2HD       PRO   6   6.973   4.591  -2.529
   43   2HD   PRO   6          1HD       PRO   6   7.362   3.391  -3.775
   44    H    SER   7           H        SER   7  11.798   6.896  -3.649
   45    HA   SER   7           HA       SER   7  12.027   7.954  -1.103
   46   1HB   SER   7          2HB       SER   7  13.142   9.875  -2.185
   47   2HB   SER   7          1HB       SER   7  13.707   8.326  -2.799
   48    HG   SER   7           HG       SER   7  12.924  10.239  -4.278
   49    H    GLY   8           H        GLY   8  10.858   9.286   0.103
   50   1HA   GLY   8          2HA       GLY   8   9.634  11.331   0.401
   51   2HA   GLY   8          1HA       GLY   8   8.916  11.092  -1.191
   52    H    GLN   9           H        GLN   9   8.611   8.155  -0.435
   53    HA   GLN   9           HA       GLN   9   5.982   8.447   0.797
   54   1HB   GLN   9          2HB       GLN   9   7.237   6.606  -1.044
   55   2HB   GLN   9          1HB       GLN   9   6.473   5.742   0.286
   56   1HG   GLN   9          2HG       GLN   9   4.427   6.156  -0.530
   57   2HG   GLN   9          1HG       GLN   9   4.770   7.881  -0.662
   58   1HE2  GLN   9          2HE2      GLN   9   5.879   7.698  -4.045
   59   2HE2  GLN   9          1HE2      GLN   9   6.128   8.521  -2.546
   60    HA   PRO  10           HA       PRO  10   7.245   6.958   4.739
   61   1HB   PRO  10          2HB       PRO  10   4.972   5.794   5.627
   62   2HB   PRO  10          1HB       PRO  10   5.183   7.546   5.490
   63   1HG   PRO  10          2HG       PRO  10   3.666   5.688   3.758
   64   2HG   PRO  10          1HG       PRO  10   3.362   7.392   4.127
   65   1HD   PRO  10          2HD       PRO  10   4.512   6.418   1.782
   66   2HD   PRO  10          1HD       PRO  10   4.575   8.098   2.349
   67    H    CYS  11           H        CYS  11   8.541   5.321   5.207
   68    HA   CYS  11           HA       CYS  11   7.771   2.574   4.430
   69   1HB   CYS  11          2HB       CYS  11  10.109   2.072   4.117
   70   2HB   CYS  11          1HB       CYS  11   9.687   3.472   3.138
   71    HA   PRO  12           HA       PRO  12   8.093   1.803   8.791
   72   1HB   PRO  12          2HB       PRO  12   7.911  -0.895   8.729
   73   2HB   PRO  12          1HB       PRO  12   6.527   0.181   8.482
   74   1HG   PRO  12          2HG       PRO  12   8.067  -1.392   6.508
   75   2HG   PRO  12          1HG       PRO  12   6.363  -0.910   6.489
   76   1HD   PRO  12          2HD       PRO  12   8.419   0.295   5.034
   77   2HD   PRO  12          1HD       PRO  12   6.813   0.987   5.335
   78    H    TYR  13           H        TYR  13  10.048  -0.199   6.594
   79    HA   TYR  13           HA       TYR  13  12.288  -0.008   8.510
   80   1HB   TYR  13          2HB       TYR  13  12.034  -2.445   6.827
   81   2HB   TYR  13          1HB       TYR  13  12.758  -2.247   8.417
   82    HD1  TYR  13           HD2      TYR  13  11.206  -1.938  10.407
   83    HD2  TYR  13           HD1      TYR  13   9.857  -3.245   6.575
   84    HE1  TYR  13           HE2      TYR  13   9.158  -2.846  11.435
   85    HE2  TYR  13           HE1      TYR  13   7.811  -4.152   7.605
   86    HH   TYR  13           HH       TYR  13   6.532  -3.392  10.136
   87    H    ASN  14           H        ASN  14  14.399  -0.256   7.510
   88    HA   ASN  14           HA       ASN  14  14.645   1.231   5.098
   89   1HB   ASN  14          2HB       ASN  14  16.822  -0.448   6.318
   90   2HB   ASN  14          1HB       ASN  14  16.968   1.054   5.416
   91   1HD2  ASN  14          2HD2      ASN  14  17.491   2.102   8.790
   92   2HD2  ASN  14          1HD2      ASN  14  18.299   1.318   7.489
   93    H    GLU  15           H        GLU  15  13.868  -1.973   5.649
   94    HA   GLU  15           HA       GLU  15  15.198  -3.067   3.301
   95   1HB   GLU  15          2HB       GLU  15  14.357  -4.136   5.702
   96   2HB   GLU  15          1HB       GLU  15  13.143  -4.711   4.563
   97   1HG   GLU  15          2HG       GLU  15  14.581  -6.165   3.632
   98   2HG   GLU  15          1HG       GLU  15  15.835  -4.933   3.480
   99    H    ASN  16           H        ASN  16  12.290  -1.483   4.052
  100    HA   ASN  16           HA       ASN  16  10.869  -2.649   1.759
  101   1HB   ASN  16          2HB       ASN  16   9.896  -2.198   4.180
  102   2HB   ASN  16          1HB       ASN  16   9.636  -0.584   3.518
  103   1HD2  ASN  16          2HD2      ASN  16   6.566  -1.854   2.392
  104   2HD2  ASN  16          1HD2      ASN  16   7.384  -0.846   3.532
  105    H    CYS  17           H        CYS  17  13.116  -0.431   2.016
  106    HA   CYS  17           HA       CYS  17  11.787   1.737   0.564
  107   1HB   CYS  17          2HB       CYS  17  14.087   1.513   2.266
  108   2HB   CYS  17          1HB       CYS  17  14.560   2.195   0.719
  109    H    CYS  18           H        CYS  18  12.355   2.365  -1.506
  110    HA   CYS  18           HA       CYS  18  13.046   0.320  -3.341
  111   1HB   CYS  18          2HB       CYS  18  12.738   3.303  -3.542
  112   2HB   CYS  18          1HB       CYS  18  13.286   2.352  -4.913
  113    H    SER  19           H        SER  19  14.783   2.906  -1.767
  114    HA   SER  19           HA       SER  19  17.272   2.262  -3.138
  115   1HB   SER  19          2HB       SER  19  18.042   4.318  -2.459
  116   2HB   SER  19          1HB       SER  19  16.313   4.645  -2.509
  117    HG   SER  19           HG       SER  19  16.224   4.448  -0.301
  118    H    GLN  20           H        GLN  20  15.569   1.191  -0.506
  119    HA   GLN  20           HA       GLN  20  16.116  -0.240   1.200
  120   1HB   GLN  20          2HB       GLN  20  18.488  -0.268  -0.491
  121   2HB   GLN  20          1HB       GLN  20  18.864  -0.533   1.209
  122   1HG   GLN  20          2HG       GLN  20  18.453  -2.683   0.269
  123   2HG   GLN  20          1HG       GLN  20  17.019  -2.278   1.215
  124   1HE2  GLN  20          2HE2      GLN  20  15.115  -3.118  -1.579
  125   2HE2  GLN  20          1HE2      GLN  20  15.533  -3.439   0.066
  126    H    SER  21           H        SER  21  16.758   2.888   1.006
  127    HA   SER  21           HA       SER  21  18.050   3.019   3.662
  128   1HB   SER  21          2HB       SER  21  18.397   4.627   1.196
  129   2HB   SER  21          1HB       SER  21  18.429   5.496   2.725
  130    HG   SER  21           HG       SER  21  19.918   3.451   3.188
  131    H    CYS  22           H        CYS  22  16.432   3.271   5.095
  132    HA   CYS  22           HA       CYS  22  14.207   5.092   4.466
  133   1HB   CYS  22          2HB       CYS  22  14.600   2.827   6.365
  134   2HB   CYS  22          1HB       CYS  22  13.450   4.084   6.785
  135    H    THR  23           H        THR  23  13.770   6.881   5.728
  136    HA   THR  23           HA       THR  23  15.702   7.537   7.864
  137    HB   THR  23           HB       THR  23  16.567   8.884   6.221
  138    HG1  THR  23           HG1      THR  23  16.172  10.618   7.331
  139   1HG2  THR  23          3HG2      THR  23  13.772   9.083   5.112
  140   2HG2  THR  23          2HG2      THR  23  15.128  10.030   4.496
  141   3HG2  THR  23          1HG2      THR  23  15.163   8.267   4.397
  142    H    PHE  24           H        PHE  24  14.846   9.688   8.968
  143    HA   PHE  24           HA       PHE  24  11.947   9.355   9.450
  144   1HB   PHE  24          2HB       PHE  24  14.176   9.239  11.257
  145   2HB   PHE  24          1HB       PHE  24  13.139  10.594  11.680
  146    HD1  PHE  24           HD2      PHE  24  10.568  10.041  11.749
  147    HD2  PHE  24           HD1      PHE  24  13.687   7.147  12.081
  148    HE1  PHE  24           HE2      PHE  24   9.009   8.487  12.857
  149    HE2  PHE  24           HE1      PHE  24  12.129   5.595  13.193
  150    HZ   PHE  24           HZ       PHE  24   9.790   6.264  13.581
  151    H    LYS  25           H        LYS  25  10.842  11.060   8.737
  152    HA   LYS  25           HA       LYS  25  12.123  13.724   8.822
  153   1HB   LYS  25          2HB       LYS  25  11.143  12.375   6.616
  154   2HB   LYS  25          1HB       LYS  25   9.828  13.466   7.044
  155   1HG   LYS  25          2HG       LYS  25  12.595  14.569   7.006
  156   2HG   LYS  25          1HG       LYS  25  11.825  14.227   5.458
  157   1HD   LYS  25          2HD       LYS  25   9.807  15.535   6.478
  158   2HD   LYS  25          1HD       LYS  25  11.016  16.178   7.586
  159   1HE   LYS  25          2HE       LYS  25  10.956  17.736   5.828
  160   2HE   LYS  25          1HE       LYS  25  12.375  16.751   5.485
  161   1HZ   LYS  25          2HZ       LYS  25  10.506  15.391   4.181
  162   2HZ   LYS  25          1HZ       LYS  25   9.864  16.958   4.047
  163   3HZ   LYS  25          3HZ       LYS  25  11.425  16.630   3.470
  164    H    GLU  26           H        GLU  26  10.797  15.497   9.415
  165    HA   GLU  26           HA       GLU  26   8.699  14.773  11.284
  166   1HB   GLU  26          2HB       GLU  26  10.364  16.335  12.058
  167   2HB   GLU  26          1HB       GLU  26  10.051  17.400  10.689
  168   1HG   GLU  26          2HG       GLU  26   7.988  18.087  11.528
  169   2HG   GLU  26          1HG       GLU  26   7.819  16.661  12.552
  170    H    ASN  27           H        ASN  27   6.608  15.583  11.229
  171    HA   ASN  27           HA       ASN  27   5.686  16.489   8.580
  172   1HB   ASN  27          2HB       ASN  27   3.461  15.716  10.093
  173   2HB   ASN  27          1HB       ASN  27   4.200  14.831   8.765
  174   1HD2  ASN  27          2HD2      ASN  27   4.185  13.195  12.340
  175   2HD2  ASN  27          1HD2      ASN  27   3.120  14.423  11.758
  176    H    GLU  28           H        GLU  28   3.302  17.507   9.086
  177    HA   GLU  28           HA       GLU  28   3.909  19.946  10.547
  178   1HB   GLU  28          2HB       GLU  28   2.933  19.939   8.215
  179   2HB   GLU  28          1HB       GLU  28   1.440  19.336   8.933
  180   1HG   GLU  28          2HG       GLU  28   2.269  21.563  10.481
  181   2HG   GLU  28          1HG       GLU  28   2.397  22.034   8.785
  182    H    ASN  29           H        ASN  29   1.725  17.207  10.619
  183    HA   ASN  29           HA       ASN  29  -0.230  17.962  12.376
  184   1HB   ASN  29          2HB       ASN  29  -0.106  15.733  11.357
  185   2HB   ASN  29          1HB       ASN  29   1.267  15.333  12.391
  186   1HD2  ASN  29          2HD2      ASN  29  -0.641  14.733  15.265
  187   2HD2  ASN  29          1HD2      ASN  29   0.931  14.983  14.589
  188    H    GLY  30           H        GLY  30   3.099  17.073  13.133
  189   1HA   GLY  30          2HA       GLY  30   4.089  18.394  14.998
  190   2HA   GLY  30          1HA       GLY  30   2.651  17.945  15.907
  191    H    ASN  31           H        ASN  31   4.280  15.757  13.720
  192    HA   ASN  31           HA       ASN  31   5.553  14.336  15.950
  193   1HB   ASN  31          2HB       ASN  31   3.163  13.468  14.549
  194   2HB   ASN  31          1HB       ASN  31   4.476  12.302  14.388
  195   1HD2  ASN  31          2HD2      ASN  31   2.671  12.950  17.978
  196   2HD2  ASN  31          1HD2      ASN  31   2.348  13.941  16.600
  197    H    THR  32           H        THR  32   6.392  12.107  14.610
  198    HA   THR  32           HA       THR  32   7.721  13.034  12.164
  199    HB   THR  32           HB       THR  32   9.133  13.369  14.319
  200    HG1  THR  32           HG1      THR  32  10.318  13.638  12.582
  201   1HG2  THR  32          2HG2      THR  32   8.679  11.078  15.197
  202   2HG2  THR  32          1HG2      THR  32   9.612  10.424  13.850
  203   3HG2  THR  32          3HG2      THR  32  10.397  11.452  15.050
  204    H    VAL  33           H        VAL  33   7.858  11.497  10.649
  205    HA   VAL  33           HA       VAL  33   7.286   8.706  11.434
  206    HB   VAL  33           HB       VAL  33   6.596   9.670   8.713
  207   1HG1  VAL  33          3HG1      VAL  33   5.911   7.478  10.522
  208   2HG1  VAL  33          2HG1      VAL  33   4.520   8.167   9.683
  209   3HG1  VAL  33          1HG1      VAL  33   5.890   7.545   8.759
  210   1HG2  VAL  33          2HG2      VAL  33   5.225  10.553  11.220
  211   2HG2  VAL  33          1HG2      VAL  33   5.517  11.442   9.724
  212   3HG2  VAL  33          3HG2      VAL  33   4.255  10.210   9.785
  213    H    LYS  34           H        LYS  34   7.841   7.343   9.254
  214    HA   LYS  34           HA       LYS  34  10.624   8.085   8.597
  215   1HB   LYS  34          2HB       LYS  34   9.323   5.517   9.304
  216   2HB   LYS  34          1HB       LYS  34  10.556   5.459   8.045
  217   1HG   LYS  34          2HG       LYS  34  12.224   6.293   9.484
  218   2HG   LYS  34          1HG       LYS  34  11.043   6.868  10.657
  219   1HD   LYS  34          2HD       LYS  34  10.830   4.831  11.637
  220   2HD   LYS  34          1HD       LYS  34  10.969   3.968  10.108
  221   1HE   LYS  34          2HE       LYS  34  13.286   5.251  11.563
  222   2HE   LYS  34          1HE       LYS  34  12.868   3.544  11.668
  223   1HZ   LYS  34          1HZ       LYS  34  12.981   3.837   9.043
  224   2HZ   LYS  34          3HZ       LYS  34  14.099   5.030   9.493
  225   3HZ   LYS  34          2HZ       LYS  34  14.333   3.421   9.984
  226    H    ARG  35           H        ARG  35  11.101   8.398   6.513
  227    HA   ARG  35           HA       ARG  35   9.128   7.573   4.475
  228   1HB   ARG  35          2HB       ARG  35  10.822  10.046   4.711
  229   2HB   ARG  35          1HB       ARG  35  10.165   9.526   3.162
  230   1HG   ARG  35          2HG       ARG  35   7.988   9.955   3.785
  231   2HG   ARG  35          1HG       ARG  35   8.317   9.709   5.498
  232   1HD   ARG  35          2HD       ARG  35   9.706  11.850   5.382
  233   2HD   ARG  35          1HD       ARG  35   8.964  12.116   3.804
  234    HE   ARG  35           HE       ARG  35   6.962  11.583   5.737
  235   1HH1  ARG  35          1HH2      ARG  35   9.178  14.010   4.595
  236   2HH1  ARG  35          2HH2      ARG  35   8.263  15.336   5.230
  237   1HH2  ARG  35          2HH1      ARG  35   5.775  13.319   6.636
  238   2HH2  ARG  35          1HH1      ARG  35   6.326  14.943   6.393
  239    H    CYS  36           H        CYS  36  10.504   7.936   2.206
  240    HA   CYS  36           HA       CYS  36  12.747   6.038   2.467
  241   1HB   CYS  36          2HB       CYS  36  10.576   5.587   1.067
  242   2HB   CYS  36          1HB       CYS  36  11.367   6.605  -0.119
  243    H    ASP  37           HN       ASP  37  14.684   6.446   1.502
  244    HA   ASP  37           HA       ASP  37  15.344   9.207   1.023
  245   1HB   ASP  37          2HB       ASP  37  16.824   6.637   1.265
  246   2HB   ASP  37          1HB       ASP  37  17.609   7.956   0.393
   
  No H/Q in entry =         246