*HEADER    PLANT PROTEIN                           23-AUG-99   1C4E              
*TITLE     GURMARIN FROM GYMNEMA SYLVESTRE                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GURMARIN;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 OTHER_DETAILS: SYNTHETIC                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: GYMNEMA SYLVESTRE;                              
*SOURCE   3 TISSUE: LEAVES;                                                      
*SOURCE   4 OTHER_DETAILS: CHEMICALLY SYNTHESIZED                                
*KEYWDS    GURMARIN, SWEET TASTE SUPPRESSION, CYSTINE KNOT, SWEET                
*KEYWDS   2 TASTE TRANSDUCTION                                                   
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.I.FLETCHER, A.J.DINGLEY, G.F.KING                                   
*REVDAT   1   23-AUG-98 1C4E    0                                                


!gurmarin angle constraints for XPLOR
!set message=norm echo=on  end
!restraints dihedral reset
! Phi restraints: minimum deviation = 20 degrees
!   8 Glu
 assign (resid   7 and name c )   (resid   8 and name n )
        (resid   8 and name ca)   (resid   8 and name c )  1.0 -120.0 30.0 2
!  11 Ile
 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 30.0 2
!  16 Asp
 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
!  17 Cys
 assign (resid   16 and name c )   (resid   17 and name n )
        (resid   17 and name ca)   (resid   17 and name c )  1.0 -120.0 30.0 2
!  22 Glu
 assign (resid   21 and name c )   (resid   22 and name n )
        (resid   22 and name ca)   (resid   22 and name c )  1.0 -120.0 30.0 2
!  24 Lys
 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
!  26 Val
 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
!  29 Trp
 assign (resid   28 and name c )   (resid   29 and name n )
        (resid   29 and name ca)   (resid   29 and name c )  1.0 -120.0 30.0 2
!  30 Asn
 assign (resid   29 and name c )   (resid   30 and name n )
        (resid   30 and name ca)   (resid   30 and name c )  1.0 -120.0 30.0 2
!  31 His
 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 Lys
 assign (resid   31 and name c )   (resid   32 and name n )
        (resid   32 and name ca)   (resid   32 and name c )  1.0 -120.0 30.0 2
!  34 Ile
 assign (resid   33 and name c )   (resid   34 and name n )
        (resid   34 and name ca)   (resid   34 and name c )  1.0 -120.0 30.0 2


!chi 1
!   3 Cys
 assign (resid 3 and name n)    (resid 3 and name ca)
        (resid 3 and name cb)   (resid 3 and name sg) 1.0 60.0 30.0 2
!  10 Cys
 assign (resid 10 and name n)    (resid 10 and name ca)
        (resid 10 and name cb)   (resid 10 and name sg) 1.0 -120.0 90.0 2
!  14 Tyr
 assign (resid 14 and name n)    (resid 14 and name ca)
        (resid 14 and name cb)   (resid 14 and name cg) 1.0 -120.0 90.0 2
!  17 Cys
 assign (resid 17 and name n)    (resid 17 and name ca)
        (resid 17 and name cb)   (resid 17 and name sg) 1.0 -120.0 90.0 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
!  31 His
 assign (resid 31 and name n)    (resid 31 and name ca)
        (resid 31 and name cb)   (resid 31 and name cg) 1.0 -60.0 30.0 2
!  33 Cys
 assign (resid 33 and name n)    (resid 33 and name ca)
        (resid 33 and name cb)   (resid 33 and name sg) 1.0 -120.0 90.0 2
!end


!gurmarin distance constraints for XPLOR
set echo=false end
set wrnlev=0 end
! range |i-j| =     0
assign (resid   2 and name HN    )(resid   2 and name HB2   )  0.00  0.00  3.58
assign (resid   2 and name HN    )(resid   2 and name HB1   )  0.00  0.00  3.58
assign (resid   2 and name HN    )(resid   2 and name HB*   )  0.00  0.00  3.31
assign (resid   2 and name HN    )(resid   2 and name HG*   )  0.00  0.00  4.81
assign (resid   3 and name HN    )(resid   3 and name HB2   )  0.00  0.00  3.52
assign (resid   3 and name HN    )(resid   3 and name HB1   )  0.00  0.00  3.05
assign (resid   3 and name HA    )(resid   3 and name HB2   )  0.00  0.00  2.77
assign (resid   3 and name HA    )(resid   3 and name HB1   )  0.00  0.00  2.74
assign (resid   4 and name HN    )(resid   4 and name HB    )  0.00  0.00  3.08
assign (resid   4 and name HN    )(resid   4 and name HG*   )  0.00  0.00  4.23
assign (resid   5 and name HN    )(resid   5 and name HA    )  0.00  0.00  2.80
assign (resid   5 and name HN    )(resid   5 and name HB2   )  0.00  0.00  3.11
assign (resid   5 and name HN    )(resid   5 and name HB1   )  0.00  0.00  3.11
assign (resid   5 and name HN    )(resid   5 and name HB*   )  0.00  0.00  2.76
assign (resid   5 and name HN    )(resid   5 and name HG*   )  0.00  0.00  5.03
assign (resid   5 and name HN    )(resid   5 and name HD*   )  0.00  0.00  6.39
assign (resid   5 and name HN    )(resid   5 and name HE*   )  0.00  0.00  6.39
assign (resid   5 and name HA    )(resid   5 and name HB2   )  0.00  0.00  2.80
assign (resid   5 and name HA    )(resid   5 and name HB1   )  0.00  0.00  2.80
assign (resid   5 and name HA    )(resid   5 and name HD*   )  0.00  0.00  5.61
assign (resid   5 and name HA    )(resid   5 and name HE*   )  0.00  0.00  6.39
assign (resid   5 and name HB*   )(resid   5 and name HE*   )  0.00  0.00  7.22
assign (resid   6 and name HN    )(resid   6 and name HG2   )  0.00  0.00  5.25
assign (resid   6 and name HN    )(resid   6 and name HG1   )  0.00  0.00  5.25
assign (resid   6 and name HN    )(resid   6 and name HG*   )  0.00  0.00  4.43
assign (resid   6 and name HA    )(resid   6 and name HG*   )  0.00  0.00  3.67
assign (resid   6 and name HA    )(resid   6 and name HD*   )  0.00  0.00  4.00
assign (resid   7 and name HN    )(resid   7 and name HA    )  0.00  0.00  2.46
assign (resid   7 and name HA    )(resid   7 and name HB*   )  0.00  0.00  2.66
assign (resid   8 and name HN    )(resid   8 and name HG2   )  0.00  0.00  3.70
assign (resid   8 and name HN    )(resid   8 and name HG1   )  0.00  0.00  3.70
assign (resid   8 and name HN    )(resid   8 and name HG*   )  0.00  0.00  3.50
assign (resid   8 and name HA    )(resid   8 and name HG2   )  0.00  0.00  4.14
assign (resid   8 and name HA    )(resid   8 and name HG1   )  0.00  0.00  4.14
assign (resid   8 and name HA    )(resid   8 and name HG*   )  0.00  0.00  3.81
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 HB*   )  0.00  0.00  2.81
assign (resid   9 and name HN    )(resid   9 and name HG    )  0.00  0.00  3.21
assign (resid   9 and name HN    )(resid   9 and name HD1*  )  0.00  0.00  5.85
assign (resid   9 and name HN    )(resid   9 and name HD2*  )  0.00  0.00  5.85
assign (resid   9 and name HN    )(resid   9 and name HD*   )  0.00  0.00  5.05
assign (resid  10 and name HN    )(resid  10 and name HB2   )  0.00  0.00  3.76
assign (resid  10 and name HN    )(resid  10 and name HB1   )  0.00  0.00  3.76
assign (resid  10 and name HN    )(resid  10 and name HB*   )  0.00  0.00  3.60
assign (resid  10 and name HA    )(resid  10 and name HB2   )  0.00  0.00  2.99
assign (resid  10 and name HA    )(resid  10 and name HB1   )  0.00  0.00  2.99
assign (resid  11 and name HN    )(resid  11 and name HB    )  0.00  0.00  3.02
assign (resid  11 and name HN    )(resid  11 and name HG1*  )  0.00  0.00  4.50
assign (resid  14 and name HN    )(resid  14 and name HB2   )  0.00  0.00  3.67
assign (resid  14 and name HN    )(resid  14 and name HB1   )  0.00  0.00  3.67
assign (resid  14 and name HN    )(resid  14 and name HB*   )  0.00  0.00  3.38
assign (resid  14 and name HN    )(resid  14 and name HE*   )  0.00  0.00  7.06
assign (resid  15 and name HN    )(resid  15 and name HG    )  0.00  0.00  3.95
assign (resid  15 and name HN    )(resid  15 and name HD1*  )  0.00  0.00  5.60
assign (resid  15 and name HN    )(resid  15 and name HD2*  )  0.00  0.00  5.60
assign (resid  15 and name HN    )(resid  15 and name HD*   )  0.00  0.00  5.30
assign (resid  15 and name HA    )(resid  15 and name HD1*  )  0.00  0.00  4.70
assign (resid  15 and name HA    )(resid  15 and name HD2*  )  0.00  0.00  4.70
assign (resid  15 and name HB*   )(resid  15 and name HG    )  0.00  0.00  2.62
assign (resid  16 and name HN    )(resid  16 and name HB*   )  0.00  0.00  3.71
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  3.50
assign (resid  18 and name HN    )(resid  18 and name HB1   )  0.00  0.00  3.50
assign (resid  18 and name HA    )(resid  18 and name HB2   )  0.00  0.00  2.93
assign (resid  18 and name HA    )(resid  18 and name HB1   )  0.00  0.00  2.80
assign (resid  19 and name HN    )(resid  19 and name HB*   )  0.00  0.00  3.37
assign (resid  21 and name HN    )(resid  21 and name HG    )  0.00  0.00  2.77
assign (resid  21 and name HN    )(resid  21 and name HD1*  )  0.00  0.00  4.82
assign (resid  21 and name HN    )(resid  21 and name HD2*  )  0.00  0.00  4.82
assign (resid  21 and name HA    )(resid  21 and name HG    )  0.00  0.00  3.58
assign (resid  21 and name HA    )(resid  21 and name HD*   )  0.00  0.00  4.16
assign (resid  22 and name HN    )(resid  22 and name HB2   )  0.00  0.00  3.36
assign (resid  22 and name HN    )(resid  22 and name HB1   )  0.00  0.00  3.36
assign (resid  22 and name HN    )(resid  22 and name HB*   )  0.00  0.00  3.11
assign (resid  22 and name HN    )(resid  22 and name HG2   )  0.00  0.00  5.34
assign (resid  22 and name HN    )(resid  22 and name HG1   )  0.00  0.00  5.34
assign (resid  22 and name HN    )(resid  22 and name HG*   )  0.00  0.00  4.88
assign (resid  23 and name HN    )(resid  23 and name HB2   )  0.00  0.00  2.87
assign (resid  23 and name HN    )(resid  23 and name HB1   )  0.00  0.00  2.87
assign (resid  24 and name HN    )(resid  24 and name HG2   )  0.00  0.00  4.45
assign (resid  24 and name HN    )(resid  24 and name HG1   )  0.00  0.00  4.45
assign (resid  24 and name HN    )(resid  24 and name HG*   )  0.00  0.00  4.25
assign (resid  24 and name HN    )(resid  24 and name HD*   )  0.00  0.00  4.87
assign (resid  24 and name HB*   )(resid  24 and name HE*   )  0.00  0.00  7.28
assign (resid  25 and name HN    )(resid  25 and name HB2   )  0.00  0.00  2.93
assign (resid  25 and name HN    )(resid  25 and name HB1   )  0.00  0.00  2.93
assign (resid  25 and name HN    )(resid  25 and name HG*   )  0.00  0.00  5.55
assign (resid  25 and name HN    )(resid  25 and name HD*   )  0.00  0.00  6.02
assign (resid  25 and name HA    )(resid  25 and name HD*   )  0.00  0.00  5.74
assign (resid  25 and name HA    )(resid  25 and name HE2   )  0.00  0.00  5.50
assign (resid  25 and name HA    )(resid  25 and name HE1   )  0.00  0.00  5.50
assign (resid  25 and name HB2   )(resid  25 and name HE2   )  0.00  0.00  7.28
assign (resid  25 and name HB2   )(resid  25 and name HE1   )  0.00  0.00  7.28
assign (resid  25 and name HB1   )(resid  25 and name HE2   )  0.00  0.00  7.28
assign (resid  25 and name HB1   )(resid  25 and name HE1   )  0.00  0.00  7.28
assign (resid  25 and name HB*   )(resid  25 and name HE*   )  0.00  0.00  6.33
assign (resid  26 and name HN    )(resid  26 and name HB    )  0.00  0.00  2.99
assign (resid  26 and name HN    )(resid  26 and name HG1*  )  0.00  0.00  4.36
assign (resid  26 and name HN    )(resid  26 and name HG2*  )  0.00  0.00  4.36
assign (resid  26 and name HN    )(resid  26 and name HG*   )  0.00  0.00  3.86
assign (resid  26 and name HA    )(resid  26 and name HB    )  0.00  0.00  3.50
assign (resid  27 and name HN    )(resid  27 and name HA    )  0.00  0.00  3.50
assign (resid  27 and name HN    )(resid  27 and name HB2   )  0.00  0.00  3.86
assign (resid  27 and name HN    )(resid  27 and name HB1   )  0.00  0.00  3.86
assign (resid  27 and name HN    )(resid  27 and name HB*   )  0.00  0.00  3.40
assign (resid  27 and name HA    )(resid  27 and name HB2   )  0.00  0.00  2.77
assign (resid  27 and name HA    )(resid  27 and name HB1   )  0.00  0.00  2.77
assign (resid  28 and name HN    )(resid  28 and name HA    )  0.00  0.00  2.87
assign (resid  30 and name HN    )(resid  30 and name HB2   )  0.00  0.00  3.08
assign (resid  30 and name HN    )(resid  30 and name HB1   )  0.00  0.00  3.08
assign (resid  30 and name HN    )(resid  30 and name HB*   )  0.00  0.00  2.87
assign (resid  30 and name HA    )(resid  30 and name HB*   )  0.00  0.00  2.69
assign (resid  31 and name HN    )(resid  31 and name HB2   )  0.00  0.00  3.36
assign (resid  31 and name HN    )(resid  31 and name HB1   )  0.00  0.00  3.45
assign (resid  31 and name HA    )(resid  31 and name HB2   )  0.00  0.00  3.02
assign (resid  31 and name HA    )(resid  31 and name HB1   )  0.00  0.00  2.93
assign (resid  31 and name HA    )(resid  31 and name HD2   )  0.00  0.00  4.14
assign (resid  31 and name HB2   )(resid  31 and name HD2   )  0.00  0.00  3.79
assign (resid  31 and name HB1   )(resid  31 and name HD2   )  0.00  0.00  3.76
assign (resid  32 and name HN    )(resid  32 and name HG*   )  0.00  0.00  6.05
assign (resid  32 and name HN    )(resid  32 and name HE*   )  0.00  0.00  6.39
assign (resid  32 and name HA    )(resid  32 and name HD*   )  0.00  0.00  4.44
assign (resid  32 and name HA    )(resid  32 and name HE*   )  0.00  0.00  6.39
assign (resid  32 and name HB*   )(resid  32 and name HE*   )  0.00  0.00  6.63
assign (resid  33 and name HN    )(resid  33 and name HB2   )  0.00  0.00  3.50
assign (resid  33 and name HN    )(resid  33 and name HB1   )  0.00  0.00  3.50
assign (resid  33 and name HN    )(resid  33 and name HB*   )  0.00  0.00  2.77
assign (resid  34 and name HN    )(resid  34 and name HB    )  0.00  0.00  3.50
assign (resid  34 and name HN    )(resid  34 and name HG12  )  0.00  0.00  3.73
assign (resid  34 and name HN    )(resid  34 and name HG11  )  0.00  0.00  3.73
assign (resid  34 and name HN    )(resid  34 and name HD*   )  0.00  0.00  5.47
assign (resid  35 and name HN    )(resid  35 and name HA2   )  0.00  0.00  2.93
assign (resid  35 and name HN    )(resid  35 and name HA1   )  0.00  0.00  2.93
! total in this range:    135
! range |i-j| =     1
assign (resid   1 and name HA    )(resid   2 and name HN    )  0.00  0.00  2.90
assign (resid   2 and name HA    )(resid   3 and name HN    )  0.00  0.00  2.40
assign (resid   2 and name HB2   )(resid   3 and name HN    )  0.00  0.00  3.58
assign (resid   2 and name HB1   )(resid   3 and name HN    )  0.00  0.00  3.58
assign (resid   2 and name HB*   )(resid   3 and name HN    )  0.00  0.00  3.37
assign (resid   2 and name HG*   )(resid   3 and name HN    )  0.00  0.00  6.23
assign (resid   3 and name HN    )(resid   4 and name HN    )  0.00  0.00  4.63
assign (resid   3 and name HN    )(resid   4 and name HG*   )  0.00  0.00  8.07
assign (resid   3 and name HA    )(resid   4 and name HN    )  0.00  0.00  3.27
assign (resid   3 and name HA    )(resid   4 and name HG*   )  0.00  0.00  6.64
assign (resid   3 and name HB2   )(resid   4 and name HN    )  0.00  0.00  3.30
assign (resid   3 and name HB2   )(resid   4 and name HG*   )  0.00  0.00  7.08
assign (resid   3 and name HB1   )(resid   4 and name HN    )  0.00  0.00  3.45
assign (resid   3 and name HB1   )(resid   4 and name HG*   )  0.00  0.00  7.98
assign (resid   4 and name HN    )(resid   5 and name HN    )  0.00  0.00  5.00
assign (resid   4 and name HA    )(resid   5 and name HN    )  0.00  0.00  2.43
assign (resid   4 and name HB    )(resid   5 and name HN    )  0.00  0.00  4.00
assign (resid   4 and name HG1*  )(resid   5 and name HN    )  0.00  0.00  4.92
assign (resid   4 and name HG2*  )(resid   5 and name HN    )  0.00  0.00  4.92
assign (resid   4 and name HG*   )(resid   5 and name HN    )  0.00  0.00  4.19
assign (resid   4 and name HG*   )(resid   5 and name HA    )  0.00  0.00  7.70
assign (resid   5 and name HN    )(resid   6 and name HN    )  0.00  0.00  5.00
assign (resid   5 and name HA    )(resid   6 and name HN    )  0.00  0.00  2.56
assign (resid   6 and name HN    )(resid   7 and name HN    )  0.00  0.00  5.00
assign (resid   6 and name HA    )(resid   7 and name HN    )  0.00  0.00  2.52
assign (resid   6 and name HG*   )(resid   7 and name HN    )  0.00  0.00  4.16
assign (resid   6 and name HG*   )(resid   7 and name HB*   )  0.00  0.00  5.29
assign (resid   6 and name HD*   )(resid   7 and name HN    )  0.00  0.00  4.84
assign (resid   7 and name HN    )(resid   8 and name HN    )  0.00  0.00  2.99
assign (resid   7 and name HA    )(resid   8 and name HN    )  0.00  0.00  3.52
assign (resid   7 and name HB*   )(resid   8 and name HN    )  0.00  0.00  4.28
assign (resid   8 and name HA    )(resid   9 and name HN    )  0.00  0.00  3.05
assign (resid   8 and name HB*   )(resid   9 and name HN    )  0.00  0.00  3.88
assign (resid   8 and name HG2   )(resid   9 and name HN    )  0.00  0.00  5.07
assign (resid   8 and name HG1   )(resid   9 and name HN    )  0.00  0.00  5.07
assign (resid   8 and name HG*   )(resid   9 and name HN    )  0.00  0.00  4.88
assign (resid   9 and name HB2   )(resid  10 and name HN    )  0.00  0.00  4.01
assign (resid   9 and name HB1   )(resid  10 and name HN    )  0.00  0.00  4.01
assign (resid   9 and name HB*   )(resid  10 and name HN    )  0.00  0.00  3.70
assign (resid   9 and name HG    )(resid  10 and name HN    )  0.00  0.00  5.44
assign (resid   9 and name HD1*  )(resid  10 and name HN    )  0.00  0.00  6.53
assign (resid   9 and name HD2*  )(resid  10 and name HN    )  0.00  0.00  6.53
assign (resid   9 and name HD*   )(resid  10 and name HN    )  0.00  0.00  6.19
assign (resid  10 and name HN    )(resid  11 and name HG2*  )  0.00  0.00  6.53
assign (resid  10 and name HA    )(resid  11 and name HN    )  0.00  0.00  2.99
assign (resid  10 and name HB2   )(resid  11 and name HN    )  0.00  0.00  5.00
assign (resid  10 and name HB1   )(resid  11 and name HN    )  0.00  0.00  5.00
assign (resid  10 and name HB*   )(resid  11 and name HA    )  0.00  0.00  4.74
assign (resid  11 and name HA    )(resid  12 and name HA    )  0.00  0.00  4.57
assign (resid  11 and name HA    )(resid  12 and name HD2   )  0.00  0.00  3.14
assign (resid  11 and name HA    )(resid  12 and name HD1   )  0.00  0.00  3.14
assign (resid  12 and name HA    )(resid  13 and name HN    )  0.00  0.00  3.05
assign (resid  12 and name HB2   )(resid  13 and name HD*   )  0.00  0.00  7.65
assign (resid  12 and name HB2   )(resid  13 and name HE*   )  0.00  0.00  7.65
assign (resid  12 and name HB1   )(resid  13 and name HD*   )  0.00  0.00  7.65
assign (resid  12 and name HB1   )(resid  13 and name HE*   )  0.00  0.00  7.65
assign (resid  12 and name HG*   )(resid  13 and name HE*   )  0.00  0.00  8.54
assign (resid  13 and name HA    )(resid  14 and name HD*   )  0.00  0.00  6.28
assign (resid  13 and name HA    )(resid  14 and name HE*   )  0.00  0.00  7.65
assign (resid  13 and name HB2   )(resid  14 and name HE*   )  0.00  0.00  7.28
assign (resid  13 and name HB1   )(resid  14 and name HE*   )  0.00  0.00  7.28
assign (resid  13 and name HB*   )(resid  14 and name HB*   )  0.00  0.00  5.72
assign (resid  13 and name HB*   )(resid  14 and name HD*   )  0.00  0.00  7.85
assign (resid  13 and name HB*   )(resid  14 and name HE*   )  0.00  0.00  7.05
assign (resid  14 and name HN    )(resid  15 and name HN    )  0.00  0.00  3.27
assign (resid  14 and name HB2   )(resid  15 and name HN    )  0.00  0.00  3.95
assign (resid  14 and name HB2   )(resid  15 and name HD1*  )  0.00  0.00  8.50
assign (resid  14 and name HB2   )(resid  15 and name HD2*  )  0.00  0.00  8.50
assign (resid  14 and name HB1   )(resid  15 and name HN    )  0.00  0.00  3.95
assign (resid  14 and name HB1   )(resid  15 and name HD1*  )  0.00  0.00  8.50
assign (resid  14 and name HB1   )(resid  15 and name HD2*  )  0.00  0.00  8.50
assign (resid  14 and name HB*   )(resid  15 and name HN    )  0.00  0.00  3.56
assign (resid  14 and name HB*   )(resid  15 and name HD*   )  0.00  0.00  6.55
assign (resid  14 and name HD*   )(resid  15 and name HD*   )  0.00  0.00  8.54
assign (resid  14 and name HE*   )(resid  15 and name HN    )  0.00  0.00  7.65
assign (resid  14 and name HE*   )(resid  15 and name HD1*  )  0.00  0.00  8.68
assign (resid  14 and name HE*   )(resid  15 and name HD2*  )  0.00  0.00  8.68
assign (resid  14 and name HE*   )(resid  15 and name HD*   )  0.00  0.00  7.57
assign (resid  15 and name HA    )(resid  16 and name HN    )  0.00  0.00  2.96
assign (resid  15 and name HD*   )(resid  16 and name HN    )  0.00  0.00  6.46
assign (resid  16 and name HN    )(resid  17 and name HN    )  0.00  0.00  4.48
assign (resid  17 and name HA    )(resid  18 and name HN    )  0.00  0.00  3.11
assign (resid  17 and name HB2   )(resid  18 and name HN    )  0.00  0.00  3.64
assign (resid  17 and name HB1   )(resid  18 and name HN    )  0.00  0.00  3.64
assign (resid  17 and name HB*   )(resid  18 and name HN    )  0.00  0.00  3.40
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 HA    )(resid  20 and name HA    )  0.00  0.00  3.05
assign (resid  19 and name HA    )(resid  20 and name HG*   )  0.00  0.00  5.96
assign (resid  20 and name HB*   )(resid  21 and name HD*   )  0.00  0.00  8.13
assign (resid  20 and name HD2   )(resid  21 and name HN    )  0.00  0.00  5.50
assign (resid  20 and name HD2   )(resid  21 and name HD1*  )  0.00  0.00  6.71
assign (resid  20 and name HD2   )(resid  21 and name HD2*  )  0.00  0.00  6.71
assign (resid  20 and name HD1   )(resid  21 and name HN    )  0.00  0.00  5.50
assign (resid  20 and name HD1   )(resid  21 and name HD1*  )  0.00  0.00  6.71
assign (resid  20 and name HD1   )(resid  21 and name HD2*  )  0.00  0.00  6.71
assign (resid  20 and name HD*   )(resid  21 and name HN    )  0.00  0.00  4.86
assign (resid  20 and name HD*   )(resid  21 and name HA    )  0.00  0.00  6.39
assign (resid  20 and name HD*   )(resid  21 and name HD*   )  0.00  0.00  5.65
assign (resid  21 and name HA    )(resid  22 and name HN    )  0.00  0.00  2.49
assign (resid  21 and name HA    )(resid  22 and name HB*   )  0.00  0.00  4.96
assign (resid  21 and name HB2   )(resid  22 and name HN    )  0.00  0.00  3.36
assign (resid  21 and name HB1   )(resid  22 and name HN    )  0.00  0.00  3.36
assign (resid  21 and name HB*   )(resid  22 and name HN    )  0.00  0.00  3.02
assign (resid  21 and name HD1*  )(resid  22 and name HN    )  0.00  0.00  5.57
assign (resid  21 and name HD2*  )(resid  22 and name HN    )  0.00  0.00  5.57
assign (resid  21 and name HD*   )(resid  22 and name HN    )  0.00  0.00  5.00
assign (resid  21 and name HD*   )(resid  22 and name HB*   )  0.00  0.00  8.37
assign (resid  22 and name HN    )(resid  23 and name HN    )  0.00  0.00  4.48
assign (resid  22 and name HA    )(resid  23 and name HN    )  0.00  0.00  3.11
assign (resid  22 and name HB*   )(resid  23 and name HN    )  0.00  0.00  4.41
assign (resid  22 and name HG*   )(resid  23 and name HN    )  0.00  0.00  5.55
assign (resid  22 and name HG*   )(resid  23 and name HB*   )  0.00  0.00  6.69
assign (resid  23 and name HN    )(resid  24 and name HD*   )  0.00  0.00  6.39
assign (resid  24 and name HD*   )(resid  25 and name HN    )  0.00  0.00  5.65
assign (resid  24 and name HE*   )(resid  25 and name HG*   )  0.00  0.00  7.28
assign (resid  25 and name HA    )(resid  26 and name HN    )  0.00  0.00  2.49
assign (resid  25 and name HA    )(resid  26 and name HG*   )  0.00  0.00  6.68
assign (resid  25 and name HD*   )(resid  26 and name HN    )  0.00  0.00  6.36
assign (resid  26 and name HN    )(resid  27 and name HN    )  0.00  0.00  2.56
assign (resid  26 and name HB    )(resid  27 and name HN    )  0.00  0.00  3.11
assign (resid  26 and name HB    )(resid  27 and name HD2*  )  0.00  0.00  6.38
assign (resid  26 and name HG1*  )(resid  27 and name HN    )  0.00  0.00  5.07
assign (resid  26 and name HG1*  )(resid  27 and name HB2   )  0.00  0.00  9.61
assign (resid  26 and name HG1*  )(resid  27 and name HB1   )  0.00  0.00  9.61
assign (resid  26 and name HG2*  )(resid  27 and name HN    )  0.00  0.00  5.07
assign (resid  26 and name HG2*  )(resid  27 and name HB2   )  0.00  0.00  9.61
assign (resid  26 and name HG2*  )(resid  27 and name HB1   )  0.00  0.00  9.61
assign (resid  26 and name HG*   )(resid  27 and name HN    )  0.00  0.00  4.36
assign (resid  26 and name HG*   )(resid  27 and name HA    )  0.00  0.00  8.07
assign (resid  26 and name HG*   )(resid  27 and name HB*   )  0.00  0.00  7.87
assign (resid  26 and name HG*   )(resid  27 and name HD2*  )  0.00  0.00  8.11
assign (resid  27 and name HA    )(resid  28 and name HD1   )  0.00  0.00  5.50
assign (resid  27 and name HB2   )(resid  28 and name HN    )  0.00  0.00  2.87
assign (resid  27 and name HB1   )(resid  28 and name HN    )  0.00  0.00  2.87
assign (resid  27 and name HB*   )(resid  28 and name HN    )  0.00  0.00  2.63
assign (resid  27 and name HB*   )(resid  28 and name HD1   )  0.00  0.00  6.39
assign (resid  28 and name HN    )(resid  29 and name HN    )  0.00  0.00  3.17
assign (resid  28 and name HN    )(resid  29 and name HE3   )  0.00  0.00  5.50
assign (resid  28 and name HA    )(resid  29 and name HN    )  0.00  0.00  3.55
assign (resid  28 and name HD1   )(resid  29 and name HN    )  0.00  0.00  5.50
assign (resid  28 and name HD1   )(resid  29 and name HD1   )  0.00  0.00  5.50
assign (resid  28 and name HD1   )(resid  29 and name HE3   )  0.00  0.00  4.88
assign (resid  28 and name HE3   )(resid  29 and name HB*   )  0.00  0.00  6.38
assign (resid  28 and name HE1   )(resid  29 and name HN    )  0.00  0.00  5.50
assign (resid  28 and name HE1   )(resid  29 and name HD1   )  0.00  0.00  5.31
assign (resid  29 and name HN    )(resid  30 and name HN    )  0.00  0.00  2.62
assign (resid  29 and name HN    )(resid  30 and name HB*   )  0.00  0.00  4.62
assign (resid  29 and name HB*   )(resid  30 and name HN    )  0.00  0.00  4.37
assign (resid  29 and name HD1   )(resid  30 and name HN    )  0.00  0.00  5.50
assign (resid  29 and name HD1   )(resid  30 and name HB2   )  0.00  0.00  5.50
assign (resid  29 and name HD1   )(resid  30 and name HB1   )  0.00  0.00  5.50
assign (resid  29 and name HD1   )(resid  30 and name HB*   )  0.00  0.00  5.20
assign (resid  29 and name HE3   )(resid  30 and name HN    )  0.00  0.00  5.50
assign (resid  29 and name HE3   )(resid  30 and name HB*   )  0.00  0.00  6.05
assign (resid  29 and name HZ3   )(resid  30 and name HN    )  0.00  0.00  5.50
assign (resid  30 and name HN    )(resid  31 and name HN    )  0.00  0.00  4.45
assign (resid  30 and name HA    )(resid  31 and name HN    )  0.00  0.00  3.08
assign (resid  31 and name HA    )(resid  32 and name HN    )  0.00  0.00  2.59
assign (resid  31 and name HA    )(resid  32 and name HG*   )  0.00  0.00  6.39
assign (resid  31 and name HB2   )(resid  32 and name HN    )  0.00  0.00  5.00
assign (resid  31 and name HB1   )(resid  32 and name HN    )  0.00  0.00  5.00
assign (resid  31 and name HD2   )(resid  32 and name HN    )  0.00  0.00  5.50
assign (resid  32 and name HN    )(resid  33 and name HN    )  0.00  0.00  4.01
assign (resid  32 and name HA    )(resid  33 and name HB*   )  0.00  0.00  5.30
assign (resid  32 and name HB*   )(resid  33 and name HN    )  0.00  0.00  3.97
assign (resid  32 and name HG*   )(resid  33 and name HN    )  0.00  0.00  5.71
assign (resid  33 and name HN    )(resid  34 and name HG2*  )  0.00  0.00  6.31
assign (resid  33 and name HN    )(resid  34 and name HD*   )  0.00  0.00  6.19
assign (resid  33 and name HA    )(resid  34 and name HN    )  0.00  0.00  2.46
assign (resid  33 and name HA    )(resid  34 and name HG2*  )  0.00  0.00  6.53
assign (resid  33 and name HA    )(resid  34 and name HG12  )  0.00  0.00  5.50
assign (resid  33 and name HA    )(resid  34 and name HG11  )  0.00  0.00  5.50
assign (resid  33 and name HB2   )(resid  34 and name HN    )  0.00  0.00  4.42
assign (resid  33 and name HB1   )(resid  34 and name HN    )  0.00  0.00  4.42
assign (resid  33 and name HB*   )(resid  34 and name HN    )  0.00  0.00  3.99
assign (resid  33 and name HB*   )(resid  34 and name HG2*  )  0.00  0.00  6.70
assign (resid  34 and name HN    )(resid  35 and name HN    )  0.00  0.00  4.51
assign (resid  34 and name HB    )(resid  35 and name HN    )  0.00  0.00  2.87
assign (resid  34 and name HG2*  )(resid  35 and name HN    )  0.00  0.00  4.51
assign (resid  34 and name HG12  )(resid  35 and name HN    )  0.00  0.00  5.10
assign (resid  34 and name HG11  )(resid  35 and name HN    )  0.00  0.00  5.10
assign (resid  34 and name HD*   )(resid  35 and name HN    )  0.00  0.00  5.47
! total in this range:    184
! range |i-j| =     2
assign (resid   5 and name HB*   )(resid   7 and name HN    )  0.00  0.00  6.39
assign (resid   6 and name HA    )(resid   8 and name HN    )  0.00  0.00  3.55
assign (resid   7 and name HA    )(resid   9 and name HD*   )  0.00  0.00  7.26
assign (resid  11 and name HG2*  )(resid  13 and name HE*   )  0.00  0.00  8.21
assign (resid  12 and name HA    )(resid  14 and name HN    )  0.00  0.00  4.11
assign (resid  13 and name HD*   )(resid  15 and name HD*   )  0.00  0.00 10.22
assign (resid  19 and name HA    )(resid  21 and name HN    )  0.00  0.00  3.50
assign (resid  22 and name HB*   )(resid  24 and name HE*   )  0.00  0.00  7.22
assign (resid  24 and name HB*   )(resid  26 and name HG*   )  0.00  0.00  8.22
assign (resid  24 and name HD*   )(resid  26 and name HN    )  0.00  0.00  6.39
assign (resid  24 and name HD*   )(resid  26 and name HG*   )  0.00  0.00  7.78
assign (resid  24 and name HE*   )(resid  26 and name HG*   )  0.00  0.00  8.96
assign (resid  25 and name HA    )(resid  27 and name HN    )  0.00  0.00  3.50
assign (resid  25 and name HB2   )(resid  27 and name HN    )  0.00  0.00  5.04
assign (resid  25 and name HB1   )(resid  27 and name HN    )  0.00  0.00  5.04
assign (resid  25 and name HB*   )(resid  27 and name HN    )  0.00  0.00  4.67
assign (resid  25 and name HG*   )(resid  27 and name HN    )  0.00  0.00  5.03
assign (resid  25 and name HG*   )(resid  27 and name HA    )  0.00  0.00  6.39
assign (resid  28 and name HN    )(resid  30 and name HN    )  0.00  0.00  4.17
assign (resid  32 and name HN    )(resid  34 and name HG2*  )  0.00  0.00  6.31
! total in this range:     20
! range |i-j| =     3
! hydrogen bond
assign (resid   5 and name O     )(resid   8 and name HN    )  2.20  0.20  0.00
! hydrogen bond
assign (resid   5 and name O     )(resid   8 and name N     )  3.20  0.30  0.00
assign (resid  11 and name HA    )(resid  14 and name HD*   )  0.00  0.00  7.65
assign (resid  11 and name HB    )(resid  14 and name HD*   )  0.00  0.00  7.09
assign (resid  11 and name HB    )(resid  14 and name HE*   )  0.00  0.00  6.81
assign (resid  11 and name HG2*  )(resid  14 and name HE*   )  0.00  0.00  7.71
assign (resid  11 and name HG12  )(resid  14 and name HD*   )  0.00  0.00  7.65
assign (resid  11 and name HG11  )(resid  14 and name HD*   )  0.00  0.00  7.65
assign (resid  11 and name HG1*  )(resid  14 and name HE*   )  0.00  0.00  8.54
assign (resid  18 and name HN    )(resid  21 and name HG    )  0.00  0.00  5.50
assign (resid  18 and name HN    )(resid  21 and name HD*   )  0.00  0.00  6.77
assign (resid  18 and name HA    )(resid  21 and name HD*   )  0.00  0.00  8.07
assign (resid  25 and name HE2   )(resid  28 and name HA    )  0.00  0.00  5.16
assign (resid  25 and name HE1   )(resid  28 and name HA    )  0.00  0.00  5.16
assign (resid  25 and name HE*   )(resid  28 and name HA    )  0.00  0.00  4.72
assign (resid  26 and name HG*   )(resid  29 and name HN    )  0.00  0.00  8.07
assign (resid  27 and name HN    )(resid  30 and name HN    )  0.00  0.00  3.92
assign (resid  27 and name HD21  )(resid  30 and name HB2   )  0.00  0.00  4.95
assign (resid  27 and name HD21  )(resid  30 and name HB1   )  0.00  0.00  4.95
assign (resid  27 and name HD22  )(resid  30 and name HB2   )  0.00  0.00  4.95
assign (resid  27 and name HD22  )(resid  30 and name HB1   )  0.00  0.00  4.95
assign (resid  27 and name HD2*  )(resid  30 and name HB*   )  0.00  0.00  4.19
! total in this range:     22
! range |i-j| =     4
assign (resid   4 and name HG1*  )(resid   8 and name HB2   )  0.00  0.00  7.41
assign (resid   4 and name HG1*  )(resid   8 and name HB1   )  0.00  0.00  7.41
assign (resid   4 and name HG1*  )(resid   8 and name HG2   )  0.00  0.00  9.61
assign (resid   4 and name HG1*  )(resid   8 and name HG1   )  0.00  0.00  9.61
assign (resid   4 and name HG2*  )(resid   8 and name HB2   )  0.00  0.00  7.41
assign (resid   4 and name HG2*  )(resid   8 and name HB1   )  0.00  0.00  7.41
assign (resid   4 and name HG2*  )(resid   8 and name HG2   )  0.00  0.00  9.61
assign (resid   4 and name HG2*  )(resid   8 and name HG1   )  0.00  0.00  9.61
assign (resid   4 and name HG*   )(resid   8 and name HA    )  0.00  0.00  7.51
assign (resid   4 and name HG*   )(resid   8 and name HB*   )  0.00  0.00  5.29
assign (resid   4 and name HG*   )(resid   8 and name HG*   )  0.00  0.00  7.42
assign (resid  11 and name HN    )(resid  15 and name HG    )  0.00  0.00  4.45
assign (resid  11 and name HN    )(resid  15 and name HD*   )  0.00  0.00  6.52
assign (resid  11 and name HB    )(resid  15 and name HN    )  0.00  0.00  3.08
assign (resid  17 and name HB2   )(resid  21 and name HB2   )  0.00  0.00  4.88
assign (resid  17 and name HB2   )(resid  21 and name HB1   )  0.00  0.00  4.88
assign (resid  17 and name HB2   )(resid  21 and name HD1*  )  0.00  0.00  8.30
assign (resid  17 and name HB2   )(resid  21 and name HD2*  )  0.00  0.00  8.30
assign (resid  17 and name HB1   )(resid  21 and name HB2   )  0.00  0.00  4.88
assign (resid  17 and name HB1   )(resid  21 and name HB1   )  0.00  0.00  4.88
assign (resid  17 and name HB1   )(resid  21 and name HD1*  )  0.00  0.00  8.30
assign (resid  17 and name HB1   )(resid  21 and name HD2*  )  0.00  0.00  8.30
assign (resid  17 and name HB*   )(resid  21 and name HN    )  0.00  0.00  5.27
assign (resid  17 and name HB*   )(resid  21 and name HA    )  0.00  0.00  5.02
assign (resid  17 and name HB*   )(resid  21 and name HB*   )  0.00  0.00  3.77
assign (resid  17 and name HB*   )(resid  21 and name HD*   )  0.00  0.00  6.21
assign (resid  26 and name HG1*  )(resid  30 and name HB2   )  0.00  0.00  7.26
assign (resid  26 and name HG1*  )(resid  30 and name HB1   )  0.00  0.00  7.26
assign (resid  26 and name HG2*  )(resid  30 and name HB2   )  0.00  0.00  7.26
assign (resid  26 and name HG2*  )(resid  30 and name HB1   )  0.00  0.00  7.26
assign (resid  26 and name HG*   )(resid  30 and name HN    )  0.00  0.00  8.07
assign (resid  26 and name HG*   )(resid  30 and name HA    )  0.00  0.00  8.07
assign (resid  26 and name HG*   )(resid  30 and name HB*   )  0.00  0.00  5.60
! hydrogen bond
assign (resid  26 and name HN    )(resid  30 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  26 and name N     )(resid  30 and name O     )  3.20  0.30  0.00
assign (resid  27 and name HN    )(resid  31 and name HA    )  0.00  0.00  4.29
! total in this range:     36
! range |i-j| =     5
assign (resid   4 and name HG*   )(resid   9 and name HN    )  0.00  0.00  7.39
assign (resid   4 and name HG*   )(resid   9 and name HD*   )  0.00  0.00  9.62
assign (resid  10 and name HA    )(resid  15 and name HB2   )  0.00  0.00  5.50
assign (resid  10 and name HA    )(resid  15 and name HB1   )  0.00  0.00  5.50
assign (resid  10 and name HA    )(resid  15 and name HB*   )  0.00  0.00  4.95
assign (resid  10 and name HA    )(resid  15 and name HG    )  0.00  0.00  5.50
assign (resid  10 and name HA    )(resid  15 and name HD1*  )  0.00  0.00  6.53
assign (resid  10 and name HA    )(resid  15 and name HD2*  )  0.00  0.00  6.53
assign (resid  10 and name HA    )(resid  15 and name HD*   )  0.00  0.00  5.68
assign (resid  17 and name HB*   )(resid  22 and name HN    )  0.00  0.00  6.39
assign (resid  25 and name HG*   )(resid  30 and name HA    )  0.00  0.00  6.39
assign (resid  26 and name HN    )(resid  31 and name HA    )  0.00  0.00  3.05
assign (resid  26 and name HN    )(resid  31 and name HB1   )  0.00  0.00  5.50
assign (resid  26 and name HN    )(resid  31 and name HD2   )  0.00  0.00  5.50
assign (resid  26 and name HA    )(resid  31 and name HA    )  0.00  0.00  5.22
assign (resid  26 and name HG1*  )(resid  31 and name HA    )  0.00  0.00  6.28
assign (resid  26 and name HG2*  )(resid  31 and name HA    )  0.00  0.00  6.28
assign (resid  26 and name HG*   )(resid  31 and name HA    )  0.00  0.00  5.57
! total in this range:     18
! range |i-j| =     6
assign (resid   4 and name HG1*  )(resid  10 and name HA    )  0.00  0.00  5.57
assign (resid   4 and name HG1*  )(resid  10 and name HB2   )  0.00  0.00  5.78
assign (resid   4 and name HG1*  )(resid  10 and name HB1   )  0.00  0.00  5.78
assign (resid   4 and name HG2*  )(resid  10 and name HA    )  0.00  0.00  5.57
assign (resid   4 and name HG2*  )(resid  10 and name HB2   )  0.00  0.00  5.78
assign (resid   4 and name HG2*  )(resid  10 and name HB1   )  0.00  0.00  5.78
assign (resid   4 and name HG*   )(resid  10 and name HB*   )  0.00  0.00  4.90
assign (resid   9 and name HD*   )(resid  15 and name HD*   )  0.00  0.00 10.64
assign (resid  17 and name HN    )(resid  23 and name HB*   )  0.00  0.00  6.39
assign (resid  25 and name HN    )(resid  31 and name HA    )  0.00  0.00  4.94
assign (resid  25 and name HA    )(resid  31 and name HA    )  0.00  0.00  2.71
assign (resid  25 and name HA    )(resid  31 and name HB2   )  0.00  0.00  5.25
assign (resid  25 and name HA    )(resid  31 and name HB1   )  0.00  0.00  4.17
assign (resid  25 and name HA    )(resid  31 and name HD2   )  0.00  0.00  4.14
assign (resid  25 and name HB2   )(resid  31 and name HA    )  0.00  0.00  5.50
assign (resid  25 and name HB2   )(resid  31 and name HD2   )  0.00  0.00  5.50
assign (resid  25 and name HB1   )(resid  31 and name HA    )  0.00  0.00  5.50
assign (resid  25 and name HB1   )(resid  31 and name HD2   )  0.00  0.00  5.50
assign (resid  25 and name HB*   )(resid  31 and name HD2   )  0.00  0.00  4.68
assign (resid  25 and name HG*   )(resid  31 and name HA    )  0.00  0.00  6.39
assign (resid  25 and name HG*   )(resid  31 and name HD2   )  0.00  0.00  6.30
assign (resid  25 and name HD*   )(resid  31 and name HA    )  0.00  0.00  6.39
assign (resid  25 and name HD*   )(resid  31 and name HD2   )  0.00  0.00  6.39
assign (resid  26 and name HN    )(resid  32 and name HN    )  0.00  0.00  3.70
assign (resid  26 and name HA    )(resid  32 and name HB*   )  0.00  0.00  6.39
assign (resid  26 and name HG1*  )(resid  32 and name HN    )  0.00  0.00  5.07
assign (resid  26 and name HG1*  )(resid  32 and name HA    )  0.00  0.00  6.53
assign (resid  26 and name HG1*  )(resid  32 and name HB*   )  0.00  0.00  5.68
assign (resid  26 and name HG1*  )(resid  32 and name HG*   )  0.00  0.00  6.95
assign (resid  26 and name HG1*  )(resid  32 and name HE*   )  0.00  0.00  7.42
assign (resid  26 and name HG2*  )(resid  32 and name HN    )  0.00  0.00  5.07
assign (resid  26 and name HG2*  )(resid  32 and name HA    )  0.00  0.00  6.53
assign (resid  26 and name HG2*  )(resid  32 and name HB*   )  0.00  0.00  5.68
assign (resid  26 and name HG2*  )(resid  32 and name HG*   )  0.00  0.00  6.95
assign (resid  26 and name HG2*  )(resid  32 and name HE*   )  0.00  0.00  7.42
assign (resid  26 and name HG*   )(resid  32 and name HB*   )  0.00  0.00  5.36
assign (resid  26 and name HG*   )(resid  32 and name HG*   )  0.00  0.00  6.41
assign (resid  26 and name HG*   )(resid  32 and name HD*   )  0.00  0.00  6.88
assign (resid  26 and name HG*   )(resid  32 and name HE*   )  0.00  0.00  7.10
! total in this range:     39
! range |i-j| =     7
assign (resid  24 and name HN    )(resid  31 and name HB1   )  0.00  0.00  5.50
assign (resid  25 and name HA    )(resid  32 and name HN    )  0.00  0.00  3.50
assign (resid  26 and name HG1*  )(resid  33 and name HN    )  0.00  0.00  6.16
assign (resid  26 and name HG2*  )(resid  33 and name HN    )  0.00  0.00  6.16
assign (resid  26 and name HG*   )(resid  33 and name HN    )  0.00  0.00  5.57
! total in this range:      5
! range |i-j| =     8
assign (resid  24 and name HN    )(resid  32 and name HN    )  0.00  0.00  5.00
! hydrogen bond
assign (resid  24 and name O     )(resid  32 and name HN    )  2.20  0.20  0.00
! hydrogen bond
assign (resid  24 and name O     )(resid  32 and name N     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  24 and name HN    )(resid  32 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  24 and name N     )(resid  32 and name O     )  3.20  0.30  0.00
assign (resid  26 and name HA    )(resid  34 and name HG2*  )  0.00  0.00  6.53
assign (resid  26 and name HA    )(resid  34 and name HD*   )  0.00  0.00  6.53
assign (resid  26 and name HG*   )(resid  34 and name HG2*  )  0.00  0.00  9.10
! total in this range:      8
! range |i-j| =     9
assign (resid  24 and name HN    )(resid  33 and name HA    )  0.00  0.00  3.92
! total in this range:      1
! range |i-j| =    10
assign (resid  24 and name HN    )(resid  34 and name HN    )  0.00  0.00  3.98
assign (resid  24 and name HN    )(resid  34 and name HD*   )  0.00  0.00  6.47
assign (resid  24 and name HB*   )(resid  34 and name HN    )  0.00  0.00  6.39
assign (resid  24 and name HB*   )(resid  34 and name HD*   )  0.00  0.00  5.96
assign (resid  24 and name HD*   )(resid  34 and name HN    )  0.00  0.00  6.39
assign (resid  24 and name HD*   )(resid  34 and name HG2*  )  0.00  0.00  6.12
assign (resid  24 and name HE*   )(resid  34 and name HB    )  0.00  0.00  6.39
assign (resid  24 and name HE*   )(resid  34 and name HG2*  )  0.00  0.00  6.95
assign (resid  24 and name HE*   )(resid  34 and name HD*   )  0.00  0.00  7.29
! total in this range:      9
! range |i-j| =    11
assign (resid   4 and name HA    )(resid  15 and name HD*   )  0.00  0.00  8.07
assign (resid   4 and name HG*   )(resid  15 and name HD*   )  0.00  0.00 10.15
assign (resid  22 and name HN    )(resid  33 and name HA    )  0.00  0.00  3.92
assign (resid  23 and name HN    )(resid  34 and name HG1*  )  0.00  0.00  6.39
assign (resid  23 and name HN    )(resid  34 and name HD*   )  0.00  0.00  6.40
! total in this range:      5
! range |i-j| =    12
assign (resid  21 and name HA    )(resid  33 and name HB*   )  0.00  0.00  6.11
assign (resid  21 and name HB2   )(resid  33 and name HA    )  0.00  0.00  5.19
assign (resid  21 and name HB2   )(resid  33 and name HB2   )  0.00  0.00  5.00
assign (resid  21 and name HB2   )(resid  33 and name HB1   )  0.00  0.00  5.00
assign (resid  21 and name HB1   )(resid  33 and name HA    )  0.00  0.00  5.19
assign (resid  21 and name HB1   )(resid  33 and name HB2   )  0.00  0.00  5.00
assign (resid  21 and name HB1   )(resid  33 and name HB1   )  0.00  0.00  5.00
assign (resid  21 and name HB*   )(resid  33 and name HA    )  0.00  0.00  4.93
assign (resid  21 and name HD1*  )(resid  33 and name HA    )  0.00  0.00  6.53
assign (resid  21 and name HD1*  )(resid  33 and name HB2   )  0.00  0.00  6.09
assign (resid  21 and name HD1*  )(resid  33 and name HB1   )  0.00  0.00  6.09
assign (resid  21 and name HD2*  )(resid  33 and name HA    )  0.00  0.00  6.53
assign (resid  21 and name HD2*  )(resid  33 and name HB2   )  0.00  0.00  6.09
assign (resid  21 and name HD2*  )(resid  33 and name HB1   )  0.00  0.00  6.09
assign (resid  21 and name HD*   )(resid  33 and name HA    )  0.00  0.00  5.82
assign (resid  21 and name HD*   )(resid  33 and name HB*   )  0.00  0.00  4.85
assign (resid  22 and name HN    )(resid  34 and name HN    )  0.00  0.00  3.17
assign (resid  22 and name HB*   )(resid  34 and name HD*   )  0.00  0.00  6.27
! hydrogen bond
assign (resid  22 and name HN    )(resid  34 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  22 and name N     )(resid  34 and name O     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  22 and name O     )(resid  34 and name HN    )  2.20  0.20  0.00
! hydrogen bond
assign (resid  22 and name O     )(resid  34 and name N     )  3.20  0.30  0.00
! total in this range:     22
! range |i-j| =    13
assign (resid   4 and name HN    )(resid  17 and name HB2   )  0.00  0.00  5.50
assign (resid   4 and name HN    )(resid  17 and name HB1   )  0.00  0.00  5.50
assign (resid   4 and name HA    )(resid  17 and name HA    )  0.00  0.00  4.14
assign (resid   4 and name HB    )(resid  17 and name HA    )  0.00  0.00  3.05
assign (resid   4 and name HG1*  )(resid  17 and name HA    )  0.00  0.00  4.85
assign (resid   4 and name HG2*  )(resid  17 and name HA    )  0.00  0.00  4.85
assign (resid   4 and name HG*   )(resid  17 and name HA    )  0.00  0.00  4.50
assign (resid   4 and name HG*   )(resid  17 and name HB*   )  0.00  0.00  8.46
assign (resid   5 and name HA    )(resid  18 and name HN    )  0.00  0.00  5.31
assign (resid   5 and name HA    )(resid  18 and name HB2   )  0.00  0.00  5.22
assign (resid   5 and name HA    )(resid  18 and name HB1   )  0.00  0.00  5.25
assign (resid  21 and name HA    )(resid  34 and name HN    )  0.00  0.00  4.17
assign (resid  21 and name HB2   )(resid  34 and name HN    )  0.00  0.00  5.13
assign (resid  21 and name HB1   )(resid  34 and name HN    )  0.00  0.00  5.13
assign (resid  21 and name HB*   )(resid  34 and name HN    )  0.00  0.00  4.99
assign (resid  21 and name HD*   )(resid  34 and name HN    )  0.00  0.00  8.07
assign (resid  21 and name HD*   )(resid  34 and name HA    )  0.00  0.00  8.07
assign (resid  22 and name HN    )(resid  35 and name HA*   )  0.00  0.00  5.03
! total in this range:     18
! range |i-j| =    14
assign (resid   4 and name HN    )(resid  18 and name HN    )  0.00  0.00  3.42
assign (resid   4 and name HA    )(resid  18 and name HN    )  0.00  0.00  5.50
assign (resid   4 and name HB    )(resid  18 and name HN    )  0.00  0.00  4.23
assign (resid   4 and name HG1*  )(resid  18 and name HN    )  0.00  0.00  6.53
assign (resid   4 and name HG2*  )(resid  18 and name HN    )  0.00  0.00  6.53
assign (resid   4 and name HG*   )(resid  18 and name HN    )  0.00  0.00  5.93
! hydrogen bond
assign (resid   4 and name O     )(resid  18 and name HN    )  2.20  0.20  0.00
! hydrogen bond
assign (resid   4 and name O     )(resid  18 and name N     )  3.20  0.30  0.00
assign (resid   7 and name HN    )(resid  21 and name HD1*  )  0.00  0.00  6.37
assign (resid   7 and name HN    )(resid  21 and name HD2*  )  0.00  0.00  6.37
assign (resid   7 and name HN    )(resid  21 and name HD*   )  0.00  0.00  5.42
assign (resid  21 and name HA    )(resid  35 and name HA*   )  0.00  0.00  4.78
assign (resid  21 and name HD1*  )(resid  35 and name HA2   )  0.00  0.00  7.69
assign (resid  21 and name HD1*  )(resid  35 and name HA1   )  0.00  0.00  7.69
assign (resid  21 and name HD2*  )(resid  35 and name HA2   )  0.00  0.00  7.69
assign (resid  21 and name HD2*  )(resid  35 and name HA1   )  0.00  0.00  7.69
assign (resid  21 and name HD*   )(resid  35 and name HN    )  0.00  0.00  6.52
assign (resid  21 and name HD*   )(resid  35 and name HA*   )  0.00  0.00  6.01
! total in this range:     18
! range |i-j| =    15
assign (resid   3 and name HA    )(resid  18 and name HA    )  0.00  0.00  3.42
assign (resid   3 and name HB2   )(resid  18 and name HN    )  0.00  0.00  4.35
assign (resid   3 and name HB2   )(resid  18 and name HA    )  0.00  0.00  3.24
assign (resid   3 and name HB2   )(resid  18 and name HB1   )  0.00  0.00  5.50
assign (resid   3 and name HB1   )(resid  18 and name HN    )  0.00  0.00  4.85
assign (resid   3 and name HB1   )(resid  18 and name HA    )  0.00  0.00  3.58
assign (resid   3 and name HB1   )(resid  18 and name HB1   )  0.00  0.00  3.02
assign (resid   6 and name HN    )(resid  21 and name HD1*  )  0.00  0.00  5.94
assign (resid   6 and name HN    )(resid  21 and name HD2*  )  0.00  0.00  5.94
assign (resid   6 and name HN    )(resid  21 and name HD*   )  0.00  0.00  4.96
assign (resid   6 and name HA    )(resid  21 and name HB*   )  0.00  0.00  6.39
assign (resid   6 and name HA    )(resid  21 and name HD1*  )  0.00  0.00  5.10
assign (resid   6 and name HA    )(resid  21 and name HD2*  )  0.00  0.00  5.10
assign (resid   6 and name HA    )(resid  21 and name HD*   )  0.00  0.00  4.43
assign (resid   6 and name HB*   )(resid  21 and name HD*   )  0.00  0.00  7.88
assign (resid   6 and name HG*   )(resid  21 and name HD*   )  0.00  0.00  6.95
assign (resid   6 and name HD*   )(resid  21 and name HD*   )  0.00  0.00  7.13
assign (resid   6 and name HE*   )(resid  21 and name HD*   )  0.00  0.00  8.96
! total in this range:     18
! range |i-j| =    16
assign (resid   3 and name HB2   )(resid  19 and name HN    )  0.00  0.00  4.60
assign (resid   5 and name HN    )(resid  21 and name HD*   )  0.00  0.00  7.14
assign (resid   5 and name HA    )(resid  21 and name HD*   )  0.00  0.00  5.99
assign (resid  17 and name HA    )(resid  33 and name HB*   )  0.00  0.00  5.73
assign (resid  17 and name HB2   )(resid  33 and name HB2   )  0.00  0.00  5.50
assign (resid  17 and name HB2   )(resid  33 and name HB1   )  0.00  0.00  5.50
assign (resid  17 and name HB1   )(resid  33 and name HB2   )  0.00  0.00  5.50
assign (resid  17 and name HB1   )(resid  33 and name HB1   )  0.00  0.00  5.50
assign (resid  17 and name HB*   )(resid  33 and name HA    )  0.00  0.00  6.39
assign (resid  17 and name HB*   )(resid  33 and name HB*   )  0.00  0.00  4.37
! total in this range:     10
! range |i-j| =    19
assign (resid   7 and name HA    )(resid  26 and name HG1*  )  0.00  0.00  6.53
assign (resid   7 and name HA    )(resid  26 and name HG2*  )  0.00  0.00  6.53
assign (resid   7 and name HA    )(resid  26 and name HG*   )  0.00  0.00  6.15
assign (resid  12 and name HB2   )(resid  31 and name HD2   )  0.00  0.00  4.38
assign (resid  12 and name HB1   )(resid  31 and name HD2   )  0.00  0.00  5.50
assign (resid  12 and name HG*   )(resid  31 and name HD2   )  0.00  0.00  6.40
assign (resid  12 and name HD2   )(resid  31 and name HD2   )  0.00  0.00  5.50
assign (resid  12 and name HD1   )(resid  31 and name HD2   )  0.00  0.00  5.50
assign (resid  12 and name HD*   )(resid  31 and name HD2   )  0.00  0.00  4.88
! total in this range:      9
! range |i-j| =    20
assign (resid  11 and name HA    )(resid  31 and name HB2   )  0.00  0.00  5.50
assign (resid  11 and name HA    )(resid  31 and name HB1   )  0.00  0.00  5.50
assign (resid  11 and name HA    )(resid  31 and name HD2   )  0.00  0.00  5.50
assign (resid  11 and name HG2*  )(resid  31 and name HD2   )  0.00  0.00  6.53
! total in this range:      4
! range |i-j| =    21
assign (resid   9 and name HD1*  )(resid  30 and name HB2   )  0.00  0.00  7.25
assign (resid   9 and name HD1*  )(resid  30 and name HB1   )  0.00  0.00  7.25
assign (resid   9 and name HD2*  )(resid  30 and name HB2   )  0.00  0.00  7.25
assign (resid   9 and name HD2*  )(resid  30 and name HB1   )  0.00  0.00  7.25
assign (resid   9 and name HD*   )(resid  30 and name HA    )  0.00  0.00  7.61
assign (resid  10 and name HN    )(resid  31 and name HB1   )  0.00  0.00  5.50
! hydrogen bond
assign (resid  10 and name HN    )(resid  31 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  10 and name N     )(resid  31 and name O     )  3.20  0.30  0.00
! total in this range:      8
! range |i-j| =    22
assign (resid   9 and name HD*   )(resid  31 and name HA    )  0.00  0.00  6.55
assign (resid   9 and name HD*   )(resid  31 and name HB1   )  0.00  0.00  8.07
assign (resid  10 and name HN    )(resid  32 and name HA    )  0.00  0.00  3.39
assign (resid  10 and name HN    )(resid  32 and name HB*   )  0.00  0.00  6.39
assign (resid  10 and name HN    )(resid  32 and name HG*   )  0.00  0.00  6.39
! total in this range:      5
! range |i-j| =    23
assign (resid   9 and name HA    )(resid  32 and name HA    )  0.00  0.00  3.73
assign (resid   9 and name HG    )(resid  32 and name HA    )  0.00  0.00  5.50
assign (resid   9 and name HD1*  )(resid  32 and name HE*   )  0.00  0.00  7.42
assign (resid   9 and name HD2*  )(resid  32 and name HE*   )  0.00  0.00  7.42
assign (resid   9 and name HD*   )(resid  32 and name HA    )  0.00  0.00  6.64
assign (resid   9 and name HD*   )(resid  32 and name HG*   )  0.00  0.00  7.60
assign (resid  10 and name HB*   )(resid  33 and name HN    )  0.00  0.00  6.39
! total in this range:      7
! range |i-j| =    24
assign (resid   8 and name HA    )(resid  32 and name HG*   )  0.00  0.00  6.39
! total in this range:      1
! range |i-j| =    25
assign (resid   7 and name HN    )(resid  32 and name HB*   )  0.00  0.00  5.96
assign (resid   7 and name HA    )(resid  32 and name HB*   )  0.00  0.00  6.39
assign (resid   7 and name HA    )(resid  32 and name HG*   )  0.00  0.00  6.39
assign (resid   7 and name HA    )(resid  32 and name HD*   )  0.00  0.00  5.18
assign (resid   7 and name HA    )(resid  32 and name HE*   )  0.00  0.00  6.39
assign (resid   8 and name HN    )(resid  33 and name HN    )  0.00  0.00  3.64
assign (resid   8 and name HN    )(resid  33 and name HB*   )  0.00  0.00  5.27
assign (resid   8 and name HA    )(resid  33 and name HB*   )  0.00  0.00  6.11
! hydrogen bond
assign (resid   8 and name O     )(resid  33 and name HN    )  2.20  0.20  0.00
! hydrogen bond
assign (resid   8 and name O     )(resid  33 and name N     )  3.20  0.30  0.00
! total in this range:     10
! range |i-j| =    26
assign (resid   7 and name HN    )(resid  33 and name HN    )  0.00  0.00  3.73
assign (resid   7 and name HN    )(resid  33 and name HA    )  0.00  0.00  5.28
assign (resid   7 and name HN    )(resid  33 and name HB*   )  0.00  0.00  5.11
assign (resid   7 and name HA    )(resid  33 and name HN    )  0.00  0.00  4.51
assign (resid   7 and name HA    )(resid  33 and name HB*   )  0.00  0.00  5.83
! total in this range:      5
! range |i-j| =    27
assign (resid   6 and name HA    )(resid  33 and name HN    )  0.00  0.00  3.98
assign (resid   6 and name HA    )(resid  33 and name HA    )  0.00  0.00  5.22
assign (resid   6 and name HA    )(resid  33 and name HB2   )  0.00  0.00  3.92
assign (resid   6 and name HA    )(resid  33 and name HB1   )  0.00  0.00  3.92
assign (resid   6 and name HA    )(resid  33 and name HB*   )  0.00  0.00  3.60
assign (resid   6 and name HB*   )(resid  33 and name HB*   )  0.00  0.00  6.38
assign (resid   7 and name HN    )(resid  34 and name HG2*  )  0.00  0.00  6.53
! total in this range:      7
! range |i-j| =    29
assign (resid   4 and name HG1*  )(resid  33 and name HB2   )  0.00  0.00  8.30
assign (resid   4 and name HG1*  )(resid  33 and name HB1   )  0.00  0.00  8.30
assign (resid   4 and name HG2*  )(resid  33 and name HB2   )  0.00  0.00  8.30
assign (resid   4 and name HG2*  )(resid  33 and name HB1   )  0.00  0.00  8.30
assign (resid   4 and name HG*   )(resid  33 and name HN    )  0.00  0.00  7.57
assign (resid   4 and name HG*   )(resid  33 and name HB*   )  0.00  0.00  7.02
! total in this range:      6
! total constraints:      630
set echo=true end
set wrnlev=5 end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HN   PCA   1           HN       PCA   1 -13.530  -9.087  -5.487
    2    HA   PCA   1           HA       PCA   1 -13.608  -8.240  -2.993
    3   1HB   PCA   1          1HB       PCA   1 -10.661  -7.721  -3.370
    4   2HB   PCA   1          2HB       PCA   1 -11.543  -8.249  -1.905
    5   1HG   PCA   1          1HG       PCA   1 -10.079  -9.965  -3.571
    6   2HG   PCA   1          2HG       PCA   1 -11.415 -10.499  -2.504
    7    H    GLN   2           H        GLN   2 -13.296  -5.940  -2.488
    8    HA   GLN   2           HA       GLN   2 -14.026  -4.286  -4.629
    9   1HB   GLN   2          2HB       GLN   2 -14.653  -3.742  -2.358
   10   2HB   GLN   2          1HB       GLN   2 -12.966  -3.571  -1.893
   11   1HG   GLN   2          2HG       GLN   2 -12.796  -1.684  -3.517
   12   2HG   GLN   2          1HG       GLN   2 -14.539  -1.803  -3.747
   13   1HE2  GLN   2          1HE2      GLN   2 -11.986  -0.813  -1.647
   14   2HE2  GLN   2          2HE2      GLN   2 -12.971  -0.012  -0.476
   15    H    CYS   3           H        CYS   3 -12.860  -2.164  -5.047
   16    HA   CYS   3           HA       CYS   3 -10.289  -2.802  -6.171
   17   1HB   CYS   3          2HB       CYS   3 -10.515  -0.881  -7.417
   18   2HB   CYS   3          1HB       CYS   3 -12.208  -1.205  -7.078
   19    H    VAL   4           H        VAL   4  -9.088  -0.270  -5.997
   20    HA   VAL   4           HA       VAL   4  -8.648   0.328  -3.197
   21    HB   VAL   4           HB       VAL   4  -6.258  -0.428  -4.863
   22   1HG1  VAL   4          1HG1      VAL   4  -5.937   1.118  -2.961
   23   2HG1  VAL   4          2HG1      VAL   4  -5.092  -0.416  -2.748
   24   3HG1  VAL   4          3HG1      VAL   4  -6.599  -0.111  -1.883
   25   1HG2  VAL   4          1HG2      VAL   4  -6.183  -2.561  -3.832
   26   2HG2  VAL   4          2HG2      VAL   4  -7.816  -2.369  -4.471
   27   3HG2  VAL   4          3HG2      VAL   4  -7.512  -2.157  -2.747
   28    H    LYS   5           H        LYS   5  -8.405   2.436  -2.995
   29    HA   LYS   5           HA       LYS   5  -8.245   4.106  -5.303
   30   1HB   LYS   5          2HB       LYS   5  -9.130   4.363  -2.642
   31   2HB   LYS   5          1HB       LYS   5  -7.858   5.552  -2.862
   32   1HG   LYS   5          2HG       LYS   5  -9.376   6.880  -3.781
   33   2HG   LYS   5          1HG       LYS   5  -9.429   5.766  -5.148
   34   1HD   LYS   5          2HD       LYS   5 -11.660   6.261  -4.147
   35   2HD   LYS   5          1HD       LYS   5 -11.243   4.545  -4.167
   36   1HE   LYS   5          2HE       LYS   5 -11.285   4.404  -1.936
   37   2HE   LYS   5          1HE       LYS   5 -10.367   5.897  -1.742
   38   1HZ   LYS   5          1HZ       LYS   5 -12.456   7.120  -2.178
   39   2HZ   LYS   5          2HZ       LYS   5 -12.514   6.181  -0.772
   40   3HZ   LYS   5          3HZ       LYS   5 -13.293   5.649  -2.176
   41    H    LYS   6           H        LYS   6  -6.600   5.491  -5.924
   42    HA   LYS   6           HA       LYS   6  -3.967   4.640  -5.590
   43   1HB   LYS   6          2HB       LYS   6  -4.653   5.998  -7.490
   44   2HB   LYS   6          1HB       LYS   6  -5.009   7.352  -6.427
   45   1HG   LYS   6          2HG       LYS   6  -2.260   6.253  -6.354
   46   2HG   LYS   6          1HG       LYS   6  -2.742   7.164  -7.787
   47   1HD   LYS   6          2HD       LYS   6  -3.450   8.375  -5.192
   48   2HD   LYS   6          1HD       LYS   6  -1.725   8.294  -5.558
   49   1HE   LYS   6          2HE       LYS   6  -2.912   9.162  -7.920
   50   2HE   LYS   6          1HE       LYS   6  -3.769  10.030  -6.646
   51   1HZ   LYS   6          1HZ       LYS   6  -1.789  10.982  -5.878
   52   2HZ   LYS   6          2HZ       LYS   6  -1.690  11.105  -7.562
   53   3HZ   LYS   6          3HZ       LYS   6  -0.814   9.908  -6.750
   54    H    ASP   7           H        ASP   7  -2.319   5.195  -4.247
   55    HA   ASP   7           HA       ASP   7  -1.185   6.456  -2.643
   56   1HB   ASP   7          2HB       ASP   7  -2.520   8.443  -2.982
   57   2HB   ASP   7          1HB       ASP   7  -3.899   7.706  -2.172
   58    H    GLU   8           H        GLU   8  -3.891   4.450  -2.360
   59    HA   GLU   8           HA       GLU   8  -3.595   4.025   0.503
   60   1HB   GLU   8          2HB       GLU   8  -5.472   2.924  -1.580
   61   2HB   GLU   8          1HB       GLU   8  -5.396   2.254   0.044
   62   1HG   GLU   8          2HG       GLU   8  -5.718   4.782   0.723
   63   2HG   GLU   8          1HG       GLU   8  -6.431   4.874  -0.886
   64    H    LEU   9           H        LEU   9  -2.876   2.099   1.435
   65    HA   LEU   9           HA       LEU   9  -0.772   0.799   0.119
   66   1HB   LEU   9          2HB       LEU   9  -2.308   0.161   2.622
   67   2HB   LEU   9          1HB       LEU   9  -0.926  -0.779   2.093
   68    HG   LEU   9           HG       LEU   9  -0.792   1.322   3.797
   69   1HD1  LEU   9          1HD1      LEU   9   1.475   0.774   1.924
   70   2HD1  LEU   9          2HD1      LEU   9   0.919  -0.456   3.059
   71   3HD1  LEU   9          3HD1      LEU   9   1.514   1.093   3.658
   72   1HD2  LEU   9          1HD2      LEU   9  -1.044   3.221   2.645
   73   2HD2  LEU   9          2HD2      LEU   9  -0.831   2.415   1.091
   74   3HD2  LEU   9          3HD2      LEU   9   0.579   2.898   2.034
   75    H    CYS  10           H        CYS  10  -0.801  -1.797   0.439
   76    HA   CYS  10           HA       CYS  10  -3.080  -3.266  -0.189
   77   1HB   CYS  10          2HB       CYS  10  -2.578  -1.717  -2.326
   78   2HB   CYS  10          1HB       CYS  10  -1.502  -3.058  -2.702
   79    H    ILE  11           H        ILE  11  -2.192  -5.339  -1.648
   80    HA   ILE  11           HA       ILE  11   0.481  -6.011  -0.693
   81    HB   ILE  11           HB       ILE  11  -1.612  -8.082  -0.316
   82   1HG1  ILE  11          2HG1      ILE  11  -1.063  -6.026   1.820
   83   2HG1  ILE  11          1HG1      ILE  11  -2.428  -5.890   0.715
   84   1HG2  ILE  11          1HG2      ILE  11   1.011  -8.147   0.032
   85   2HG2  ILE  11          2HG2      ILE  11  -0.086  -9.048   1.080
   86   3HG2  ILE  11          3HG2      ILE  11   0.569  -7.500   1.612
   87   1HD1  ILE  11          1HD1      ILE  11  -2.274  -7.317   3.132
   88   2HD1  ILE  11          2HD1      ILE  11  -2.407  -8.507   1.836
   89   3HD1  ILE  11          3HD1      ILE  11  -3.620  -7.236   1.995
   90    HA   PRO  12           HA       PRO  12   0.564  -7.598  -4.862
   91   1HB   PRO  12          2HB       PRO  12   3.045  -8.730  -4.678
   92   2HB   PRO  12          1HB       PRO  12   2.776  -7.004  -4.946
   93   1HG   PRO  12          2HG       PRO  12   3.414  -8.450  -2.405
   94   2HG   PRO  12          1HG       PRO  12   4.053  -6.910  -3.009
   95   1HD   PRO  12          2HD       PRO  12   2.129  -7.019  -1.124
   96   2HD   PRO  12          1HD       PRO  12   2.185  -5.725  -2.339
   97    H    TYR  13           H        TYR  13  -0.557  -9.357  -5.396
   98    HA   TYR  13           HA       TYR  13  -0.869 -11.633  -5.740
   99   1HB   TYR  13          2HB       TYR  13   0.708 -12.287  -3.271
  100   2HB   TYR  13          1HB       TYR  13   0.453 -13.263  -4.714
  101    HD1  TYR  13           HD1      TYR  13   1.132 -10.999  -6.696
  102    HD2  TYR  13           HD2      TYR  13   3.092 -12.484  -3.225
  103    HE1  TYR  13           HE1      TYR  13   3.290 -10.234  -7.595
  104    HE2  TYR  13           HE2      TYR  13   5.255 -11.723  -4.113
  105    HH   TYR  13           HH       TYR  13   5.609 -10.582  -7.364
  106    H    TYR  14           H        TYR  14  -2.167  -9.641  -3.858
  107    HA   TYR  14           HA       TYR  14  -3.851 -11.604  -2.479
  108   1HB   TYR  14          2HB       TYR  14  -2.200  -9.536  -1.244
  109   2HB   TYR  14          1HB       TYR  14  -3.893  -9.427  -0.774
  110    HD1  TYR  14           HD1      TYR  14  -4.986 -11.725  -0.060
  111    HD2  TYR  14           HD2      TYR  14  -0.807 -10.925  -0.035
  112    HE1  TYR  14           HE1      TYR  14  -4.655 -13.541   1.564
  113    HE2  TYR  14           HE2      TYR  14  -0.463 -12.740   1.589
  114    HH   TYR  14           HH       TYR  14  -2.856 -14.082   3.380
  115    H    LEU  15           H        LEU  15  -3.831  -8.057  -2.454
  116    HA   LEU  15           HA       LEU  15  -6.555  -8.120  -3.554
  117   1HB   LEU  15          2HB       LEU  15  -5.702  -5.542  -2.559
  118   2HB   LEU  15          1HB       LEU  15  -7.093  -6.509  -2.108
  119    HG   LEU  15           HG       LEU  15  -5.603  -7.828  -0.591
  120   1HD1  LEU  15          1HD1      LEU  15  -3.542  -5.951  -0.207
  121   2HD1  LEU  15          2HD1      LEU  15  -3.596  -6.302  -1.935
  122   3HD1  LEU  15          3HD1      LEU  15  -3.405  -7.616  -0.774
  123   1HD2  LEU  15          1HD2      LEU  15  -5.249  -5.108   0.411
  124   2HD2  LEU  15          2HD2      LEU  15  -6.171  -6.455   1.080
  125   3HD2  LEU  15          3HD2      LEU  15  -6.875  -5.444  -0.183
  126    H    ASP  16           H        ASP  16  -7.139  -6.136  -4.863
  127    HA   ASP  16           HA       ASP  16  -4.904  -5.277  -6.568
  128   1HB   ASP  16          2HB       ASP  16  -6.311  -5.534  -8.555
  129   2HB   ASP  16          1HB       ASP  16  -6.134  -7.073  -7.719
  130    H    CYS  17           H        CYS  17  -5.308  -3.268  -7.734
  131    HA   CYS  17           HA       CYS  17  -6.885  -1.446  -6.122
  132   1HB   CYS  17          2HB       CYS  17  -4.945  -0.951  -8.386
  133   2HB   CYS  17          1HB       CYS  17  -5.746   0.304  -7.459
  134    H    CYS  18           H        CYS  18  -8.097   0.312  -7.301
  135    HA   CYS  18           HA       CYS  18 -10.192  -0.808  -8.768
  136   1HB   CYS  18          2HB       CYS  18  -9.637   2.093  -9.093
  137   2HB   CYS  18          1HB       CYS  18 -11.147   1.265  -8.730
  138    H    GLU  19           H        GLU  19  -8.637   1.964 -10.215
  139    HA   GLU  19           HA       GLU  19  -7.205   0.866 -12.282
  140   1HB   GLU  19          2HB       GLU  19  -9.593  -0.158 -12.676
  141   2HB   GLU  19          1HB       GLU  19  -9.936   1.416 -13.380
  142   1HG   GLU  19          2HG       GLU  19  -7.483   0.536 -14.460
  143   2HG   GLU  19          1HG       GLU  19  -8.608  -0.817 -14.537
  144    HA   PRO  20           HA       PRO  20  -6.604   1.282 -14.228
  145   1HB   PRO  20          2HB       PRO  20  -4.589   2.558 -15.426
  146   2HB   PRO  20          1HB       PRO  20  -6.250   2.731 -16.009
  147   1HG   PRO  20          2HG       PRO  20  -4.621   4.601 -14.340
  148   2HG   PRO  20          1HG       PRO  20  -5.741   4.966 -15.664
  149   1HD   PRO  20          2HD       PRO  20  -6.353   5.140 -12.963
  150   2HD   PRO  20          1HD       PRO  20  -7.543   4.994 -14.269
  151    H    LEU  21           H        LEU  21  -5.931   2.590 -11.447
  152    HA   LEU  21           HA       LEU  21  -3.183   2.455 -11.019
  153   1HB   LEU  21          2HB       LEU  21  -5.336   1.729  -9.037
  154   2HB   LEU  21          1HB       LEU  21  -3.703   2.245  -8.666
  155    HG   LEU  21           HG       LEU  21  -5.588   4.037 -10.168
  156   1HD1  LEU  21          1HD1      LEU  21  -6.325   3.112  -7.777
  157   2HD1  LEU  21          2HD1      LEU  21  -6.628   4.770  -8.296
  158   3HD1  LEU  21          3HD1      LEU  21  -5.252   4.409  -7.254
  159   1HD2  LEU  21          1HD2      LEU  21  -3.965   5.547  -8.562
  160   2HD2  LEU  21          2HD2      LEU  21  -3.678   5.196 -10.266
  161   3HD2  LEU  21          3HD2      LEU  21  -2.908   4.213  -9.021
  162    H    GLU  22           H        GLU  22  -2.139   0.804  -9.517
  163    HA   GLU  22           HA       GLU  22  -2.999  -1.933 -10.133
  164   1HB   GLU  22          2HB       GLU  22  -1.238  -1.173 -11.760
  165   2HB   GLU  22          1HB       GLU  22  -0.137  -1.000 -10.401
  166   1HG   GLU  22          2HG       GLU  22  -0.034  -3.288 -10.027
  167   2HG   GLU  22          1HG       GLU  22  -1.520  -3.598 -10.924
  168    H    CYS  23           H        CYS  23  -3.330  -2.864  -8.226
  169    HA   CYS  23           HA       CYS  23  -2.254  -1.952  -5.786
  170   1HB   CYS  23          2HB       CYS  23  -4.267  -3.116  -5.575
  171   2HB   CYS  23          1HB       CYS  23  -3.735  -4.423  -6.627
  172    H    LYS  24           H        LYS  24   0.014  -1.844  -6.137
  173    HA   LYS  24           HA       LYS  24   1.356  -4.339  -5.505
  174   1HB   LYS  24          2HB       LYS  24   3.121  -3.561  -7.346
  175   2HB   LYS  24          1HB       LYS  24   1.794  -4.652  -7.720
  176   1HG   LYS  24          2HG       LYS  24   1.098  -3.244  -9.273
  177   2HG   LYS  24          1HG       LYS  24   0.815  -2.023  -8.030
  178   1HD   LYS  24          2HD       LYS  24   2.297  -1.196  -9.805
  179   2HD   LYS  24          1HD       LYS  24   3.113  -1.250  -8.240
  180   1HE   LYS  24          2HE       LYS  24   4.722  -2.201  -9.558
  181   2HE   LYS  24          1HE       LYS  24   3.828  -3.642  -9.076
  182   1HZ   LYS  24          1HZ       LYS  24   4.255  -3.661 -11.438
  183   2HZ   LYS  24          2HZ       LYS  24   3.503  -2.159 -11.629
  184   3HZ   LYS  24          3HZ       LYS  24   2.592  -3.506 -11.165
  185    H    LYS  25           H        LYS  25   3.977  -3.457  -5.897
  186    HA   LYS  25           HA       LYS  25   4.344  -1.836  -3.582
  187   1HB   LYS  25          2HB       LYS  25   5.956  -3.561  -4.173
  188   2HB   LYS  25          1HB       LYS  25   6.311  -2.743  -5.689
  189   1HG   LYS  25          2HG       LYS  25   7.313  -0.903  -4.541
  190   2HG   LYS  25          1HG       LYS  25   6.791  -1.532  -2.978
  191   1HD   LYS  25          2HD       LYS  25   9.216  -1.931  -3.591
  192   2HD   LYS  25          1HD       LYS  25   8.293  -3.352  -3.098
  193   1HE   LYS  25          2HE       LYS  25   8.928  -4.327  -4.992
  194   2HE   LYS  25          1HE       LYS  25   7.924  -3.163  -5.856
  195   1HZ   LYS  25          1HZ       LYS  25  10.775  -2.739  -5.138
  196   2HZ   LYS  25          2HZ       LYS  25   9.805  -1.696  -6.052
  197   3HZ   LYS  25          3HZ       LYS  25  10.222  -3.217  -6.664
  198    H    VAL  26           H        VAL  26   4.517   0.284  -3.392
  199    HA   VAL  26           HA       VAL  26   4.352   1.937  -5.779
  200    HB   VAL  26           HB       VAL  26   4.548   3.256  -3.152
  201   1HG1  VAL  26          1HG1      VAL  26   2.154   3.686  -4.735
  202   2HG1  VAL  26          2HG1      VAL  26   3.630   3.884  -5.681
  203   3HG1  VAL  26          3HG1      VAL  26   3.387   4.834  -4.215
  204   1HG2  VAL  26          1HG2      VAL  26   2.308   2.626  -2.431
  205   2HG2  VAL  26          2HG2      VAL  26   3.356   1.211  -2.518
  206   3HG2  VAL  26          3HG2      VAL  26   2.171   1.511  -3.789
  207    H    ASN  27           H        ASN  27   6.622   0.923  -3.409
  208    HA   ASN  27           HA       ASN  27   8.691   2.555  -4.677
  209   1HB   ASN  27          2HB       ASN  27   9.373   2.417  -1.953
  210   2HB   ASN  27          1HB       ASN  27   8.937   3.848  -2.876
  211   1HD2  ASN  27          1HD2      ASN  27   7.705   4.965  -1.512
  212   2HD2  ASN  27          2HD2      ASN  27   6.279   4.366  -0.741
  213    H    TRP  28           H        TRP  28   9.859   1.288  -1.880
  214    HA   TRP  28           HA       TRP  28  10.664  -1.229  -3.164
  215   1HB   TRP  28          2HB       TRP  28  12.872  -0.927  -2.594
  216   2HB   TRP  28          1HB       TRP  28  12.396   0.751  -2.845
  217    HD1  TRP  28           HD1      TRP  28  10.847   0.995   0.032
  218    HE1  TRP  28           HE1      TRP  28  12.290   1.259   2.146
  219    HE3  TRP  28           HE3      TRP  28  15.269  -0.837  -1.769
  220    HZ2  TRP  28           HZ2      TRP  28  14.952   0.759   2.943
  221    HZ3  TRP  28           HZ3      TRP  28  17.216  -0.909  -0.266
  222    HH2  TRP  28           HH2      TRP  28  17.058  -0.127   2.042
  223    H    TRP  29           H        TRP  29   9.316   0.314  -0.454
  224    HA   TRP  29           HA       TRP  29   9.316  -2.235   1.008
  225   1HB   TRP  29          2HB       TRP  29  10.130  -1.346   2.930
  226   2HB   TRP  29          1HB       TRP  29  10.848  -0.167   1.838
  227    HD1  TRP  29           HD1      TRP  29   7.627  -0.548   3.968
  228    HE1  TRP  29           HE1      TRP  29   6.946   1.792   4.796
  229    HE3  TRP  29           HE3      TRP  29  11.202   2.229   1.590
  230    HZ2  TRP  29           HZ2      TRP  29   7.810   4.461   4.483
  231    HZ3  TRP  29           HZ3      TRP  29  11.205   4.669   1.907
  232    HH2  TRP  29           HH2      TRP  29   9.543   5.760   3.324
  233    H    ASP  30           H        ASP  30   7.748   0.823   0.305
  234    HA   ASP  30           HA       ASP  30   5.361   0.051   1.785
  235   1HB   ASP  30          2HB       ASP  30   6.532   2.495   1.267
  236   2HB   ASP  30          1HB       ASP  30   5.172   2.466   0.148
  237    H    HIS  31           H        HIS  31   3.704  -0.965   0.893
  238    HA   HIS  31           HA       HIS  31   3.531  -1.069  -2.039
  239   1HB   HIS  31          2HB       HIS  31   2.943  -3.012   0.137
  240   2HB   HIS  31          1HB       HIS  31   1.923  -3.068  -1.294
  241    HD1  HIS  31           HD1      HIS  31   5.684  -2.844  -0.708
  242    HD2  HIS  31           HD2      HIS  31   2.907  -4.874  -3.038
  243    HE1  HIS  31           HE1      HIS  31   7.030  -4.409  -2.144
  244    HE2  HIS  31           HE2      HIS  31   5.325  -5.662  -3.514
  245    H    LYS  32           H        LYS  32   1.912  -0.002  -2.979
  246    HA   LYS  32           HA       LYS  32  -0.655   0.237  -1.626
  247   1HB   LYS  32          2HB       LYS  32   0.932   2.611  -2.614
  248   2HB   LYS  32          1HB       LYS  32  -0.762   2.671  -2.147
  249   1HG   LYS  32          2HG       LYS  32  -0.275   2.755   0.026
  250   2HG   LYS  32          1HG       LYS  32   0.953   1.494  -0.107
  251   1HD   LYS  32          2HD       LYS  32   2.148   3.401   0.535
  252   2HD   LYS  32          1HD       LYS  32   2.408   3.289  -1.207
  253   1HE   LYS  32          2HE       LYS  32   0.111   4.799  -0.998
  254   2HE   LYS  32          1HE       LYS  32   1.088   5.358   0.359
  255   1HZ   LYS  32          1HZ       LYS  32   2.459   6.420  -1.010
  256   2HZ   LYS  32          2HZ       LYS  32   1.330   6.156  -2.241
  257   3HZ   LYS  32          3HZ       LYS  32   2.623   5.084  -2.037
  258    H    CYS  33           H        CYS  33  -1.393   2.340  -3.571
  259    HA   CYS  33           HA       CYS  33  -1.855   0.582  -5.867
  260   1HB   CYS  33          2HB       CYS  33  -3.368   2.821  -4.599
  261   2HB   CYS  33          1HB       CYS  33  -3.617   2.487  -6.306
  262    H    ILE  34           H        ILE  34  -1.015   1.053  -7.805
  263    HA   ILE  34           HA       ILE  34   0.087   3.753  -8.221
  264    HB   ILE  34           HB       ILE  34   1.586   2.181  -9.886
  265   1HG1  ILE  34          2HG1      ILE  34   0.577   0.179  -8.694
  266   2HG1  ILE  34          1HG1      ILE  34   2.336   0.245  -8.723
  267   1HG2  ILE  34          1HG2      ILE  34   3.404   2.552  -8.246
  268   2HG2  ILE  34          2HG2      ILE  34   2.196   3.078  -7.074
  269   3HG2  ILE  34          3HG2      ILE  34   2.444   3.998  -8.559
  270   1HD1  ILE  34          1HD1      ILE  34   0.593   0.053  -6.494
  271   2HD1  ILE  34          2HD1      ILE  34   1.480   1.572  -6.383
  272   3HD1  ILE  34          3HD1      ILE  34   2.356   0.048  -6.525
  273    H    GLY  35           HN       GLY  35   0.923   2.462 -10.929
  274   1HA   GLY  35          2HA       GLY  35  -1.377   1.823 -12.387
  275   2HA   GLY  35          1HA       GLY  35  -1.171   3.567 -12.459
  Start of MODEL    2
    1    HN   PCA   1           HN       PCA   1 -15.382  -8.712  -5.039
    2    HA   PCA   1           HA       PCA   1 -14.133  -8.107  -2.865
    3   1HB   PCA   1          1HB       PCA   1 -11.611  -7.859  -4.478
    4   2HB   PCA   1          2HB       PCA   1 -11.851  -8.564  -2.852
    5   1HG   PCA   1          1HG       PCA   1 -11.526 -10.080  -5.176
    6   2HG   PCA   1          2HG       PCA   1 -12.377 -10.667  -3.713
    7    H    GLN   2           H        GLN   2 -12.894  -5.961  -2.569
    8    HA   GLN   2           HA       GLN   2 -14.129  -4.015  -4.365
    9   1HB   GLN   2          2HB       GLN   2 -13.029  -2.539  -2.355
   10   2HB   GLN   2          1HB       GLN   2 -14.670  -3.171  -2.349
   11   1HG   GLN   2          2HG       GLN   2 -13.610  -5.261  -1.264
   12   2HG   GLN   2          1HG       GLN   2 -12.250  -4.191  -0.924
   13   1HE2  GLN   2          1HE2      GLN   2 -15.388  -5.154  -0.023
   14   2HE2  GLN   2          2HE2      GLN   2 -15.610  -4.044   1.281
   15    H    CYS   3           H        CYS   3 -12.953  -2.208  -5.172
   16    HA   CYS   3           HA       CYS   3 -10.386  -2.872  -6.182
   17   1HB   CYS   3          2HB       CYS   3 -10.551  -0.956  -7.452
   18   2HB   CYS   3          1HB       CYS   3 -12.251  -1.230  -7.103
   19    H    VAL   4           H        VAL   4  -9.121  -0.354  -6.056
   20    HA   VAL   4           HA       VAL   4  -8.622   0.263  -3.274
   21    HB   VAL   4           HB       VAL   4  -6.283  -0.612  -4.953
   22   1HG1  VAL   4          1HG1      VAL   4  -6.188   0.980  -2.872
   23   2HG1  VAL   4          2HG1      VAL   4  -4.989  -0.297  -3.082
   24   3HG1  VAL   4          3HG1      VAL   4  -6.343  -0.531  -1.975
   25   1HG2  VAL   4          1HG2      VAL   4  -7.826  -2.511  -4.556
   26   2HG2  VAL   4          2HG2      VAL   4  -7.669  -2.229  -2.823
   27   3HG2  VAL   4          3HG2      VAL   4  -6.260  -2.707  -3.770
   28    H    LYS   5           H        LYS   5  -8.339   2.360  -3.119
   29    HA   LYS   5           HA       LYS   5  -8.055   3.965  -5.477
   30   1HB   LYS   5          2HB       LYS   5  -9.142   4.308  -2.908
   31   2HB   LYS   5          1HB       LYS   5  -7.836   5.472  -3.048
   32   1HG   LYS   5          2HG       LYS   5  -9.247   6.801  -4.120
   33   2HG   LYS   5          1HG       LYS   5  -9.205   5.654  -5.461
   34   1HD   LYS   5          2HD       LYS   5 -11.489   5.953  -4.940
   35   2HD   LYS   5          1HD       LYS   5 -11.041   4.389  -4.255
   36   1HE   LYS   5          2HE       LYS   5 -11.842   5.101  -2.307
   37   2HE   LYS   5          1HE       LYS   5 -10.507   6.250  -2.246
   38   1HZ   LYS   5          1HZ       LYS   5 -13.119   6.798  -3.544
   39   2HZ   LYS   5          2HZ       LYS   5 -11.861   7.899  -3.293
   40   3HZ   LYS   5          3HZ       LYS   5 -12.718   7.280  -1.973
   41    H    LYS   6           H        LYS   6  -6.356   5.308  -6.027
   42    HA   LYS   6           HA       LYS   6  -3.765   4.470  -5.494
   43   1HB   LYS   6          2HB       LYS   6  -4.039   5.773  -7.423
   44   2HB   LYS   6          1HB       LYS   6  -4.894   7.043  -6.557
   45   1HG   LYS   6          2HG       LYS   6  -2.982   8.159  -6.491
   46   2HG   LYS   6          1HG       LYS   6  -2.389   6.943  -5.358
   47   1HD   LYS   6          2HD       LYS   6  -1.198   5.824  -6.970
   48   2HD   LYS   6          1HD       LYS   6  -2.258   6.359  -8.276
   49   1HE   LYS   6          2HE       LYS   6  -0.091   7.430  -8.465
   50   2HE   LYS   6          1HE       LYS   6  -1.329   8.625  -8.078
   51   1HZ   LYS   6          1HZ       LYS   6  -0.620   8.322  -5.691
   52   2HZ   LYS   6          2HZ       LYS   6   0.490   9.107  -6.699
   53   3HZ   LYS   6          3HZ       LYS   6   0.729   7.486  -6.280
   54    H    ASP   7           H        ASP   7  -2.185   5.069  -4.069
   55    HA   ASP   7           HA       ASP   7  -1.178   6.334  -2.381
   56   1HB   ASP   7          2HB       ASP   7  -2.462   8.316  -2.698
   57   2HB   ASP   7          1HB       ASP   7  -3.941   7.530  -2.154
   58    H    GLU   8           H        GLU   8  -3.902   4.311  -2.274
   59    HA   GLU   8           HA       GLU   8  -3.689   3.789   0.582
   60   1HB   GLU   8          2HB       GLU   8  -5.480   2.571  -1.528
   61   2HB   GLU   8          1HB       GLU   8  -5.562   2.217   0.192
   62   1HG   GLU   8          2HG       GLU   8  -6.054   4.608   0.611
   63   2HG   GLU   8          1HG       GLU   8  -6.102   4.863  -1.133
   64    H    LEU   9           H        LEU   9  -2.897   1.913   1.470
   65    HA   LEU   9           HA       LEU   9  -0.829   0.594   0.162
   66   1HB   LEU   9          2HB       LEU   9  -2.450  -0.110   2.594
   67   2HB   LEU   9          1HB       LEU   9  -1.084  -1.070   2.065
   68    HG   LEU   9           HG       LEU   9  -1.001   1.062   3.813
   69   1HD1  LEU   9          1HD1      LEU   9   0.592  -0.807   3.602
   70   2HD1  LEU   9          2HD1      LEU   9   1.387   0.761   3.748
   71   3HD1  LEU   9          3HD1      LEU   9   1.276  -0.029   2.174
   72   1HD2  LEU   9          1HD2      LEU   9  -0.381   1.976   1.054
   73   2HD2  LEU   9          2HD2      LEU   9   0.634   2.550   2.377
   74   3HD2  LEU   9          3HD2      LEU   9  -1.103   2.855   2.401
   75    H    CYS  10           H        CYS  10  -0.973  -2.055   0.437
   76    HA   CYS  10           HA       CYS  10  -3.203  -3.473  -0.286
   77   1HB   CYS  10          2HB       CYS  10  -2.975  -1.758  -2.278
   78   2HB   CYS  10          1HB       CYS  10  -1.760  -2.900  -2.842
   79    H    ILE  11           H        ILE  11  -2.353  -5.332  -2.066
   80    HA   ILE  11           HA       ILE  11   0.370  -6.072  -1.378
   81    HB   ILE  11           HB       ILE  11  -1.700  -8.169  -0.964
   82   1HG1  ILE  11          2HG1      ILE  11  -0.862  -6.277   1.233
   83   2HG1  ILE  11          1HG1      ILE  11  -2.377  -6.114   0.352
   84   1HG2  ILE  11          1HG2      ILE  11   0.006  -9.326  -0.088
   85   2HG2  ILE  11          2HG2      ILE  11   0.568  -7.949   0.859
   86   3HG2  ILE  11          3HG2      ILE  11   1.034  -8.104  -0.834
   87   1HD1  ILE  11          1HD1      ILE  11  -1.639  -7.941   2.497
   88   2HD1  ILE  11          2HD1      ILE  11  -2.448  -8.726   1.141
   89   3HD1  ILE  11          3HD1      ILE  11  -3.227  -7.379   1.974
   90    HA   PRO  12           HA       PRO  12  -0.064  -7.206  -5.696
   91   1HB   PRO  12          2HB       PRO  12   2.518  -8.068  -5.972
   92   2HB   PRO  12          1HB       PRO  12   2.038  -6.369  -6.046
   93   1HG   PRO  12          2HG       PRO  12   3.197  -7.914  -3.760
   94   2HG   PRO  12          1HG       PRO  12   3.578  -6.271  -4.310
   95   1HD   PRO  12          2HD       PRO  12   1.987  -6.730  -2.187
   96   2HD   PRO  12          1HD       PRO  12   1.718  -5.359  -3.283
   97    H    TYR  13           H        TYR  13  -0.738  -9.037  -3.420
   98    HA   TYR  13           HA       TYR  13  -0.823 -11.459  -4.899
   99   1HB   TYR  13          2HB       TYR  13   1.125 -11.273  -2.601
  100   2HB   TYR  13          1HB       TYR  13   0.468 -12.806  -3.164
  101    HD1  TYR  13           HD1      TYR  13   3.149 -10.587  -3.459
  102    HD2  TYR  13           HD2      TYR  13   0.708 -13.176  -5.792
  103    HE1  TYR  13           HE1      TYR  13   4.918 -10.709  -5.163
  104    HE2  TYR  13           HE2      TYR  13   2.470 -13.305  -7.503
  105    HH   TYR  13           HH       TYR  13   4.794 -11.275  -7.909
  106    H    TYR  14           H        TYR  14  -2.441  -9.532  -3.284
  107    HA   TYR  14           HA       TYR  14  -3.979 -11.537  -1.846
  108   1HB   TYR  14          2HB       TYR  14  -2.326  -9.565  -0.515
  109   2HB   TYR  14          1HB       TYR  14  -4.024  -9.354  -0.096
  110    HD1  TYR  14           HD1      TYR  14  -1.064 -11.045   0.723
  111    HD2  TYR  14           HD2      TYR  14  -5.278 -11.593   0.542
  112    HE1  TYR  14           HE1      TYR  14  -0.885 -12.891   2.333
  113    HE2  TYR  14           HE2      TYR  14  -5.113 -13.442   2.153
  114    HH   TYR  14           HH       TYR  14  -3.733 -14.777   3.292
  115    H    LEU  15           H        LEU  15  -3.653  -8.321  -3.171
  116    HA   LEU  15           HA       LEU  15  -6.487  -8.287  -3.787
  117   1HB   LEU  15          2HB       LEU  15  -5.771  -5.712  -2.690
  118   2HB   LEU  15          1HB       LEU  15  -7.139  -6.743  -2.316
  119    HG   LEU  15           HG       LEU  15  -5.115  -8.031  -1.021
  120   1HD1  LEU  15          1HD1      LEU  15  -3.970  -5.623  -1.665
  121   2HD1  LEU  15          2HD1      LEU  15  -3.462  -6.693  -0.359
  122   3HD1  LEU  15          3HD1      LEU  15  -4.562  -5.355  -0.025
  123   1HD2  LEU  15          1HD2      LEU  15  -6.601  -5.831   0.345
  124   2HD2  LEU  15          2HD2      LEU  15  -6.235  -7.460   0.915
  125   3HD2  LEU  15          3HD2      LEU  15  -7.473  -7.213  -0.317
  126    H    ASP  16           H        ASP  16  -7.014  -6.158  -4.999
  127    HA   ASP  16           HA       ASP  16  -4.713  -5.271  -6.593
  128   1HB   ASP  16          2HB       ASP  16  -6.605  -5.326  -8.511
  129   2HB   ASP  16          1HB       ASP  16  -5.498  -6.663  -8.214
  130    H    CYS  17           H        CYS  17  -5.154  -3.270  -7.816
  131    HA   CYS  17           HA       CYS  17  -6.762  -1.469  -6.211
  132   1HB   CYS  17          2HB       CYS  17  -4.903  -0.887  -8.522
  133   2HB   CYS  17          1HB       CYS  17  -5.630   0.299  -7.454
  134    H    CYS  18           H        CYS  18  -8.114   0.172  -7.285
  135    HA   CYS  18           HA       CYS  18 -10.158  -0.934  -8.769
  136   1HB   CYS  18          2HB       CYS  18  -9.592   1.957  -9.169
  137   2HB   CYS  18          1HB       CYS  18 -11.107   1.146  -8.793
  138    H    GLU  19           H        GLU  19  -8.281   1.689 -10.201
  139    HA   GLU  19           HA       GLU  19  -6.977   0.543 -12.260
  140   1HB   GLU  19          2HB       GLU  19  -9.373  -0.448 -12.657
  141   2HB   GLU  19          1HB       GLU  19  -9.689   1.115 -13.397
  142   1HG   GLU  19          2HG       GLU  19  -8.868   0.285 -15.276
  143   2HG   GLU  19          1HG       GLU  19  -7.281   0.305 -14.507
  144    HA   PRO  20           HA       PRO  20  -6.253   0.877 -14.101
  145   1HB   PRO  20          2HB       PRO  20  -4.168   2.077 -15.266
  146   2HB   PRO  20          1HB       PRO  20  -5.796   2.212 -15.940
  147   1HG   PRO  20          2HG       PRO  20  -4.235   4.190 -14.344
  148   2HG   PRO  20          1HG       PRO  20  -5.335   4.464 -15.705
  149   1HD   PRO  20          2HD       PRO  20  -5.975   4.771 -13.006
  150   2HD   PRO  20          1HD       PRO  20  -7.141   4.619 -14.333
  151    H    LEU  21           H        LEU  21  -5.393   2.826 -11.554
  152    HA   LEU  21           HA       LEU  21  -2.805   2.568 -10.917
  153   1HB   LEU  21          2HB       LEU  21  -4.995   1.804  -8.990
  154   2HB   LEU  21          1HB       LEU  21  -3.410   2.434  -8.585
  155    HG   LEU  21           HG       LEU  21  -5.430   4.012 -10.169
  156   1HD1  LEU  21          1HD1      LEU  21  -4.920   4.497  -7.273
  157   2HD1  LEU  21          2HD1      LEU  21  -6.079   3.259  -7.756
  158   3HD1  LEU  21          3HD1      LEU  21  -6.314   4.933  -8.261
  159   1HD2  LEU  21          1HD2      LEU  21  -3.054   4.679 -10.332
  160   2HD2  LEU  21          2HD2      LEU  21  -3.019   4.878  -8.579
  161   3HD2  LEU  21          3HD2      LEU  21  -4.063   5.904  -9.563
  162    H    GLU  22           H        GLU  22  -1.768   0.984  -9.310
  163    HA   GLU  22           HA       GLU  22  -2.468  -1.785 -10.011
  164   1HB   GLU  22          2HB       GLU  22  -0.339  -0.539 -11.119
  165   2HB   GLU  22          1HB       GLU  22   0.406  -1.182  -9.661
  166   1HG   GLU  22          2HG       GLU  22   0.059  -3.373 -10.287
  167   2HG   GLU  22          1HG       GLU  22  -1.251  -2.959 -11.393
  168    H    CYS  23           H        CYS  23  -2.763  -3.012  -8.281
  169    HA   CYS  23           HA       CYS  23  -2.121  -2.053  -5.654
  170   1HB   CYS  23          2HB       CYS  23  -4.139  -3.245  -5.757
  171   2HB   CYS  23          1HB       CYS  23  -3.441  -4.526  -6.742
  172    H    LYS  24           H        LYS  24   0.241  -1.933  -6.172
  173    HA   LYS  24           HA       LYS  24   1.538  -4.334  -5.178
  174   1HB   LYS  24          2HB       LYS  24   2.838  -4.811  -6.991
  175   2HB   LYS  24          1HB       LYS  24   1.437  -4.164  -7.834
  176   1HG   LYS  24          2HG       LYS  24   3.669  -2.346  -7.045
  177   2HG   LYS  24          1HG       LYS  24   3.813  -3.364  -8.478
  178   1HD   LYS  24          2HD       LYS  24   1.315  -2.287  -8.779
  179   2HD   LYS  24          1HD       LYS  24   2.208  -0.960  -8.031
  180   1HE   LYS  24          2HE       LYS  24   3.960  -1.233  -9.769
  181   2HE   LYS  24          1HE       LYS  24   2.947  -2.449 -10.546
  182   1HZ   LYS  24          1HZ       LYS  24   1.580  -0.897 -11.381
  183   2HZ   LYS  24          2HZ       LYS  24   2.889   0.149 -11.148
  184   3HZ   LYS  24          3HZ       LYS  24   1.646   0.082 -10.003
  185    H    LYS  25           H        LYS  25   4.169  -3.553  -5.698
  186    HA   LYS  25           HA       LYS  25   4.690  -1.812  -3.575
  187   1HB   LYS  25          2HB       LYS  25   6.314  -3.445  -4.473
  188   2HB   LYS  25          1HB       LYS  25   6.480  -2.466  -5.923
  189   1HG   LYS  25          2HG       LYS  25   7.667  -0.820  -4.842
  190   2HG   LYS  25          1HG       LYS  25   7.009  -1.237  -3.259
  191   1HD   LYS  25          2HD       LYS  25   8.858  -3.045  -4.801
  192   2HD   LYS  25          1HD       LYS  25   9.430  -1.847  -3.638
  193   1HE   LYS  25          2HE       LYS  25   7.962  -2.926  -1.929
  194   2HE   LYS  25          1HE       LYS  25   7.616  -4.193  -3.104
  195   1HZ   LYS  25          1HZ       LYS  25  10.301  -4.129  -3.124
  196   2HZ   LYS  25          2HZ       LYS  25   9.378  -5.188  -2.183
  197   3HZ   LYS  25          3HZ       LYS  25   9.980  -3.761  -1.504
  198    H    VAL  26           H        VAL  26   4.508   0.311  -3.404
  199    HA   VAL  26           HA       VAL  26   4.072   1.927  -5.780
  200    HB   VAL  26           HB       VAL  26   4.162   3.106  -3.042
  201   1HG1  VAL  26          1HG1      VAL  26   2.411   4.504  -3.893
  202   2HG1  VAL  26          2HG1      VAL  26   2.242   3.495  -5.329
  203   3HG1  VAL  26          3HG1      VAL  26   3.710   4.444  -5.085
  204   1HG2  VAL  26          1HG2      VAL  26   2.897   1.300  -2.387
  205   2HG2  VAL  26          2HG2      VAL  26   2.194   1.072  -3.988
  206   3HG2  VAL  26          3HG2      VAL  26   1.644   2.399  -2.962
  207    H    ASN  27           H        ASN  27   6.534   1.199  -3.504
  208    HA   ASN  27           HA       ASN  27   8.320   3.122  -4.799
  209   1HB   ASN  27          2HB       ASN  27   8.790   2.725  -1.935
  210   2HB   ASN  27          1HB       ASN  27   8.943   4.179  -2.904
  211   1HD2  ASN  27          1HD2      ASN  27   7.862   4.254  -0.386
  212   2HD2  ASN  27          2HD2      ASN  27   6.175   4.613  -0.492
  213    H    TRP  28           H        TRP  28   9.308   1.459  -1.963
  214    HA   TRP  28           HA       TRP  28  10.488  -0.731  -3.486
  215   1HB   TRP  28          2HB       TRP  28  12.676  -0.239  -3.027
  216   2HB   TRP  28          1HB       TRP  28  12.038   1.401  -3.089
  217    HD1  TRP  28           HD1      TRP  28  10.714   1.487  -0.186
  218    HE1  TRP  28           HE1      TRP  28  12.238   1.602   1.885
  219    HE3  TRP  28           HE3      TRP  28  15.020  -0.345  -2.244
  220    HZ2  TRP  28           HZ2      TRP  28  14.910   0.992   2.558
  221    HZ3  TRP  28           HZ3      TRP  28  17.015  -0.549  -0.818
  222    HH2  TRP  28           HH2      TRP  28  16.960   0.107   1.533
  223    H    TRP  29           H        TRP  29   9.240   0.595  -0.586
  224    HA   TRP  29           HA       TRP  29   9.461  -2.038   0.705
  225   1HB   TRP  29          2HB       TRP  29  10.215  -1.180   2.685
  226   2HB   TRP  29          1HB       TRP  29  10.910   0.021   1.602
  227    HD1  TRP  29           HD1      TRP  29   7.737  -0.431   3.786
  228    HE1  TRP  29           HE1      TRP  29   7.022   1.892   4.633
  229    HE3  TRP  29           HE3      TRP  29  11.193   2.429   1.334
  230    HZ2  TRP  29           HZ2      TRP  29   7.818   4.581   4.306
  231    HZ3  TRP  29           HZ3      TRP  29  11.148   4.868   1.654
  232    HH2  TRP  29           HH2      TRP  29   9.493   5.920   3.109
  233    H    ASP  30           H        ASP  30   7.641   0.911   0.212
  234    HA   ASP  30           HA       ASP  30   5.385  -0.078   1.760
  235   1HB   ASP  30          2HB       ASP  30   6.333   2.458   1.230
  236   2HB   ASP  30          1HB       ASP  30   4.934   2.333   0.166
  237    H    HIS  31           H        HIS  31   3.819  -1.265   0.908
  238    HA   HIS  31           HA       HIS  31   3.561  -1.378  -2.009
  239   1HB   HIS  31          2HB       HIS  31   3.048  -3.299   0.209
  240   2HB   HIS  31          1HB       HIS  31   2.055  -3.427  -1.233
  241    HD1  HIS  31           HD1      HIS  31   5.654  -3.645  -0.128
  242    HD2  HIS  31           HD2      HIS  31   3.272  -4.613  -3.388
  243    HE1  HIS  31           HE1      HIS  31   7.115  -5.028  -1.639
  244    HE2  HIS  31           HE2      HIS  31   5.683  -5.513  -3.655
  245    H    LYS  32           H        LYS  32   2.009  -0.142  -2.838
  246    HA   LYS  32           HA       LYS  32  -0.629  -0.141  -1.596
  247   1HB   LYS  32          2HB       LYS  32   0.549   2.468  -2.511
  248   2HB   LYS  32          1HB       LYS  32  -0.854   2.192  -1.489
  249   1HG   LYS  32          2HG       LYS  32   0.652   1.370   0.291
  250   2HG   LYS  32          1HG       LYS  32   2.030   1.781  -0.733
  251   1HD   LYS  32          2HD       LYS  32   0.691   4.115  -0.792
  252   2HD   LYS  32          1HD       LYS  32   0.213   3.530   0.803
  253   1HE   LYS  32          2HE       LYS  32   2.129   4.542   1.436
  254   2HE   LYS  32          1HE       LYS  32   2.849   3.025   0.901
  255   1HZ   LYS  32          1HZ       LYS  32   2.483   5.167  -1.065
  256   2HZ   LYS  32          2HZ       LYS  32   3.681   3.977  -0.980
  257   3HZ   LYS  32          3HZ       LYS  32   3.744   5.314   0.053
  258    H    CYS  33           H        CYS  33  -1.340   2.122  -3.386
  259    HA   CYS  33           HA       CYS  33  -1.598   0.572  -5.861
  260   1HB   CYS  33          2HB       CYS  33  -3.313   2.603  -4.483
  261   2HB   CYS  33          1HB       CYS  33  -3.494   2.322  -6.206
  262    H    ILE  34           H        ILE  34  -0.604   1.280  -7.645
  263    HA   ILE  34           HA       ILE  34   0.259   4.097  -7.732
  264    HB   ILE  34           HB       ILE  34   1.997   2.841  -9.423
  265   1HG1  ILE  34          2HG1      ILE  34   1.204   0.624  -8.693
  266   2HG1  ILE  34          1HG1      ILE  34   2.887   0.888  -8.248
  267   1HG2  ILE  34          1HG2      ILE  34   3.274   4.132  -8.146
  268   2HG2  ILE  34          2HG2      ILE  34   3.260   2.867  -6.917
  269   3HG2  ILE  34          3HG2      ILE  34   2.052   4.151  -6.874
  270   1HD1  ILE  34          1HD1      ILE  34   0.583   0.362  -6.578
  271   2HD1  ILE  34          2HD1      ILE  34   1.498   1.772  -6.042
  272   3HD1  ILE  34          3HD1      ILE  34   2.302   0.211  -6.219
  273    H    GLY  35           HN       GLY  35   1.365   3.658 -10.426
  274   1HA   GLY  35          2HA       GLY  35  -1.191   3.737 -11.888
  275   2HA   GLY  35          1HA       GLY  35   0.269   4.587 -12.368
  Start of MODEL    3
    1    HN   PCA   1           HN       PCA   1 -15.009  -8.593  -5.217
    2    HA   PCA   1           HA       PCA   1 -14.354  -7.935  -2.924
    3   1HB   PCA   1          1HB       PCA   1 -11.579  -7.526  -3.093
    4   2HB   PCA   1          2HB       PCA   1 -12.346  -9.039  -2.529
    5   1HG   PCA   1          1HG       PCA   1 -11.005  -8.473  -5.130
    6   2HG   PCA   1          2HG       PCA   1 -11.426 -10.052  -4.399
    7    H    GLN   2           H        GLN   2 -13.148  -5.855  -2.155
    8    HA   GLN   2           HA       GLN   2 -14.075  -3.723  -3.832
    9   1HB   GLN   2          2HB       GLN   2 -12.744  -2.451  -1.846
   10   2HB   GLN   2          1HB       GLN   2 -14.403  -3.019  -1.709
   11   1HG   GLN   2          2HG       GLN   2 -13.807  -4.851  -0.427
   12   2HG   GLN   2          1HG       GLN   2 -12.128  -4.806  -0.963
   13   1HE2  GLN   2          1HE2      GLN   2 -13.119  -1.714  -0.364
   14   2HE2  GLN   2          2HE2      GLN   2 -12.542  -1.541   1.257
   15    H    CYS   3           H        CYS   3 -12.879  -2.118  -4.832
   16    HA   CYS   3           HA       CYS   3 -10.381  -2.897  -5.917
   17   1HB   CYS   3          2HB       CYS   3 -10.533  -1.013  -7.241
   18   2HB   CYS   3          1HB       CYS   3 -12.225  -1.235  -6.824
   19    H    VAL   4           H        VAL   4  -9.115  -0.317  -5.904
   20    HA   VAL   4           HA       VAL   4  -8.435   0.300  -3.168
   21    HB   VAL   4           HB       VAL   4  -6.196  -0.613  -4.959
   22   1HG1  VAL   4          1HG1      VAL   4  -5.878   0.979  -2.967
   23   2HG1  VAL   4          2HG1      VAL   4  -4.828  -0.434  -3.080
   24   3HG1  VAL   4          3HG1      VAL   4  -6.197  -0.440  -1.967
   25   1HG2  VAL   4          1HG2      VAL   4  -6.176  -2.730  -3.918
   26   2HG2  VAL   4          2HG2      VAL   4  -7.848  -2.450  -4.408
   27   3HG2  VAL   4          3HG2      VAL   4  -7.375  -2.236  -2.723
   28    H    LYS   5           H        LYS   5  -8.089   2.394  -3.039
   29    HA   LYS   5           HA       LYS   5  -7.951   3.987  -5.416
   30   1HB   LYS   5          2HB       LYS   5  -8.870   4.372  -2.811
   31   2HB   LYS   5          1HB       LYS   5  -7.503   5.462  -2.980
   32   1HG   LYS   5          2HG       LYS   5  -8.517   6.712  -4.617
   33   2HG   LYS   5          1HG       LYS   5  -9.573   5.389  -5.118
   34   1HD   LYS   5          2HD       LYS   5 -10.169   5.979  -2.414
   35   2HD   LYS   5          1HD       LYS   5 -10.105   7.511  -3.289
   36   1HE   LYS   5          2HE       LYS   5 -12.204   5.648  -3.235
   37   2HE   LYS   5          1HE       LYS   5 -12.077   7.103  -4.222
   38   1HZ   LYS   5          1HZ       LYS   5 -12.481   5.123  -5.561
   39   2HZ   LYS   5          2HZ       LYS   5 -11.054   4.420  -4.985
   40   3HZ   LYS   5          3HZ       LYS   5 -10.984   5.816  -5.938
   41    H    LYS   6           H        LYS   6  -6.368   5.700  -5.743
   42    HA   LYS   6           HA       LYS   6  -3.722   4.733  -5.677
   43   1HB   LYS   6          2HB       LYS   6  -4.516   6.314  -7.376
   44   2HB   LYS   6          1HB       LYS   6  -4.731   7.547  -6.141
   45   1HG   LYS   6          2HG       LYS   6  -2.634   8.198  -6.392
   46   2HG   LYS   6          1HG       LYS   6  -2.057   6.577  -6.001
   47   1HD   LYS   6          2HD       LYS   6  -1.377   6.350  -8.104
   48   2HD   LYS   6          1HD       LYS   6  -3.057   6.466  -8.633
   49   1HE   LYS   6          2HE       LYS   6  -1.424   8.103  -9.673
   50   2HE   LYS   6          1HE       LYS   6  -2.895   8.787  -8.983
   51   1HZ   LYS   6          1HZ       LYS   6  -0.156   9.193  -8.220
   52   2HZ   LYS   6          2HZ       LYS   6  -1.157   8.829  -6.905
   53   3HZ   LYS   6          3HZ       LYS   6  -1.518  10.146  -7.904
   54    H    ASP   7           H        ASP   7  -2.044   5.094  -4.307
   55    HA   ASP   7           HA       ASP   7  -0.846   6.003  -2.553
   56   1HB   ASP   7          2HB       ASP   7  -3.291   7.570  -1.737
   57   2HB   ASP   7          1HB       ASP   7  -1.607   7.897  -1.340
   58    H    GLU   8           H        GLU   8  -3.542   4.160  -2.581
   59    HA   GLU   8           HA       GLU   8  -3.728   3.734   0.293
   60   1HB   GLU   8          2HB       GLU   8  -5.233   2.677  -2.089
   61   2HB   GLU   8          1HB       GLU   8  -5.392   1.919  -0.511
   62   1HG   GLU   8          2HG       GLU   8  -5.740   4.843  -0.581
   63   2HG   GLU   8          1HG       GLU   8  -6.982   3.889  -1.391
   64    H    LEU   9           H        LEU   9  -3.343   1.667   1.261
   65    HA   LEU   9           HA       LEU   9  -1.005   0.393   0.232
   66   1HB   LEU   9          2HB       LEU   9  -2.756  -0.180   2.615
   67   2HB   LEU   9          1HB       LEU   9  -1.266  -1.033   2.267
   68    HG   LEU   9           HG       LEU   9  -1.665   1.511   3.578
   69   1HD1  LEU   9          1HD1      LEU   9   1.045   0.452   3.329
   70   2HD1  LEU   9          2HD1      LEU   9  -0.136  -0.723   3.908
   71   3HD1  LEU   9          3HD1      LEU   9   0.086   0.801   4.768
   72   1HD2  LEU   9          1HD2      LEU   9   0.382   2.563   2.498
   73   2HD2  LEU   9          2HD2      LEU   9  -1.126   2.637   1.585
   74   3HD2  LEU   9          3HD2      LEU   9   0.109   1.453   1.154
   75    H    CYS  10           H        CYS  10  -0.792  -1.918  -0.097
   76    HA   CYS  10           HA       CYS  10  -3.018  -3.628  -0.441
   77   1HB   CYS  10          2HB       CYS  10  -3.101  -1.919  -2.431
   78   2HB   CYS  10          1HB       CYS  10  -1.791  -2.904  -3.074
   79    H    ILE  11           H        ILE  11  -2.215  -5.507  -2.095
   80    HA   ILE  11           HA       ILE  11   0.633  -5.963  -1.712
   81    HB   ILE  11           HB       ILE  11  -1.147  -8.234  -1.030
   82   1HG1  ILE  11          2HG1      ILE  11  -0.482  -6.014   0.915
   83   2HG1  ILE  11          1HG1      ILE  11  -2.085  -6.370   0.279
   84   1HG2  ILE  11          1HG2      ILE  11   0.914  -9.052  -0.740
   85   2HG2  ILE  11          2HG2      ILE  11   0.950  -8.110   0.751
   86   3HG2  ILE  11          3HG2      ILE  11   1.637  -7.444  -0.730
   87   1HD1  ILE  11          1HD1      ILE  11  -0.538  -7.716   2.386
   88   2HD1  ILE  11          2HD1      ILE  11  -1.457  -8.766   1.307
   89   3HD1  ILE  11          3HD1      ILE  11  -2.280  -7.495   2.212
   90    HA   PRO  12           HA       PRO  12  -0.119  -7.279  -5.940
   91   1HB   PRO  12          2HB       PRO  12   2.731  -8.048  -5.746
   92   2HB   PRO  12          1HB       PRO  12   1.933  -6.978  -6.902
   93   1HG   PRO  12          2HG       PRO  12   3.523  -6.014  -4.976
   94   2HG   PRO  12          1HG       PRO  12   2.071  -5.146  -5.502
   95   1HD   PRO  12          2HD       PRO  12   2.506  -6.804  -3.051
   96   2HD   PRO  12          1HD       PRO  12   1.597  -5.290  -3.242
   97    H    TYR  13           H        TYR  13  -0.259  -9.016  -3.394
   98    HA   TYR  13           HA       TYR  13  -0.361 -11.538  -4.800
   99   1HB   TYR  13          2HB       TYR  13   1.655 -10.975  -2.651
  100   2HB   TYR  13          1HB       TYR  13   0.982 -12.593  -2.817
  101    HD1  TYR  13           HD1      TYR  13   0.761 -12.782  -5.776
  102    HD2  TYR  13           HD2      TYR  13   3.877 -11.240  -3.323
  103    HE1  TYR  13           HE1      TYR  13   2.393 -13.281  -7.545
  104    HE2  TYR  13           HE2      TYR  13   5.518 -11.735  -5.086
  105    HH   TYR  13           HH       TYR  13   4.567 -12.679  -8.270
  106    H    TYR  14           H        TYR  14  -2.128  -9.628  -3.350
  107    HA   TYR  14           HA       TYR  14  -3.556 -11.615  -1.805
  108   1HB   TYR  14          2HB       TYR  14  -1.955  -9.583  -0.529
  109   2HB   TYR  14          1HB       TYR  14  -3.655  -9.359  -0.132
  110    HD1  TYR  14           HD1      TYR  14  -0.913 -10.555   1.286
  111    HD2  TYR  14           HD2      TYR  14  -4.706 -12.036   0.061
  112    HE1  TYR  14           HE1      TYR  14  -0.747 -12.345   2.962
  113    HE2  TYR  14           HE2      TYR  14  -4.554 -13.830   1.734
  114    HH   TYR  14           HH       TYR  14  -3.432 -14.527   3.593
  115    H    LEU  15           H        LEU  15  -3.360  -8.393  -3.178
  116    HA   LEU  15           HA       LEU  15  -6.187  -8.512  -3.822
  117   1HB   LEU  15          2HB       LEU  15  -5.629  -5.885  -2.772
  118   2HB   LEU  15          1HB       LEU  15  -6.932  -6.990  -2.376
  119    HG   LEU  15           HG       LEU  15  -5.074  -8.178  -0.947
  120   1HD1  LEU  15          1HD1      LEU  15  -3.766  -5.776  -1.826
  121   2HD1  LEU  15          2HD1      LEU  15  -3.119  -7.134  -0.907
  122   3HD1  LEU  15          3HD1      LEU  15  -3.909  -5.799  -0.069
  123   1HD2  LEU  15          1HD2      LEU  15  -6.136  -7.329   0.854
  124   2HD2  LEU  15          2HD2      LEU  15  -7.215  -6.668  -0.372
  125   3HD2  LEU  15          3HD2      LEU  15  -5.943  -5.661   0.317
  126    H    ASP  16           H        ASP  16  -6.766  -6.262  -4.928
  127    HA   ASP  16           HA       ASP  16  -4.530  -5.374  -6.603
  128   1HB   ASP  16          2HB       ASP  16  -7.169  -5.862  -7.918
  129   2HB   ASP  16          1HB       ASP  16  -5.552  -5.867  -8.617
  130    H    CYS  17           H        CYS  17  -5.022  -3.353  -7.782
  131    HA   CYS  17           HA       CYS  17  -6.601  -1.597  -6.095
  132   1HB   CYS  17          2HB       CYS  17  -4.665  -1.076  -8.353
  133   2HB   CYS  17          1HB       CYS  17  -5.567   0.192  -7.542
  134    H    CYS  18           H        CYS  18  -7.907   0.138  -7.210
  135    HA   CYS  18           HA       CYS  18 -10.013  -1.009  -8.622
  136   1HB   CYS  18          2HB       CYS  18  -9.501   1.894  -9.001
  137   2HB   CYS  18          1HB       CYS  18 -10.993   1.053  -8.589
  138    H    GLU  19           H        GLU  19  -8.829   1.797 -10.224
  139    HA   GLU  19           HA       GLU  19  -7.346   0.679 -12.306
  140   1HB   GLU  19          2HB       GLU  19  -9.054  -0.540 -13.231
  141   2HB   GLU  19          1HB       GLU  19 -10.300   0.542 -12.625
  142   1HG   GLU  19          2HG       GLU  19  -8.593   1.819 -14.592
  143   2HG   GLU  19          1HG       GLU  19  -9.388   0.375 -15.220
  144    HA   PRO  20           HA       PRO  20  -6.823   1.081 -14.277
  145   1HB   PRO  20          2HB       PRO  20  -4.816   2.350 -15.505
  146   2HB   PRO  20          1HB       PRO  20  -6.483   2.508 -16.069
  147   1HG   PRO  20          2HG       PRO  20  -4.847   4.402 -14.437
  148   2HG   PRO  20          1HG       PRO  20  -5.982   4.749 -15.752
  149   1HD   PRO  20          2HD       PRO  20  -6.569   4.956 -13.053
  150   2HD   PRO  20          1HD       PRO  20  -7.774   4.770 -14.343
  151    H    LEU  21           H        LEU  21  -5.817   2.866 -11.672
  152    HA   LEU  21           HA       LEU  21  -3.154   2.523 -11.276
  153   1HB   LEU  21          2HB       LEU  21  -5.132   1.818  -9.123
  154   2HB   LEU  21          1HB       LEU  21  -3.546   2.546  -8.941
  155    HG   LEU  21           HG       LEU  21  -5.709   4.005 -10.416
  156   1HD1  LEU  21          1HD1      LEU  21  -6.097   5.146  -8.147
  157   2HD1  LEU  21          2HD1      LEU  21  -5.410   3.677  -7.454
  158   3HD1  LEU  21          3HD1      LEU  21  -6.867   3.586  -8.442
  159   1HD2  LEU  21          1HD2      LEU  21  -4.457   5.934  -9.854
  160   2HD2  LEU  21          2HD2      LEU  21  -3.291   4.733 -10.409
  161   3HD2  LEU  21          3HD2      LEU  21  -3.480   5.046  -8.684
  162    H    GLU  22           H        GLU  22  -2.139   0.895  -9.671
  163    HA   GLU  22           HA       GLU  22  -3.045  -1.837 -10.243
  164   1HB   GLU  22          2HB       GLU  22  -0.767  -0.608 -11.399
  165   2HB   GLU  22          1HB       GLU  22  -0.182  -1.782 -10.228
  166   1HG   GLU  22          2HG       GLU  22  -1.122  -3.568 -11.351
  167   2HG   GLU  22          1HG       GLU  22  -2.292  -2.555 -12.194
  168    H    CYS  23           H        CYS  23  -3.181  -3.002  -8.454
  169    HA   CYS  23           HA       CYS  23  -2.312  -2.001  -5.936
  170   1HB   CYS  23          2HB       CYS  23  -4.242  -3.280  -5.779
  171   2HB   CYS  23          1HB       CYS  23  -3.649  -4.502  -6.896
  172    H    LYS  24           H        LYS  24  -0.030  -1.763  -6.215
  173    HA   LYS  24           HA       LYS  24   1.410  -4.199  -5.572
  174   1HB   LYS  24          2HB       LYS  24   3.193  -3.324  -7.349
  175   2HB   LYS  24          1HB       LYS  24   1.926  -4.467  -7.774
  176   1HG   LYS  24          2HG       LYS  24   1.268  -3.074  -9.357
  177   2HG   LYS  24          1HG       LYS  24   0.807  -1.919  -8.104
  178   1HD   LYS  24          2HD       LYS  24   2.465  -1.185  -9.959
  179   2HD   LYS  24          1HD       LYS  24   2.792  -0.736  -8.284
  180   1HE   LYS  24          2HE       LYS  24   3.894  -3.331  -9.079
  181   2HE   LYS  24          1HE       LYS  24   4.565  -1.959  -9.960
  182   1HZ   LYS  24          1HZ       LYS  24   5.652  -2.675  -7.761
  183   2HZ   LYS  24          2HZ       LYS  24   4.354  -1.882  -7.021
  184   3HZ   LYS  24          3HZ       LYS  24   5.400  -1.024  -8.037
  185    H    LYS  25           H        LYS  25   3.974  -3.345  -5.718
  186    HA   LYS  25           HA       LYS  25   4.189  -1.646  -3.448
  187   1HB   LYS  25          2HB       LYS  25   5.821  -3.393  -3.823
  188   2HB   LYS  25          1HB       LYS  25   6.274  -2.689  -5.370
  189   1HG   LYS  25          2HG       LYS  25   7.700  -1.268  -4.420
  190   2HG   LYS  25          1HG       LYS  25   6.541  -0.809  -3.169
  191   1HD   LYS  25          2HD       LYS  25   8.700  -1.954  -2.414
  192   2HD   LYS  25          1HD       LYS  25   7.181  -2.581  -1.770
  193   1HE   LYS  25          2HE       LYS  25   8.383  -4.492  -2.382
  194   2HE   LYS  25          1HE       LYS  25   7.253  -4.242  -3.711
  195   1HZ   LYS  25          1HZ       LYS  25   9.324  -4.693  -4.690
  196   2HZ   LYS  25          2HZ       LYS  25  10.152  -3.644  -3.653
  197   3HZ   LYS  25          3HZ       LYS  25   9.124  -3.020  -4.842
  198    H    VAL  26           H        VAL  26   4.457   0.470  -3.291
  199    HA   VAL  26           HA       VAL  26   4.454   2.074  -5.716
  200    HB   VAL  26           HB       VAL  26   4.539   3.329  -3.021
  201   1HG1  VAL  26          1HG1      VAL  26   2.410   4.210  -4.678
  202   2HG1  VAL  26          2HG1      VAL  26   3.862   4.068  -5.670
  203   3HG1  VAL  26          3HG1      VAL  26   3.879   5.071  -4.219
  204   1HG2  VAL  26          1HG2      VAL  26   2.912   2.027  -2.213
  205   2HG2  VAL  26          2HG2      VAL  26   2.578   1.316  -3.791
  206   3HG2  VAL  26          3HG2      VAL  26   1.854   2.862  -3.351
  207    H    ASN  27           H        ASN  27   6.591   0.991  -3.276
  208    HA   ASN  27           HA       ASN  27   8.764   2.557  -4.444
  209   1HB   ASN  27          2HB       ASN  27   9.146   2.305  -1.609
  210   2HB   ASN  27          1HB       ASN  27   9.180   3.750  -2.608
  211   1HD2  ASN  27          1HD2      ASN  27   6.631   1.451  -1.719
  212   2HD2  ASN  27          2HD2      ASN  27   5.540   2.638  -1.100
  213    H    TRP  28           H        TRP  28   9.529   1.098  -1.514
  214    HA   TRP  28           HA       TRP  28  10.364  -1.393  -2.815
  215   1HB   TRP  28          2HB       TRP  28  12.555  -1.187  -2.202
  216   2HB   TRP  28          1HB       TRP  28  12.167   0.524  -2.342
  217    HD1  TRP  28           HD1      TRP  28  10.692   0.965   0.418
  218    HE1  TRP  28           HE1      TRP  28  12.035   0.882   2.613
  219    HE3  TRP  28           HE3      TRP  28  14.728  -1.725  -1.200
  220    HZ2  TRP  28           HZ2      TRP  28  14.481  -0.182   3.536
  221    HZ3  TRP  28           HZ3      TRP  28  16.526  -2.232   0.402
  222    HH2  TRP  28           HH2      TRP  28  16.403  -1.475   2.719
  223    H    TRP  29           H        TRP  29   9.081   0.251  -0.107
  224    HA   TRP  29           HA       TRP  29   8.760  -2.316   1.290
  225   1HB   TRP  29          2HB       TRP  29   9.538  -1.535   3.282
  226   2HB   TRP  29          1HB       TRP  29  10.468  -0.468   2.235
  227    HD1  TRP  29           HD1      TRP  29   7.139  -0.413   4.223
  228    HE1  TRP  29           HE1      TRP  29   6.722   2.005   5.001
  229    HE3  TRP  29           HE3      TRP  29  11.111   1.867   1.950
  230    HZ2  TRP  29           HZ2      TRP  29   7.920   4.543   4.692
  231    HZ3  TRP  29           HZ3      TRP  29  11.403   4.293   2.241
  232    HH2  TRP  29           HH2      TRP  29   9.839   5.602   3.584
  233    H    ASP  30           H        ASP  30   7.514   0.827   0.459
  234    HA   ASP  30           HA       ASP  30   5.019   0.360   1.891
  235   1HB   ASP  30          2HB       ASP  30   6.373   2.646   1.466
  236   2HB   ASP  30          1HB       ASP  30   5.300   2.689   0.070
  237    H    HIS  31           H        HIS  31   3.678  -1.032   0.921
  238    HA   HIS  31           HA       HIS  31   3.466  -1.058  -1.990
  239   1HB   HIS  31          2HB       HIS  31   2.763  -2.941   0.207
  240   2HB   HIS  31          1HB       HIS  31   1.807  -3.014  -1.266
  241    HD1  HIS  31           HD1      HIS  31   5.409  -3.299  -0.135
  242    HD2  HIS  31           HD2      HIS  31   2.963  -4.411  -3.303
  243    HE1  HIS  31           HE1      HIS  31   6.820  -4.801  -1.576
  244    HE2  HIS  31           HE2      HIS  31   5.348  -5.382  -3.538
  245    H    LYS  32           H        LYS  32   1.947   0.111  -2.967
  246    HA   LYS  32           HA       LYS  32  -0.684   0.365  -1.748
  247   1HB   LYS  32          2HB       LYS  32   0.881   2.757  -2.729
  248   2HB   LYS  32          1HB       LYS  32  -0.761   2.773  -2.103
  249   1HG   LYS  32          2HG       LYS  32   0.174   1.905   0.064
  250   2HG   LYS  32          1HG       LYS  32   1.779   2.218  -0.598
  251   1HD   LYS  32          2HD       LYS  32  -0.414   4.260  -0.228
  252   2HD   LYS  32          1HD       LYS  32   1.013   4.078   0.795
  253   1HE   LYS  32          2HE       LYS  32   1.483   5.858  -0.691
  254   2HE   LYS  32          1HE       LYS  32   2.399   4.469  -1.277
  255   1HZ   LYS  32          1HZ       LYS  32   0.921   5.957  -2.864
  256   2HZ   LYS  32          2HZ       LYS  32  -0.274   4.863  -2.380
  257   3HZ   LYS  32          3HZ       LYS  32   1.135   4.300  -3.129
  258    H    CYS  33           H        CYS  33  -1.406   2.423  -3.654
  259    HA   CYS  33           HA       CYS  33  -1.731   0.721  -6.011
  260   1HB   CYS  33          2HB       CYS  33  -3.270   3.007  -4.834
  261   2HB   CYS  33          1HB       CYS  33  -3.490   2.566  -6.520
  262    H    ILE  34           H        ILE  34  -1.057   1.332  -8.017
  263    HA   ILE  34           HA       ILE  34   0.246   3.962  -8.265
  264    HB   ILE  34           HB       ILE  34   1.584   2.389 -10.078
  265   1HG1  ILE  34          2HG1      ILE  34   0.591   0.360  -9.066
  266   2HG1  ILE  34          1HG1      ILE  34   2.342   0.406  -8.884
  267   1HG2  ILE  34          1HG2      ILE  34   2.134   3.924  -7.772
  268   2HG2  ILE  34          2HG2      ILE  34   3.241   3.454  -9.063
  269   3HG2  ILE  34          3HG2      ILE  34   3.057   2.427  -7.640
  270   1HD1  ILE  34          1HD1      ILE  34   1.879  -0.147  -6.767
  271   2HD1  ILE  34          2HD1      ILE  34   0.227   0.462  -6.858
  272   3HD1  ILE  34          3HD1      ILE  34   1.563   1.577  -6.577
  273    H    GLY  35           HN       GLY  35   0.977   3.624 -10.981
  274   1HA   GLY  35          2HA       GLY  35  -1.303   2.888 -12.546
  275   2HA   GLY  35          1HA       GLY  35  -1.193   4.629 -12.332
  Start of MODEL    4
    1    HN   PCA   1           HN       PCA   1 -14.061  -8.403  -5.980
    2    HA   PCA   1           HA       PCA   1 -13.548  -8.105  -3.561
    3   1HB   PCA   1          1HB       PCA   1 -10.714  -7.836  -3.597
    4   2HB   PCA   1          2HB       PCA   1 -11.619  -9.292  -3.089
    5   1HG   PCA   1          1HG       PCA   1 -10.064  -8.881  -5.550
    6   2HG   PCA   1          2HG       PCA   1 -10.865 -10.377  -4.980
    7    H    GLN   2           H        GLN   2 -13.927  -6.080  -2.955
    8    HA   GLN   2           HA       GLN   2 -14.109  -3.848  -4.306
    9   1HB   GLN   2          2HB       GLN   2 -12.800  -2.847  -2.065
   10   2HB   GLN   2          1HB       GLN   2 -14.524  -3.152  -2.223
   11   1HG   GLN   2          2HG       GLN   2 -12.550  -5.209  -1.272
   12   2HG   GLN   2          1HG       GLN   2 -13.444  -4.135  -0.197
   13   1HE2  GLN   2          1HE2      GLN   2 -15.914  -4.087  -1.234
   14   2HE2  GLN   2          2HE2      GLN   2 -16.620  -5.663  -1.222
   15    H    CYS   3           H        CYS   3 -12.926  -2.293  -5.294
   16    HA   CYS   3           HA       CYS   3 -10.326  -2.885  -6.185
   17   1HB   CYS   3          2HB       CYS   3 -10.461  -0.944  -7.430
   18   2HB   CYS   3          1HB       CYS   3 -12.168  -1.255  -7.147
   19    H    VAL   4           H        VAL   4  -9.141  -0.302  -6.001
   20    HA   VAL   4           HA       VAL   4  -8.679   0.297  -3.220
   21    HB   VAL   4           HB       VAL   4  -6.307  -0.606  -4.840
   22   1HG1  VAL   4          1HG1      VAL   4  -6.689   0.001  -1.913
   23   2HG1  VAL   4          2HG1      VAL   4  -5.794   0.971  -3.082
   24   3HG1  VAL   4          3HG1      VAL   4  -5.207  -0.629  -2.631
   25   1HG2  VAL   4          1HG2      VAL   4  -8.233  -2.315  -3.954
   26   2HG2  VAL   4          2HG2      VAL   4  -7.125  -2.279  -2.582
   27   3HG2  VAL   4          3HG2      VAL   4  -6.536  -2.738  -4.180
   28    H    LYS   5           H        LYS   5  -8.370   2.404  -3.071
   29    HA   LYS   5           HA       LYS   5  -8.081   3.990  -5.436
   30   1HB   LYS   5          2HB       LYS   5  -9.159   4.372  -2.884
   31   2HB   LYS   5          1HB       LYS   5  -7.807   5.486  -2.992
   32   1HG   LYS   5          2HG       LYS   5  -9.249   5.650  -5.421
   33   2HG   LYS   5          1HG       LYS   5 -10.404   5.744  -4.089
   34   1HD   LYS   5          2HD       LYS   5  -7.891   7.399  -4.213
   35   2HD   LYS   5          1HD       LYS   5  -9.438   7.945  -4.864
   36   1HE   LYS   5          2HE       LYS   5  -8.683   8.533  -2.400
   37   2HE   LYS   5          1HE       LYS   5 -10.370   8.214  -2.802
   38   1HZ   LYS   5          1HZ       LYS   5  -9.933   5.856  -2.146
   39   2HZ   LYS   5          2HZ       LYS   5  -9.859   6.969  -0.875
   40   3HZ   LYS   5          3HZ       LYS   5  -8.432   6.356  -1.545
   41    H    LYS   6           H        LYS   6  -6.435   5.508  -5.872
   42    HA   LYS   6           HA       LYS   6  -3.812   4.606  -5.443
   43   1HB   LYS   6          2HB       LYS   6  -4.180   5.931  -7.364
   44   2HB   LYS   6          1HB       LYS   6  -4.947   7.211  -6.435
   45   1HG   LYS   6          2HG       LYS   6  -2.998   8.264  -6.444
   46   2HG   LYS   6          1HG       LYS   6  -2.385   7.002  -5.372
   47   1HD   LYS   6          2HD       LYS   6  -1.420   5.810  -7.130
   48   2HD   LYS   6          1HD       LYS   6  -2.415   6.616  -8.345
   49   1HE   LYS   6          2HE       LYS   6  -1.130   8.747  -7.386
   50   2HE   LYS   6          1HE       LYS   6   0.079   7.517  -7.020
   51   1HZ   LYS   6          1HZ       LYS   6  -0.999   7.300  -9.673
   52   2HZ   LYS   6          2HZ       LYS   6   0.612   7.318  -9.162
   53   3HZ   LYS   6          3HZ       LYS   6  -0.215   8.774  -9.400
   54    H    ASP   7           H        ASP   7  -2.191   5.259  -4.073
   55    HA   ASP   7           HA       ASP   7  -1.177   6.492  -2.379
   56   1HB   ASP   7          2HB       ASP   7  -2.743   8.386  -2.856
   57   2HB   ASP   7          1HB       ASP   7  -3.921   7.627  -1.788
   58    H    GLU   8           H        GLU   8  -3.894   4.466  -2.256
   59    HA   GLU   8           HA       GLU   8  -3.680   3.949   0.599
   60   1HB   GLU   8          2HB       GLU   8  -5.563   3.153  -1.571
   61   2HB   GLU   8          1HB       GLU   8  -5.425   2.098  -0.171
   62   1HG   GLU   8          2HG       GLU   8  -5.685   4.816   0.687
   63   2HG   GLU   8          1HG       GLU   8  -6.978   4.414  -0.441
   64    H    LEU   9           H        LEU   9  -2.973   2.012   1.494
   65    HA   LEU   9           HA       LEU   9  -0.840   0.740   0.213
   66   1HB   LEU   9          2HB       LEU   9  -2.476   0.050   2.634
   67   2HB   LEU   9          1HB       LEU   9  -1.127  -0.938   2.113
   68    HG   LEU   9           HG       LEU   9  -0.968   1.131   3.878
   69   1HD1  LEU   9          1HD1      LEU   9   0.686  -0.770   2.879
   70   2HD1  LEU   9          2HD1      LEU   9   1.166   0.464   4.043
   71   3HD1  LEU   9          3HD1      LEU   9   1.478   0.705   2.325
   72   1HD2  LEU   9          1HD2      LEU   9   0.555   2.723   2.423
   73   2HD2  LEU   9          2HD2      LEU   9  -1.182   2.987   2.572
   74   3HD2  LEU   9          3HD2      LEU   9  -0.530   2.190   1.140
   75    H    CYS  10           H        CYS  10  -0.944  -1.892   0.494
   76    HA   CYS  10           HA       CYS  10  -3.067  -3.433  -0.181
   77   1HB   CYS  10          2HB       CYS  10  -3.067  -1.634  -2.142
   78   2HB   CYS  10          1HB       CYS  10  -1.884  -2.742  -2.827
   79    H    ILE  11           H        ILE  11  -2.381  -5.353  -1.716
   80    HA   ILE  11           HA       ILE  11   0.487  -5.852  -1.423
   81    HB   ILE  11           HB       ILE  11  -1.292  -8.157  -0.933
   82   1HG1  ILE  11          2HG1      ILE  11  -0.775  -6.176   1.283
   83   2HG1  ILE  11          1HG1      ILE  11  -2.282  -6.216   0.374
   84   1HG2  ILE  11          1HG2      ILE  11   1.428  -7.261  -0.297
   85   2HG2  ILE  11          2HG2      ILE  11   0.810  -8.884  -0.604
   86   3HG2  ILE  11          3HG2      ILE  11   0.626  -8.157   0.993
   87   1HD1  ILE  11          1HD1      ILE  11  -1.975  -7.498   2.663
   88   2HD1  ILE  11          2HD1      ILE  11  -1.349  -8.749   1.589
   89   3HD1  ILE  11          3HD1      ILE  11  -2.985  -8.130   1.363
   90    HA   PRO  12           HA       PRO  12  -0.262  -6.974  -5.700
   91   1HB   PRO  12          2HB       PRO  12   2.327  -7.659  -6.241
   92   2HB   PRO  12          1HB       PRO  12   1.742  -5.992  -6.224
   93   1HG   PRO  12          2HG       PRO  12   3.207  -7.507  -4.100
   94   2HG   PRO  12          1HG       PRO  12   3.434  -5.833  -4.642
   95   1HD   PRO  12          2HD       PRO  12   2.082  -6.440  -2.388
   96   2HD   PRO  12          1HD       PRO  12   1.640  -5.057  -3.410
   97    H    TYR  13           H        TYR  13  -0.390  -8.857  -3.281
   98    HA   TYR  13           HA       TYR  13  -0.354 -11.302  -4.843
   99   1HB   TYR  13          2HB       TYR  13   1.122 -11.233  -2.210
  100   2HB   TYR  13          1HB       TYR  13   1.058 -12.550  -3.376
  101    HD1  TYR  13           HD1      TYR  13   2.449  -9.197  -2.713
  102    HD2  TYR  13           HD2      TYR  13   2.540 -12.614  -5.246
  103    HE1  TYR  13           HE1      TYR  13   4.513  -8.362  -3.755
  104    HE2  TYR  13           HE2      TYR  13   4.606 -11.788  -6.295
  105    HH   TYR  13           HH       TYR  13   6.585  -9.731  -5.090
  106    H    TYR  14           H        TYR  14  -2.387  -9.629  -3.649
  107    HA   TYR  14           HA       TYR  14  -3.871 -11.670  -2.286
  108   1HB   TYR  14          2HB       TYR  14  -2.434  -9.690  -0.738
  109   2HB   TYR  14          1HB       TYR  14  -4.168  -9.556  -0.471
  110    HD1  TYR  14           HD1      TYR  14  -1.193 -11.567   0.074
  111    HD2  TYR  14           HD2      TYR  14  -5.428 -11.461   0.462
  112    HE1  TYR  14           HE1      TYR  14  -1.091 -13.463   1.634
  113    HE2  TYR  14           HE2      TYR  14  -5.339 -13.355   2.024
  114    HH   TYR  14           HH       TYR  14  -4.037 -14.773   3.131
  115    H    LEU  15           H        LEU  15  -3.834  -8.108  -2.478
  116    HA   LEU  15           HA       LEU  15  -6.579  -8.233  -3.537
  117   1HB   LEU  15          2HB       LEU  15  -5.651  -5.666  -2.463
  118   2HB   LEU  15          1HB       LEU  15  -7.176  -6.498  -2.228
  119    HG   LEU  15           HG       LEU  15  -5.701  -8.077  -0.717
  120   1HD1  LEU  15          1HD1      LEU  15  -3.644  -7.392  -0.266
  121   2HD1  LEU  15          2HD1      LEU  15  -4.256  -5.830   0.280
  122   3HD1  LEU  15          3HD1      LEU  15  -3.850  -6.075  -1.420
  123   1HD2  LEU  15          1HD2      LEU  15  -6.439  -5.367   0.341
  124   2HD2  LEU  15          2HD2      LEU  15  -6.502  -6.925   1.165
  125   3HD2  LEU  15          3HD2      LEU  15  -7.653  -6.560  -0.120
  126    H    ASP  16           H        ASP  16  -7.117  -6.117  -4.776
  127    HA   ASP  16           HA       ASP  16  -4.868  -5.300  -6.472
  128   1HB   ASP  16          2HB       ASP  16  -6.635  -5.412  -8.402
  129   2HB   ASP  16          1HB       ASP  16  -5.779  -6.872  -7.915
  130    H    CYS  17           H        CYS  17  -5.316  -3.318  -7.709
  131    HA   CYS  17           HA       CYS  17  -6.889  -1.480  -6.111
  132   1HB   CYS  17          2HB       CYS  17  -5.059  -0.948  -8.458
  133   2HB   CYS  17          1HB       CYS  17  -5.760   0.258  -7.394
  134    H    CYS  18           H        CYS  18  -8.059   0.289  -7.375
  135    HA   CYS  18           HA       CYS  18 -10.189  -0.871  -8.784
  136   1HB   CYS  18          2HB       CYS  18  -9.622   2.026  -9.146
  137   2HB   CYS  18          1HB       CYS  18 -11.137   1.210  -8.784
  138    H    GLU  19           H        GLU  19  -8.415   1.814 -10.209
  139    HA   GLU  19           HA       GLU  19  -7.070   0.686 -12.276
  140   1HB   GLU  19          2HB       GLU  19  -8.887  -0.520 -13.125
  141   2HB   GLU  19          1HB       GLU  19 -10.017   0.795 -12.831
  142   1HG   GLU  19          2HG       GLU  19  -8.032   1.708 -14.651
  143   2HG   GLU  19          1HG       GLU  19  -8.641   0.150 -15.213
  144    HA   PRO  20           HA       PRO  20  -6.362   1.046 -14.111
  145   1HB   PRO  20          2HB       PRO  20  -4.320   2.268 -15.319
  146   2HB   PRO  20          1HB       PRO  20  -5.967   2.410 -15.948
  147   1HG   PRO  20          2HG       PRO  20  -4.365   4.368 -14.367
  148   2HG   PRO  20          1HG       PRO  20  -5.501   4.659 -15.696
  149   1HD   PRO  20          2HD       PRO  20  -6.070   4.922 -12.972
  150   2HD   PRO  20          1HD       PRO  20  -7.269   4.801 -14.274
  151    H    LEU  21           H        LEU  21  -5.806   2.362 -11.348
  152    HA   LEU  21           HA       LEU  21  -3.058   2.312 -10.836
  153   1HB   LEU  21          2HB       LEU  21  -5.258   1.564  -8.911
  154   2HB   LEU  21          1HB       LEU  21  -3.646   2.113  -8.495
  155    HG   LEU  21           HG       LEU  21  -5.495   3.866 -10.081
  156   1HD1  LEU  21          1HD1      LEU  21  -6.534   4.710  -8.201
  157   2HD1  LEU  21          2HD1      LEU  21  -5.307   4.071  -7.107
  158   3HD1  LEU  21          3HD1      LEU  21  -6.481   2.983  -7.847
  159   1HD2  LEU  21          1HD2      LEU  21  -3.232   4.464  -8.180
  160   2HD2  LEU  21          2HD2      LEU  21  -4.136   5.637  -9.137
  161   3HD2  LEU  21          3HD2      LEU  21  -3.111   4.448  -9.939
  162    H    GLU  22           H        GLU  22  -2.037   0.683  -9.271
  163    HA   GLU  22           HA       GLU  22  -2.827  -2.066  -9.934
  164   1HB   GLU  22          2HB       GLU  22  -0.678  -0.813 -11.129
  165   2HB   GLU  22          1HB       GLU  22   0.069  -1.692  -9.801
  166   1HG   GLU  22          2HG       GLU  22  -0.238  -3.671 -10.779
  167   2HG   GLU  22          1HG       GLU  22  -1.873  -3.268 -11.302
  168    H    CYS  23           H        CYS  23  -3.206  -3.081  -8.091
  169    HA   CYS  23           HA       CYS  23  -2.313  -2.165  -5.565
  170   1HB   CYS  23          2HB       CYS  23  -4.349  -3.370  -5.594
  171   2HB   CYS  23          1HB       CYS  23  -3.642  -4.703  -6.500
  172    H    LYS  24           H        LYS  24   0.007  -2.031  -6.065
  173    HA   LYS  24           HA       LYS  24   1.351  -4.459  -5.207
  174   1HB   LYS  24          2HB       LYS  24   3.082  -4.068  -7.094
  175   2HB   LYS  24          1HB       LYS  24   1.591  -4.920  -7.471
  176   1HG   LYS  24          2HG       LYS  24   1.615  -3.485  -9.219
  177   2HG   LYS  24          1HG       LYS  24   0.783  -2.458  -8.049
  178   1HD   LYS  24          2HD       LYS  24   2.442  -1.078  -8.956
  179   2HD   LYS  24          1HD       LYS  24   3.116  -1.610  -7.414
  180   1HE   LYS  24          2HE       LYS  24   4.856  -1.806  -9.008
  181   2HE   LYS  24          1HE       LYS  24   4.283  -3.443  -8.690
  182   1HZ   LYS  24          1HZ       LYS  24   3.842  -3.686 -10.832
  183   2HZ   LYS  24          2HZ       LYS  24   4.457  -2.142 -11.143
  184   3HZ   LYS  24          3HZ       LYS  24   2.810  -2.345 -10.819
  185    H    LYS  25           H        LYS  25   3.962  -3.646  -5.751
  186    HA   LYS  25           HA       LYS  25   4.451  -1.891  -3.585
  187   1HB   LYS  25          2HB       LYS  25   6.016  -3.665  -4.321
  188   2HB   LYS  25          1HB       LYS  25   6.336  -2.748  -5.787
  189   1HG   LYS  25          2HG       LYS  25   7.069  -0.857  -4.241
  190   2HG   LYS  25          1HG       LYS  25   7.081  -2.076  -2.963
  191   1HD   LYS  25          2HD       LYS  25   8.486  -2.725  -5.496
  192   2HD   LYS  25          1HD       LYS  25   9.232  -1.531  -4.431
  193   1HE   LYS  25          2HE       LYS  25   8.919  -3.225  -2.564
  194   2HE   LYS  25          1HE       LYS  25   8.546  -4.395  -3.828
  195   1HZ   LYS  25          1HZ       LYS  25  11.081  -3.367  -2.996
  196   2HZ   LYS  25          2HZ       LYS  25  10.859  -3.220  -4.666
  197   3HZ   LYS  25          3HZ       LYS  25  10.727  -4.735  -3.928
  198    H    VAL  26           H        VAL  26   4.529   0.243  -3.500
  199    HA   VAL  26           HA       VAL  26   4.239   1.786  -5.947
  200    HB   VAL  26           HB       VAL  26   4.466   3.151  -3.324
  201   1HG1  VAL  26          1HG1      VAL  26   2.116   3.652  -4.939
  202   2HG1  VAL  26          2HG1      VAL  26   3.604   3.799  -5.875
  203   3HG1  VAL  26          3HG1      VAL  26   3.383   4.761  -4.415
  204   1HG2  VAL  26          1HG2      VAL  26   2.255   1.233  -4.003
  205   2HG2  VAL  26          2HG2      VAL  26   2.021   2.582  -2.892
  206   3HG2  VAL  26          3HG2      VAL  26   3.211   1.333  -2.524
  207    H    ASN  27           H        ASN  27   6.621   0.921  -3.636
  208    HA   ASN  27           HA       ASN  27   8.601   2.546  -5.037
  209   1HB   ASN  27          2HB       ASN  27   8.969   2.417  -2.132
  210   2HB   ASN  27          1HB       ASN  27   9.287   3.734  -3.245
  211   1HD2  ASN  27          1HD2      ASN  27   7.368   2.705  -0.767
  212   2HD2  ASN  27          2HD2      ASN  27   6.034   3.784  -0.976
  213    H    TRP  28           H        TRP  28   9.343   1.110  -2.007
  214    HA   TRP  28           HA       TRP  28  10.300  -1.363  -3.207
  215   1HB   TRP  28          2HB       TRP  28  12.542  -1.044  -2.822
  216   2HB   TRP  28          1HB       TRP  28  12.074   0.618  -3.168
  217    HD1  TRP  28           HD1      TRP  28  10.737   1.154  -0.244
  218    HE1  TRP  28           HE1      TRP  28  12.312   1.529   1.755
  219    HE3  TRP  28           HE3      TRP  28  14.967  -1.003  -2.132
  220    HZ2  TRP  28           HZ2      TRP  28  14.997   0.984   2.440
  221    HZ3  TRP  28           HZ3      TRP  28  16.996  -1.035  -0.743
  222    HH2  TRP  28           HH2      TRP  28  17.010  -0.061   1.497
  223    H    TRP  29           H        TRP  29   9.184   0.471  -0.561
  224    HA   TRP  29           HA       TRP  29   9.317  -1.917   1.157
  225   1HB   TRP  29          2HB       TRP  29  10.091  -0.744   2.955
  226   2HB   TRP  29          1HB       TRP  29  10.794   0.252   1.684
  227    HD1  TRP  29           HD1      TRP  29   7.643   0.203   3.940
  228    HE1  TRP  29           HE1      TRP  29   6.936   2.640   4.370
  229    HE3  TRP  29           HE3      TRP  29  11.066   2.578   0.973
  230    HZ2  TRP  29           HZ2      TRP  29   7.725   5.226   3.559
  231    HZ3  TRP  29           HZ3      TRP  29  11.019   5.036   0.855
  232    HH2  TRP  29           HH2      TRP  29   9.383   6.331   2.123
  233    H    ASP  30           H        ASP  30   7.547   0.955   0.182
  234    HA   ASP  30           HA       ASP  30   5.254   0.136   1.807
  235   1HB   ASP  30          2HB       ASP  30   6.301   2.626   1.253
  236   2HB   ASP  30          1HB       ASP  30   4.918   2.533   0.166
  237    H    HIS  31           H        HIS  31   3.875  -1.231   0.908
  238    HA   HIS  31           HA       HIS  31   3.553  -1.278  -1.995
  239   1HB   HIS  31          2HB       HIS  31   3.015  -3.189   0.229
  240   2HB   HIS  31          1HB       HIS  31   2.030  -3.315  -1.220
  241    HD1  HIS  31           HD1      HIS  31   5.642  -3.497  -0.124
  242    HD2  HIS  31           HD2      HIS  31   3.234  -4.575  -3.330
  243    HE1  HIS  31           HE1      HIS  31   7.097  -4.910  -1.610
  244    HE2  HIS  31           HE2      HIS  31   5.599  -5.607  -3.514
  245    H    LYS  32           H        LYS  32   1.971  -0.114  -2.867
  246    HA   LYS  32           HA       LYS  32  -0.628  -0.008  -1.542
  247   1HB   LYS  32          2HB       LYS  32   0.490   2.529  -2.682
  248   2HB   LYS  32          1HB       LYS  32  -0.805   2.314  -1.513
  249   1HG   LYS  32          2HG       LYS  32   0.906   1.561   0.137
  250   2HG   LYS  32          1HG       LYS  32   2.148   1.999  -1.038
  251   1HD   LYS  32          2HD       LYS  32   0.140   4.081  -0.507
  252   2HD   LYS  32          1HD       LYS  32   1.176   3.673   0.863
  253   1HE   LYS  32          2HE       LYS  32   3.107   3.890  -0.847
  254   2HE   LYS  32          1HE       LYS  32   1.929   4.771  -1.820
  255   1HZ   LYS  32          1HZ       LYS  32   2.478   5.497   0.995
  256   2HZ   LYS  32          2HZ       LYS  32   1.738   6.430  -0.205
  257   3HZ   LYS  32          3HZ       LYS  32   3.398   6.120  -0.282
  258    H    CYS  33           H        CYS  33  -1.344   2.173  -3.456
  259    HA   CYS  33           HA       CYS  33  -1.723   0.474  -5.819
  260   1HB   CYS  33          2HB       CYS  33  -3.376   2.564  -4.469
  261   2HB   CYS  33          1HB       CYS  33  -3.593   2.280  -6.187
  262    H    ILE  34           H        ILE  34  -0.741   1.048  -7.651
  263    HA   ILE  34           HA       ILE  34   0.252   3.809  -7.889
  264    HB   ILE  34           HB       ILE  34   1.724   2.527  -9.721
  265   1HG1  ILE  34          2HG1      ILE  34   0.657   0.344  -9.151
  266   2HG1  ILE  34          1HG1      ILE  34   2.405   0.344  -8.940
  267   1HG2  ILE  34          1HG2      ILE  34   3.373   3.238  -8.405
  268   2HG2  ILE  34          2HG2      ILE  34   2.921   2.121  -7.116
  269   3HG2  ILE  34          3HG2      ILE  34   2.128   3.691  -7.240
  270   1HD1  ILE  34          1HD1      ILE  34   1.412  -0.813  -7.108
  271   2HD1  ILE  34          2HD1      ILE  34   0.315   0.532  -6.790
  272   3HD1  ILE  34          3HD1      ILE  34   2.046   0.722  -6.513
  273    H    GLY  35           HN       GLY  35   0.970   3.613 -10.618
  274   1HA   GLY  35          2HA       GLY  35  -1.028   2.724 -12.342
  275   2HA   GLY  35          1HA       GLY  35  -1.477   4.346 -11.837
  Start of MODEL    5
    1    HN   PCA   1           HN       PCA   1 -15.104  -8.489  -4.669
    2    HA   PCA   1           HA       PCA   1 -13.338  -8.039  -2.889
    3   1HB   PCA   1          1HB       PCA   1 -10.993  -8.019  -4.504
    4   2HB   PCA   1          2HB       PCA   1 -11.475  -9.326  -3.382
    5   1HG   PCA   1          1HG       PCA   1 -11.770  -9.181  -6.368
    6   2HG   PCA   1          2HG       PCA   1 -11.662 -10.619  -5.307
    7    H    GLN   2           H        GLN   2 -13.756  -5.951  -2.595
    8    HA   GLN   2           HA       GLN   2 -14.248  -4.020  -4.489
    9   1HB   GLN   2          2HB       GLN   2 -13.116  -2.598  -2.391
   10   2HB   GLN   2          1HB       GLN   2 -14.813  -3.026  -2.567
   11   1HG   GLN   2          2HG       GLN   2 -13.780  -5.300  -1.485
   12   2HG   GLN   2          1HG       GLN   2 -12.791  -4.054  -0.725
   13   1HE2  GLN   2          1HE2      GLN   2 -14.333  -5.501   0.886
   14   2HE2  GLN   2          2HE2      GLN   2 -15.692  -4.590   1.442
   15    H    CYS   3           H        CYS   3 -13.050  -2.325  -5.395
   16    HA   CYS   3           HA       CYS   3 -10.453  -2.987  -6.268
   17   1HB   CYS   3          2HB       CYS   3 -10.543  -1.056  -7.547
   18   2HB   CYS   3          1HB       CYS   3 -12.254  -1.381  -7.310
   19    H    VAL   4           H        VAL   4  -9.238  -0.406  -6.134
   20    HA   VAL   4           HA       VAL   4  -8.804   0.253  -3.363
   21    HB   VAL   4           HB       VAL   4  -6.418  -0.720  -4.920
   22   1HG1  VAL   4          1HG1      VAL   4  -6.680   0.831  -2.617
   23   2HG1  VAL   4          2HG1      VAL   4  -5.214   0.060  -3.221
   24   3HG1  VAL   4          3HG1      VAL   4  -6.230  -0.775  -2.046
   25   1HG2  VAL   4          1HG2      VAL   4  -8.018  -2.573  -4.482
   26   2HG2  VAL   4          2HG2      VAL   4  -7.883  -2.223  -2.759
   27   3HG2  VAL   4          3HG2      VAL   4  -6.469  -2.765  -3.662
   28    H    LYS   5           H        LYS   5  -8.451   2.355  -3.248
   29    HA   LYS   5           HA       LYS   5  -8.049   3.870  -5.653
   30   1HB   LYS   5          2HB       LYS   5  -9.240   4.319  -3.141
   31   2HB   LYS   5          1HB       LYS   5  -7.932   5.477  -3.294
   32   1HG   LYS   5          2HG       LYS   5  -9.735   5.162  -5.617
   33   2HG   LYS   5          1HG       LYS   5 -10.383   5.964  -4.183
   34   1HD   LYS   5          2HD       LYS   5  -9.316   7.837  -4.722
   35   2HD   LYS   5          1HD       LYS   5  -7.770   6.983  -4.709
   36   1HE   LYS   5          2HE       LYS   5  -8.756   6.155  -7.076
   37   2HE   LYS   5          1HE       LYS   5  -9.500   7.750  -6.972
   38   1HZ   LYS   5          1HZ       LYS   5  -6.652   7.037  -7.122
   39   2HZ   LYS   5          2HZ       LYS   5  -7.104   8.480  -6.365
   40   3HZ   LYS   5          3HZ       LYS   5  -7.510   8.213  -7.985
   41    H    LYS   6           H        LYS   6  -6.366   5.369  -6.026
   42    HA   LYS   6           HA       LYS   6  -3.786   4.475  -5.416
   43   1HB   LYS   6          2HB       LYS   6  -4.149   5.830  -7.368
   44   2HB   LYS   6          1HB       LYS   6  -4.768   7.158  -6.397
   45   1HG   LYS   6          2HG       LYS   6  -2.710   7.994  -6.537
   46   2HG   LYS   6          1HG       LYS   6  -2.272   6.773  -5.341
   47   1HD   LYS   6          2HD       LYS   6  -1.346   5.362  -6.930
   48   2HD   LYS   6          1HD       LYS   6  -2.264   6.087  -8.252
   49   1HE   LYS   6          2HE       LYS   6  -0.776   7.775  -8.540
   50   2HE   LYS   6          1HE       LYS   6  -0.373   7.857  -6.825
   51   1HZ   LYS   6          1HZ       LYS   6   1.289   6.903  -8.628
   52   2HZ   LYS   6          2HZ       LYS   6   0.467   5.468  -8.273
   53   3HZ   LYS   6          3HZ       LYS   6   1.253   6.318  -7.040
   54    H    ASP   7           H        ASP   7  -2.223   5.187  -3.989
   55    HA   ASP   7           HA       ASP   7  -1.325   6.429  -2.238
   56   1HB   ASP   7          2HB       ASP   7  -3.391   8.061  -2.857
   57   2HB   ASP   7          1HB       ASP   7  -3.915   7.486  -1.276
   58    H    GLU   8           H        GLU   8  -3.997   4.338  -2.253
   59    HA   GLU   8           HA       GLU   8  -3.895   3.797   0.605
   60   1HB   GLU   8          2HB       GLU   8  -5.561   2.557  -1.594
   61   2HB   GLU   8          1HB       GLU   8  -5.709   2.179   0.117
   62   1HG   GLU   8          2HG       GLU   8  -6.279   4.553   0.539
   63   2HG   GLU   8          1HG       GLU   8  -6.258   4.825  -1.203
   64    H    LEU   9           H        LEU   9  -3.202   1.862   1.507
   65    HA   LEU   9           HA       LEU   9  -1.049   0.584   0.197
   66   1HB   LEU   9          2HB       LEU   9  -2.543   0.063   2.747
   67   2HB   LEU   9          1HB       LEU   9  -1.264  -1.005   2.205
   68    HG   LEU   9           HG       LEU   9  -0.975   1.256   3.782
   69   1HD1  LEU   9          1HD1      LEU   9   1.345   0.227   2.238
   70   2HD1  LEU   9          2HD1      LEU   9   0.465  -0.889   3.281
   71   3HD1  LEU   9          3HD1      LEU   9   1.193   0.566   3.961
   72   1HD2  LEU   9          1HD2      LEU   9  -1.202   2.750   1.914
   73   2HD2  LEU   9          2HD2      LEU   9  -0.024   1.828   0.981
   74   3HD2  LEU   9          3HD2      LEU   9   0.489   2.718   2.415
   75    H    CYS  10           H        CYS  10  -0.933  -1.901   0.211
   76    HA   CYS  10           HA       CYS  10  -3.184  -3.508  -0.171
   77   1HB   CYS  10          2HB       CYS  10  -3.347  -1.905  -2.184
   78   2HB   CYS  10          1HB       CYS  10  -1.954  -2.775  -2.815
   79    H    ILE  11           H        ILE  11  -2.359  -5.357  -1.974
   80    HA   ILE  11           HA       ILE  11   0.448  -5.897  -1.491
   81    HB   ILE  11           HB       ILE  11  -1.417  -8.125  -0.874
   82   1HG1  ILE  11          2HG1      ILE  11  -2.175  -6.107   0.443
   83   2HG1  ILE  11          1HG1      ILE  11  -1.685  -7.493   1.411
   84   1HG2  ILE  11          1HG2      ILE  11   0.724  -8.051   0.905
   85   2HG2  ILE  11          2HG2      ILE  11   1.394  -7.516  -0.636
   86   3HG2  ILE  11          3HG2      ILE  11   0.569  -9.072  -0.524
   87   1HD1  ILE  11          1HD1      ILE  11  -0.072  -6.341   2.411
   88   2HD1  ILE  11          2HD1      ILE  11  -0.835  -4.903   1.730
   89   3HD1  ILE  11          3HD1      ILE  11   0.511  -5.672   0.886
   90    HA   PRO  12           HA       PRO  12  -0.165  -7.193  -5.729
   91   1HB   PRO  12          2HB       PRO  12   2.398  -8.126  -6.060
   92   2HB   PRO  12          1HB       PRO  12   1.933  -6.430  -6.221
   93   1HG   PRO  12          2HG       PRO  12   3.174  -7.843  -3.896
   94   2HG   PRO  12          1HG       PRO  12   3.530  -6.234  -4.551
   95   1HD   PRO  12          2HD       PRO  12   2.032  -6.566  -2.341
   96   2HD   PRO  12          1HD       PRO  12   1.704  -5.267  -3.507
   97    H    TYR  13           H        TYR  13  -0.589  -8.931  -3.242
   98    HA   TYR  13           HA       TYR  13  -0.820 -11.419  -4.656
   99   1HB   TYR  13          2HB       TYR  13   0.843 -11.509  -2.148
  100   2HB   TYR  13          1HB       TYR  13   0.630 -12.760  -3.369
  101    HD1  TYR  13           HD1      TYR  13   2.424  -9.710  -2.466
  102    HD2  TYR  13           HD2      TYR  13   1.862 -12.665  -5.475
  103    HE1  TYR  13           HE1      TYR  13   4.488  -8.964  -3.576
  104    HE2  TYR  13           HE2      TYR  13   3.926 -11.929  -6.593
  105    HH   TYR  13           HH       TYR  13   6.189 -10.620  -5.600
  106    H    TYR  14           H        TYR  14  -2.412  -9.390  -3.143
  107    HA   TYR  14           HA       TYR  14  -3.916 -11.306  -1.541
  108   1HB   TYR  14          2HB       TYR  14  -2.331  -9.151  -0.419
  109   2HB   TYR  14          1HB       TYR  14  -4.032  -8.981  -0.001
  110    HD1  TYR  14           HD1      TYR  14  -5.179 -10.785   1.256
  111    HD2  TYR  14           HD2      TYR  14  -0.989 -10.877   0.530
  112    HE1  TYR  14           HE1      TYR  14  -4.917 -12.471   3.025
  113    HE2  TYR  14           HE2      TYR  14  -0.714 -12.565   2.296
  114    HH   TYR  14           HH       TYR  14  -1.895 -14.124   3.555
  115    H    LEU  15           H        LEU  15  -3.714  -8.049  -2.912
  116    HA   LEU  15           HA       LEU  15  -6.543  -8.234  -3.613
  117   1HB   LEU  15          2HB       LEU  15  -5.862  -5.552  -2.732
  118   2HB   LEU  15          1HB       LEU  15  -7.254  -6.541  -2.337
  119    HG   LEU  15           HG       LEU  15  -5.713  -7.765  -0.703
  120   1HD1  LEU  15          1HD1      LEU  15  -3.707  -6.482  -1.853
  121   2HD1  LEU  15          2HD1      LEU  15  -3.673  -6.920  -0.146
  122   3HD1  LEU  15          3HD1      LEU  15  -4.096  -5.277  -0.625
  123   1HD2  LEU  15          1HD2      LEU  15  -6.024  -4.945   0.164
  124   2HD2  LEU  15          2HD2      LEU  15  -6.480  -6.440   0.980
  125   3HD2  LEU  15          3HD2      LEU  15  -7.472  -5.817  -0.338
  126    H    ASP  16           H        ASP  16  -7.061  -5.967  -4.811
  127    HA   ASP  16           HA       ASP  16  -4.844  -5.275  -6.589
  128   1HB   ASP  16          2HB       ASP  16  -6.823  -5.404  -8.420
  129   2HB   ASP  16          1HB       ASP  16  -5.710  -6.732  -8.109
  130    H    CYS  17           H        CYS  17  -5.199  -3.290  -7.780
  131    HA   CYS  17           HA       CYS  17  -6.829  -1.432  -6.265
  132   1HB   CYS  17          2HB       CYS  17  -4.918  -0.890  -8.541
  133   2HB   CYS  17          1HB       CYS  17  -5.609   0.291  -7.445
  134    H    CYS  18           H        CYS  18  -8.202   0.134  -7.333
  135    HA   CYS  18           HA       CYS  18 -10.152  -0.973  -8.936
  136   1HB   CYS  18          2HB       CYS  18  -9.650   1.941  -9.238
  137   2HB   CYS  18          1HB       CYS  18 -11.154   1.080  -8.931
  138    H    GLU  19           H        GLU  19  -8.293   1.744 -10.196
  139    HA   GLU  19           HA       GLU  19  -6.832   0.779 -12.210
  140   1HB   GLU  19          2HB       GLU  19  -8.786  -0.577 -12.900
  141   2HB   GLU  19          1HB       GLU  19  -9.683   0.905 -13.203
  142   1HG   GLU  19          2HG       GLU  19  -8.216   1.512 -14.985
  143   2HG   GLU  19          1HG       GLU  19  -7.119   0.186 -14.599
  144    HA   PRO  20           HA       PRO  20  -6.207   1.204 -14.182
  145   1HB   PRO  20          2HB       PRO  20  -4.204   2.594 -15.281
  146   2HB   PRO  20          1HB       PRO  20  -5.837   2.646 -15.956
  147   1HG   PRO  20          2HG       PRO  20  -4.433   4.643 -14.233
  148   2HG   PRO  20          1HG       PRO  20  -5.504   4.915 -15.618
  149   1HD   PRO  20          2HD       PRO  20  -6.268   5.086 -12.960
  150   2HD   PRO  20          1HD       PRO  20  -7.376   4.830 -14.321
  151    H    LEU  21           H        LEU  21  -5.792   2.410 -11.354
  152    HA   LEU  21           HA       LEU  21  -3.039   2.454 -10.799
  153   1HB   LEU  21          2HB       LEU  21  -5.235   1.607  -8.912
  154   2HB   LEU  21          1HB       LEU  21  -3.654   2.230  -8.478
  155    HG   LEU  21           HG       LEU  21  -5.530   3.919 -10.090
  156   1HD1  LEU  21          1HD1      LEU  21  -6.968   3.406  -8.331
  157   2HD1  LEU  21          2HD1      LEU  21  -6.186   4.899  -7.813
  158   3HD1  LEU  21          3HD1      LEU  21  -5.658   3.353  -7.150
  159   1HD2  LEU  21          1HD2      LEU  21  -3.022   4.383  -9.525
  160   2HD2  LEU  21          2HD2      LEU  21  -3.670   4.854  -7.954
  161   3HD2  LEU  21          3HD2      LEU  21  -4.213   5.679  -9.415
  162    H    GLU  22           H        GLU  22  -1.986   0.820  -9.276
  163    HA   GLU  22           HA       GLU  22  -2.733  -1.932  -9.967
  164   1HB   GLU  22          2HB       GLU  22  -0.950  -1.171 -11.518
  165   2HB   GLU  22          1HB       GLU  22   0.084  -0.847 -10.133
  166   1HG   GLU  22          2HG       GLU  22   0.351  -3.098  -9.643
  167   2HG   GLU  22          1HG       GLU  22  -1.078  -3.567 -10.562
  168    H    CYS  23           H        CYS  23  -2.983  -3.057  -8.174
  169    HA   CYS  23           HA       CYS  23  -2.082  -2.135  -5.634
  170   1HB   CYS  23          2HB       CYS  23  -4.085  -3.349  -5.564
  171   2HB   CYS  23          1HB       CYS  23  -3.463  -4.618  -6.613
  172    H    LYS  24           H        LYS  24   0.217  -1.968  -6.084
  173    HA   LYS  24           HA       LYS  24   1.596  -4.428  -5.384
  174   1HB   LYS  24          2HB       LYS  24   3.331  -3.789  -7.249
  175   2HB   LYS  24          1HB       LYS  24   1.922  -4.765  -7.638
  176   1HG   LYS  24          2HG       LYS  24   1.632  -3.293  -9.294
  177   2HG   LYS  24          1HG       LYS  24   0.954  -2.260  -8.034
  178   1HD   LYS  24          2HD       LYS  24   2.619  -1.073  -9.392
  179   2HD   LYS  24          1HD       LYS  24   3.121  -1.204  -7.705
  180   1HE   LYS  24          2HE       LYS  24   4.008  -3.139  -9.832
  181   2HE   LYS  24          1HE       LYS  24   4.899  -1.666  -9.450
  182   1HZ   LYS  24          1HZ       LYS  24   4.542  -4.093  -7.842
  183   2HZ   LYS  24          2HZ       LYS  24   4.731  -2.617  -7.038
  184   3HZ   LYS  24          3HZ       LYS  24   5.933  -3.162  -8.095
  185    H    LYS  25           H        LYS  25   4.192  -3.336  -6.084
  186    HA   LYS  25           HA       LYS  25   4.627  -1.772  -3.722
  187   1HB   LYS  25          2HB       LYS  25   6.190  -3.525  -4.805
  188   2HB   LYS  25          1HB       LYS  25   6.674  -2.217  -5.877
  189   1HG   LYS  25          2HG       LYS  25   7.652  -1.001  -4.162
  190   2HG   LYS  25          1HG       LYS  25   6.752  -1.856  -2.909
  191   1HD   LYS  25          2HD       LYS  25   9.254  -2.405  -3.231
  192   2HD   LYS  25          1HD       LYS  25   8.113  -3.739  -3.043
  193   1HE   LYS  25          2HE       LYS  25   8.066  -4.077  -5.440
  194   2HE   LYS  25          1HE       LYS  25   9.112  -2.680  -5.684
  195   1HZ   LYS  25          1HZ       LYS  25  10.819  -3.871  -4.354
  196   2HZ   LYS  25          2HZ       LYS  25  10.438  -4.632  -5.816
  197   3HZ   LYS  25          3HZ       LYS  25   9.822  -5.239  -4.362
  198    H    VAL  26           H        VAL  26   4.573   0.351  -3.532
  199    HA   VAL  26           HA       VAL  26   4.335   2.014  -5.907
  200    HB   VAL  26           HB       VAL  26   4.369   3.254  -3.219
  201   1HG1  VAL  26          1HG1      VAL  26   2.379   4.413  -4.185
  202   2HG1  VAL  26          2HG1      VAL  26   2.632   3.490  -5.668
  203   3HG1  VAL  26          3HG1      VAL  26   3.866   4.621  -5.111
  204   1HG2  VAL  26          1HG2      VAL  26   2.538   2.269  -2.332
  205   2HG2  VAL  26          2HG2      VAL  26   3.078   0.900  -3.303
  206   3HG2  VAL  26          3HG2      VAL  26   1.805   1.961  -3.906
  207    H    ASN  27           H        ASN  27   6.641   1.122  -3.534
  208    HA   ASN  27           HA       ASN  27   8.566   3.021  -4.671
  209   1HB   ASN  27          2HB       ASN  27   7.666   2.837  -1.904
  210   2HB   ASN  27          1HB       ASN  27   9.415   2.789  -2.073
  211   1HD2  ASN  27          1HD2      ASN  27   7.193   4.803  -1.239
  212   2HD2  ASN  27          2HD2      ASN  27   7.716   6.269  -1.986
  213    H    TRP  28           H        TRP  28   9.535   1.275  -1.932
  214    HA   TRP  28           HA       TRP  28  10.567  -0.973  -3.480
  215   1HB   TRP  28          2HB       TRP  28  12.783  -0.566  -3.095
  216   2HB   TRP  28          1HB       TRP  28  12.222   1.104  -3.084
  217    HD1  TRP  28           HD1      TRP  28  10.981   1.136  -0.142
  218    HE1  TRP  28           HE1      TRP  28  12.562   1.112   1.887
  219    HE3  TRP  28           HE3      TRP  28  15.150  -0.790  -2.387
  220    HZ2  TRP  28           HZ2      TRP  28  15.226   0.374   2.461
  221    HZ3  TRP  28           HZ3      TRP  28  17.173  -1.125  -1.027
  222    HH2  TRP  28           HH2      TRP  28  17.209  -0.553   1.347
  223    H    TRP  29           H        TRP  29   9.294   0.383  -0.666
  224    HA   TRP  29           HA       TRP  29   9.403  -2.218   0.686
  225   1HB   TRP  29          2HB       TRP  29  10.244  -1.403   2.651
  226   2HB   TRP  29          1HB       TRP  29  11.016  -0.263   1.552
  227    HD1  TRP  29           HD1      TRP  29   7.847  -0.466   3.774
  228    HE1  TRP  29           HE1      TRP  29   7.308   1.910   4.607
  229    HE3  TRP  29           HE3      TRP  29  11.463   2.122   1.249
  230    HZ2  TRP  29           HZ2      TRP  29   8.288   4.531   4.242
  231    HZ3  TRP  29           HZ3      TRP  29  11.592   4.558   1.546
  232    HH2  TRP  29           HH2      TRP  29  10.037   5.739   3.012
  233    H    ASP  30           H        ASP  30   7.814   0.824   0.090
  234    HA   ASP  30           HA       ASP  30   5.498   0.103   1.699
  235   1HB   ASP  30          2HB       ASP  30   6.645   2.523   1.011
  236   2HB   ASP  30          1HB       ASP  30   5.222   2.450  -0.023
  237    H    HIS  31           H        HIS  31   4.021  -1.219   0.872
  238    HA   HIS  31           HA       HIS  31   3.651  -1.314  -2.032
  239   1HB   HIS  31          2HB       HIS  31   3.261  -3.241   0.197
  240   2HB   HIS  31          1HB       HIS  31   2.173  -3.371  -1.179
  241    HD1  HIS  31           HD1      HIS  31   5.925  -3.210  -0.564
  242    HD2  HIS  31           HD2      HIS  31   3.174  -4.907  -3.175
  243    HE1  HIS  31           HE1      HIS  31   7.274  -4.661  -2.111
  244    HE2  HIS  31           HE2      HIS  31   5.579  -5.743  -3.629
  245    H    LYS  32           H        LYS  32   2.066  -0.123  -2.834
  246    HA   LYS  32           HA       LYS  32  -0.539  -0.126  -1.532
  247   1HB   LYS  32          2HB       LYS  32   0.396   2.504  -2.562
  248   2HB   LYS  32          1HB       LYS  32  -0.737   2.146  -1.267
  249   1HG   LYS  32          2HG       LYS  32   1.270   1.352   0.069
  250   2HG   LYS  32          1HG       LYS  32   2.262   2.115  -1.177
  251   1HD   LYS  32          2HD       LYS  32   0.069   3.723   0.016
  252   2HD   LYS  32          1HD       LYS  32   1.490   3.411   1.013
  253   1HE   LYS  32          2HE       LYS  32   2.392   5.185  -0.002
  254   2HE   LYS  32          1HE       LYS  32   2.592   4.123  -1.396
  255   1HZ   LYS  32          1HZ       LYS  32   0.571   4.915  -2.328
  256   2HZ   LYS  32          2HZ       LYS  32   1.474   6.274  -1.881
  257   3HZ   LYS  32          3HZ       LYS  32   0.171   5.772  -0.925
  258    H    CYS  33           H        CYS  33  -1.342   2.082  -3.347
  259    HA   CYS  33           HA       CYS  33  -1.602   0.469  -5.780
  260   1HB   CYS  33          2HB       CYS  33  -3.339   2.474  -4.410
  261   2HB   CYS  33          1HB       CYS  33  -3.517   2.221  -6.139
  262    H    ILE  34           H        ILE  34  -0.731   1.160  -7.636
  263    HA   ILE  34           HA       ILE  34   0.238   3.940  -7.753
  264    HB   ILE  34           HB       ILE  34   1.736   2.698  -9.632
  265   1HG1  ILE  34          2HG1      ILE  34   0.748   0.493  -8.935
  266   2HG1  ILE  34          1HG1      ILE  34   2.505   0.567  -8.839
  267   1HG2  ILE  34          1HG2      ILE  34   3.120   3.863  -8.328
  268   2HG2  ILE  34          2HG2      ILE  34   3.267   2.399  -7.354
  269   3HG2  ILE  34          3HG2      ILE  34   2.094   3.641  -6.909
  270   1HD1  ILE  34          1HD1      ILE  34   0.561   0.048  -6.775
  271   2HD1  ILE  34          2HD1      ILE  34   1.650   1.362  -6.329
  272   3HD1  ILE  34          3HD1      ILE  34   2.305  -0.212  -6.777
  273    H    GLY  35           HN       GLY  35   0.980   3.882 -10.470
  274   1HA   GLY  35          2HA       GLY  35  -1.678   3.738 -11.746
  275   2HA   GLY  35          1HA       GLY  35  -0.477   4.959 -12.128
  Start of MODEL    6
    1    HN   PCA   1           HN       PCA   1 -14.227  -8.087  -2.636
    2    HA   PCA   1           HA       PCA   1 -11.719  -7.915  -2.644
    3   1HB   PCA   1          1HB       PCA   1 -11.034  -8.523  -5.293
    4   2HB   PCA   1          2HB       PCA   1 -10.993  -9.703  -3.948
    5   1HG   PCA   1          1HG       PCA   1 -13.055  -9.352  -6.111
    6   2HG   PCA   1          2HG       PCA   1 -12.619 -10.823  -5.186
    7    H    GLN   2           H        GLN   2 -13.734  -6.009  -2.905
    8    HA   GLN   2           HA       GLN   2 -14.038  -4.422  -5.033
    9   1HB   GLN   2          2HB       GLN   2 -13.195  -2.807  -2.745
   10   2HB   GLN   2          1HB       GLN   2 -14.748  -2.868  -3.570
   11   1HG   GLN   2          2HG       GLN   2 -14.753  -5.239  -2.248
   12   2HG   GLN   2          1HG       GLN   2 -13.849  -4.216  -1.132
   13   1HE2  GLN   2          1HE2      GLN   2 -16.031  -2.563  -3.136
   14   2HE2  GLN   2          2HE2      GLN   2 -17.298  -2.342  -1.982
   15    H    CYS   3           H        CYS   3 -12.971  -2.390  -5.718
   16    HA   CYS   3           HA       CYS   3 -10.316  -2.860  -6.518
   17   1HB   CYS   3          2HB       CYS   3 -10.475  -0.894  -7.705
   18   2HB   CYS   3          1HB       CYS   3 -12.183  -1.239  -7.477
   19    H    VAL   4           H        VAL   4  -9.201  -0.272  -6.183
   20    HA   VAL   4           HA       VAL   4  -8.894   0.270  -3.374
   21    HB   VAL   4           HB       VAL   4  -6.440  -0.642  -4.868
   22   1HG1  VAL   4          1HG1      VAL   4  -6.949  -0.015  -1.962
   23   2HG1  VAL   4          2HG1      VAL   4  -6.008   0.953  -3.097
   24   3HG1  VAL   4          3HG1      VAL   4  -5.437  -0.645  -2.618
   25   1HG2  VAL   4          1HG2      VAL   4  -8.488  -2.253  -3.755
   26   2HG2  VAL   4          2HG2      VAL   4  -7.074  -2.375  -2.708
   27   3HG2  VAL   4          3HG2      VAL   4  -6.935  -2.759  -4.423
   28    H    LYS   5           H        LYS   5  -8.488   2.374  -3.131
   29    HA   LYS   5           HA       LYS   5  -8.146   4.014  -5.446
   30   1HB   LYS   5          2HB       LYS   5  -9.181   4.357  -2.868
   31   2HB   LYS   5          1HB       LYS   5  -7.801   5.437  -2.972
   32   1HG   LYS   5          2HG       LYS   5  -8.715   6.590  -4.821
   33   2HG   LYS   5          1HG       LYS   5  -9.964   5.365  -5.051
   34   1HD   LYS   5          2HD       LYS   5 -10.224   6.272  -2.402
   35   2HD   LYS   5          1HD       LYS   5 -10.003   7.712  -3.399
   36   1HE   LYS   5          2HE       LYS   5 -12.016   7.494  -4.360
   37   2HE   LYS   5          1HE       LYS   5 -11.838   5.751  -4.551
   38   1HZ   LYS   5          1HZ       LYS   5 -13.567   5.933  -3.057
   39   2HZ   LYS   5          2HZ       LYS   5 -12.894   7.261  -2.253
   40   3HZ   LYS   5          3HZ       LYS   5 -12.246   5.716  -2.022
   41    H    LYS   6           H        LYS   6  -6.437   5.351  -5.976
   42    HA   LYS   6           HA       LYS   6  -3.850   4.390  -5.494
   43   1HB   LYS   6          2HB       LYS   6  -4.420   5.699  -7.480
   44   2HB   LYS   6          1HB       LYS   6  -4.727   7.111  -6.480
   45   1HG   LYS   6          2HG       LYS   6  -2.049   5.800  -6.399
   46   2HG   LYS   6          1HG       LYS   6  -2.469   6.867  -7.740
   47   1HD   LYS   6          2HD       LYS   6  -3.277   8.303  -5.542
   48   2HD   LYS   6          1HD       LYS   6  -1.812   7.505  -4.968
   49   1HE   LYS   6          2HE       LYS   6  -0.519   8.865  -6.163
   50   2HE   LYS   6          1HE       LYS   6  -1.442   8.545  -7.631
   51   1HZ   LYS   6          1HZ       LYS   6  -2.656  10.407  -7.379
   52   2HZ   LYS   6          2HZ       LYS   6  -1.330  10.925  -6.466
   53   3HZ   LYS   6          3HZ       LYS   6  -2.699  10.306  -5.690
   54    H    ASP   7           H        ASP   7  -2.204   5.057  -4.165
   55    HA   ASP   7           HA       ASP   7  -1.141   6.361  -2.553
   56   1HB   ASP   7          2HB       ASP   7  -2.958   8.147  -3.146
   57   2HB   ASP   7          1HB       ASP   7  -3.753   7.557  -1.690
   58    H    GLU   8           H        GLU   8  -3.925   4.420  -2.277
   59    HA   GLU   8           HA       GLU   8  -3.627   4.006   0.589
   60   1HB   GLU   8          2HB       GLU   8  -5.520   2.770  -1.420
   61   2HB   GLU   8          1HB       GLU   8  -5.549   2.456   0.310
   62   1HG   GLU   8          2HG       GLU   8  -6.038   4.808   0.734
   63   2HG   GLU   8          1HG       GLU   8  -6.000   5.129  -0.999
   64    H    LEU   9           H        LEU   9  -2.959   2.080   1.532
   65    HA   LEU   9           HA       LEU   9  -0.929   0.667   0.226
   66   1HB   LEU   9          2HB       LEU   9  -2.501   0.140   2.732
   67   2HB   LEU   9          1HB       LEU   9  -1.210  -0.918   2.203
   68    HG   LEU   9           HG       LEU   9  -0.909   1.205   3.882
   69   1HD1  LEU   9          1HD1      LEU   9   0.621  -0.754   3.290
   70   2HD1  LEU   9          2HD1      LEU   9   1.381   0.762   3.775
   71   3HD1  LEU   9          3HD1      LEU   9   1.306   0.319   2.069
   72   1HD2  LEU   9          1HD2      LEU   9  -1.228   2.460   1.491
   73   2HD2  LEU   9          2HD2      LEU   9   0.524   2.287   1.572
   74   3HD2  LEU   9          3HD2      LEU   9  -0.341   3.117   2.866
   75    H    CYS  10           H        CYS  10  -0.977  -1.862   0.307
   76    HA   CYS  10           HA       CYS  10  -3.247  -3.366  -0.124
   77   1HB   CYS  10          2HB       CYS  10  -3.391  -1.654  -2.087
   78   2HB   CYS  10          1HB       CYS  10  -2.127  -2.641  -2.811
   79    H    ILE  11           H        ILE  11  -2.540  -5.154  -2.055
   80    HA   ILE  11           HA       ILE  11   0.262  -5.811  -1.620
   81    HB   ILE  11           HB       ILE  11  -1.669  -8.030  -1.242
   82   1HG1  ILE  11          2HG1      ILE  11  -0.881  -6.290   1.088
   83   2HG1  ILE  11          1HG1      ILE  11  -2.382  -6.028   0.204
   84   1HG2  ILE  11          1HG2      ILE  11   1.067  -7.757  -1.155
   85   2HG2  ILE  11          2HG2      ILE  11   0.145  -9.113  -0.507
   86   3HG2  ILE  11          3HG2      ILE  11   0.614  -7.781   0.549
   87   1HD1  ILE  11          1HD1      ILE  11  -2.406  -7.455   2.348
   88   2HD1  ILE  11          2HD1      ILE  11  -1.738  -8.721   1.319
   89   3HD1  ILE  11          3HD1      ILE  11  -3.307  -8.012   0.938
   90    HA   PRO  12           HA       PRO  12  -0.323  -6.909  -5.901
   91   1HB   PRO  12          2HB       PRO  12   2.220  -7.668  -6.402
   92   2HB   PRO  12          1HB       PRO  12   1.763  -5.970  -6.218
   93   1HG   PRO  12          2HG       PRO  12   3.026  -7.818  -4.230
   94   2HG   PRO  12          1HG       PRO  12   3.414  -6.125  -4.587
   95   1HD   PRO  12          2HD       PRO  12   1.897  -6.891  -2.458
   96   2HD   PRO  12          1HD       PRO  12   1.702  -5.329  -3.277
   97    H    TYR  13           H        TYR  13  -0.583  -8.850  -3.512
   98    HA   TYR  13           HA       TYR  13  -0.821 -11.227  -5.103
   99   1HB   TYR  13          2HB       TYR  13   1.126 -11.256  -2.786
  100   2HB   TYR  13          1HB       TYR  13   0.674 -12.633  -3.785
  101    HD1  TYR  13           HD1      TYR  13   2.910  -9.862  -3.402
  102    HD2  TYR  13           HD2      TYR  13   1.283 -12.564  -6.258
  103    HE1  TYR  13           HE1      TYR  13   4.762  -9.347  -4.936
  104    HE2  TYR  13           HE2      TYR  13   3.129 -12.056  -7.799
  105    HH   TYR  13           HH       TYR  13   5.159 -11.076  -7.984
  106    H    TYR  14           H        TYR  14  -2.368  -9.377  -3.374
  107    HA   TYR  14           HA       TYR  14  -3.697 -11.426  -1.770
  108   1HB   TYR  14          2HB       TYR  14  -2.258  -9.104  -0.711
  109   2HB   TYR  14          1HB       TYR  14  -3.923  -9.209  -0.149
  110    HD1  TYR  14           HD1      TYR  14  -4.654 -11.095   1.224
  111    HD2  TYR  14           HD2      TYR  14  -0.610 -10.733  -0.045
  112    HE1  TYR  14           HE1      TYR  14  -3.985 -12.761   2.902
  113    HE2  TYR  14           HE2      TYR  14   0.071 -12.400   1.627
  114    HH   TYR  14           HH       TYR  14  -2.177 -14.332   3.320
  115    H    LEU  15           H        LEU  15  -3.770  -8.021  -2.779
  116    HA   LEU  15           HA       LEU  15  -6.629  -8.349  -3.398
  117   1HB   LEU  15          2HB       LEU  15  -5.832  -5.635  -2.676
  118   2HB   LEU  15          1HB       LEU  15  -7.232  -6.565  -2.177
  119    HG   LEU  15           HG       LEU  15  -5.839  -7.730  -0.500
  120   1HD1  LEU  15          1HD1      LEU  15  -3.631  -6.281  -0.073
  121   2HD1  LEU  15          2HD1      LEU  15  -3.721  -6.164  -1.831
  122   3HD1  LEU  15          3HD1      LEU  15  -3.651  -7.746  -1.054
  123   1HD2  LEU  15          1HD2      LEU  15  -6.811  -6.120   0.705
  124   2HD2  LEU  15          2HD2      LEU  15  -6.483  -4.884  -0.511
  125   3HD2  LEU  15          3HD2      LEU  15  -5.237  -5.326   0.656
  126    H    ASP  16           H        ASP  16  -7.121  -5.903  -4.515
  127    HA   ASP  16           HA       ASP  16  -5.114  -5.410  -6.562
  128   1HB   ASP  16          2HB       ASP  16  -7.926  -6.001  -7.451
  129   2HB   ASP  16          1HB       ASP  16  -6.458  -5.929  -8.420
  130    H    CYS  17           H        CYS  17  -5.343  -3.402  -7.599
  131    HA   CYS  17           HA       CYS  17  -6.942  -1.499  -6.105
  132   1HB   CYS  17          2HB       CYS  17  -4.868  -1.095  -8.267
  133   2HB   CYS  17          1HB       CYS  17  -5.643   0.186  -7.353
  134    H    CYS  18           H        CYS  18  -8.045   0.269  -7.349
  135    HA   CYS  18           HA       CYS  18 -10.037  -0.809  -8.992
  136   1HB   CYS  18          2HB       CYS  18  -9.448   2.096  -9.200
  137   2HB   CYS  18          1HB       CYS  18 -10.985   1.265  -8.979
  138    H    GLU  19           H        GLU  19  -8.426   2.002 -10.263
  139    HA   GLU  19           HA       GLU  19  -6.786   0.995 -12.205
  140   1HB   GLU  19          2HB       GLU  19  -9.419   0.182 -12.742
  141   2HB   GLU  19          1HB       GLU  19  -9.093   1.486 -13.875
  142   1HG   GLU  19          2HG       GLU  19  -7.820   0.180 -15.129
  143   2HG   GLU  19          1HG       GLU  19  -6.864  -0.330 -13.738
  144    HA   PRO  20           HA       PRO  20  -6.126   1.416 -14.125
  145   1HB   PRO  20          2HB       PRO  20  -4.170   2.774 -15.327
  146   2HB   PRO  20          1HB       PRO  20  -5.830   2.845 -15.931
  147   1HG   PRO  20          2HG       PRO  20  -4.311   4.845 -14.319
  148   2HG   PRO  20          1HG       PRO  20  -5.475   5.109 -15.628
  149   1HD   PRO  20          2HD       PRO  20  -6.027   5.275 -12.894
  150   2HD   PRO  20          1HD       PRO  20  -7.232   5.122 -14.186
  151    H    LEU  21           H        LEU  21  -5.763   1.958 -11.347
  152    HA   LEU  21           HA       LEU  21  -2.899   2.175 -10.911
  153   1HB   LEU  21          2HB       LEU  21  -5.049   1.612  -8.874
  154   2HB   LEU  21          1HB       LEU  21  -3.414   2.170  -8.567
  155    HG   LEU  21           HG       LEU  21  -5.385   3.819 -10.133
  156   1HD1  LEU  21          1HD1      LEU  21  -4.866   4.426  -7.282
  157   2HD1  LEU  21          2HD1      LEU  21  -5.975   3.104  -7.641
  158   3HD1  LEU  21          3HD1      LEU  21  -6.300   4.721  -8.264
  159   1HD2  LEU  21          1HD2      LEU  21  -3.240   4.658 -10.465
  160   2HD2  LEU  21          2HD2      LEU  21  -2.737   4.295  -8.815
  161   3HD2  LEU  21          3HD2      LEU  21  -3.852   5.626  -9.123
  162    H    GLU  22           H        GLU  22  -1.887   0.566  -9.372
  163    HA   GLU  22           HA       GLU  22  -2.856  -2.162  -9.889
  164   1HB   GLU  22          2HB       GLU  22  -0.814  -1.251 -11.302
  165   2HB   GLU  22          1HB       GLU  22   0.084  -1.637  -9.840
  166   1HG   GLU  22          2HG       GLU  22   0.300  -3.574 -11.043
  167   2HG   GLU  22          1HG       GLU  22  -1.101  -3.940 -10.038
  168    H    CYS  23           H        CYS  23  -3.189  -3.203  -8.061
  169    HA   CYS  23           HA       CYS  23  -2.355  -2.212  -5.539
  170   1HB   CYS  23          2HB       CYS  23  -4.382  -3.412  -5.557
  171   2HB   CYS  23          1HB       CYS  23  -3.679  -4.757  -6.448
  172    H    LYS  24           H        LYS  24  -0.015  -2.096  -6.041
  173    HA   LYS  24           HA       LYS  24   1.308  -4.477  -5.034
  174   1HB   LYS  24          2HB       LYS  24   3.071  -4.134  -6.941
  175   2HB   LYS  24          1HB       LYS  24   1.630  -5.100  -7.230
  176   1HG   LYS  24          2HG       LYS  24   1.459  -3.832  -9.069
  177   2HG   LYS  24          1HG       LYS  24   0.736  -2.662  -7.963
  178   1HD   LYS  24          2HD       LYS  24   2.661  -1.918  -9.547
  179   2HD   LYS  24          1HD       LYS  24   2.649  -1.369  -7.870
  180   1HE   LYS  24          2HE       LYS  24   4.191  -3.194  -7.284
  181   2HE   LYS  24          1HE       LYS  24   4.224  -3.693  -8.973
  182   1HZ   LYS  24          1HZ       LYS  24   5.905  -1.899  -7.790
  183   2HZ   LYS  24          2HZ       LYS  24   4.831  -0.920  -8.654
  184   3HZ   LYS  24          3HZ       LYS  24   5.703  -2.126  -9.455
  185    H    LYS  25           H        LYS  25   3.917  -3.789  -5.434
  186    HA   LYS  25           HA       LYS  25   4.456  -1.974  -3.397
  187   1HB   LYS  25          2HB       LYS  25   5.990  -3.731  -4.468
  188   2HB   LYS  25          1HB       LYS  25   6.355  -2.503  -5.672
  189   1HG   LYS  25          2HG       LYS  25   7.091  -1.004  -3.827
  190   2HG   LYS  25          1HG       LYS  25   6.869  -2.353  -2.711
  191   1HD   LYS  25          2HD       LYS  25   8.417  -3.634  -4.353
  192   2HD   LYS  25          1HD       LYS  25   8.875  -2.022  -4.909
  193   1HE   LYS  25          2HE       LYS  25   9.714  -1.420  -2.791
  194   2HE   LYS  25          1HE       LYS  25   8.937  -2.793  -2.005
  195   1HZ   LYS  25          1HZ       LYS  25  11.462  -2.850  -2.550
  196   2HZ   LYS  25          2HZ       LYS  25  10.938  -3.287  -4.098
  197   3HZ   LYS  25          3HZ       LYS  25  10.523  -4.240  -2.764
  198    H    VAL  26           H        VAL  26   4.418   0.150  -3.264
  199    HA   VAL  26           HA       VAL  26   3.973   1.737  -5.659
  200    HB   VAL  26           HB       VAL  26   4.228   3.184  -3.136
  201   1HG1  VAL  26          1HG1      VAL  26   2.463   4.397  -3.948
  202   2HG1  VAL  26          2HG1      VAL  26   1.715   2.999  -4.719
  203   3HG1  VAL  26          3HG1      VAL  26   3.126   3.763  -5.455
  204   1HG2  VAL  26          1HG2      VAL  26   1.836   1.405  -3.269
  205   2HG2  VAL  26          2HG2      VAL  26   2.536   2.244  -1.885
  206   3HG2  VAL  26          3HG2      VAL  26   3.332   0.815  -2.545
  207    H    ASN  27           H        ASN  27   6.453   1.010  -3.364
  208    HA   ASN  27           HA       ASN  27   8.288   2.772  -4.810
  209   1HB   ASN  27          2HB       ASN  27   9.103   2.840  -2.122
  210   2HB   ASN  27          1HB       ASN  27   8.475   4.170  -3.087
  211   1HD2  ASN  27          1HD2      ASN  27   6.019   4.148  -3.273
  212   2HD2  ASN  27          2HD2      ASN  27   5.152   3.857  -1.808
  213    H    TRP  28           H        TRP  28   9.906   1.907  -2.172
  214    HA   TRP  28           HA       TRP  28  10.911  -0.567  -3.392
  215   1HB   TRP  28          2HB       TRP  28  13.069   0.027  -2.829
  216   2HB   TRP  28          1HB       TRP  28  12.364   1.617  -3.117
  217    HD1  TRP  28           HD1      TRP  28  10.788   1.563  -0.192
  218    HE1  TRP  28           HE1      TRP  28  12.186   2.130   1.893
  219    HE3  TRP  28           HE3      TRP  28  15.459   0.681  -2.082
  220    HZ2  TRP  28           HZ2      TRP  28  14.909   2.198   2.636
  221    HZ3  TRP  28           HZ3      TRP  28  17.406   1.021  -0.617
  222    HH2  TRP  28           HH2      TRP  28  17.136   1.765   1.693
  223    H    TRP  29           H        TRP  29   9.231   0.626  -0.747
  224    HA   TRP  29           HA       TRP  29   9.694  -1.868   0.710
  225   1HB   TRP  29          2HB       TRP  29  10.499  -0.928   2.601
  226   2HB   TRP  29          1HB       TRP  29  10.968   0.386   1.527
  227    HD1  TRP  29           HD1      TRP  29   8.008  -0.558   3.839
  228    HE1  TRP  29           HE1      TRP  29   7.018   1.617   4.793
  229    HE3  TRP  29           HE3      TRP  29  10.892   2.822   1.310
  230    HZ2  TRP  29           HZ2      TRP  29   7.407   4.397   4.511
  231    HZ3  TRP  29           HZ3      TRP  29  10.518   5.222   1.709
  232    HH2  TRP  29           HH2      TRP  29   8.811   5.990   3.277
  233    H    ASP  30           H        ASP  30   7.723   1.013   0.234
  234    HA   ASP  30           HA       ASP  30   5.531  -0.132   1.760
  235   1HB   ASP  30          2HB       ASP  30   6.356   2.468   1.285
  236   2HB   ASP  30          1HB       ASP  30   4.928   2.299   0.269
  237    H    HIS  31           H        HIS  31   3.840  -1.151   0.923
  238    HA   HIS  31           HA       HIS  31   3.601  -1.272  -2.002
  239   1HB   HIS  31          2HB       HIS  31   3.193  -3.253   0.177
  240   2HB   HIS  31          1HB       HIS  31   2.123  -3.358  -1.214
  241    HD1  HIS  31           HD1      HIS  31   5.887  -2.957  -0.750
  242    HD2  HIS  31           HD2      HIS  31   3.134  -5.069  -3.036
  243    HE1  HIS  31           HE1      HIS  31   7.256  -4.422  -2.266
  244    HE2  HIS  31           HE2      HIS  31   5.572  -5.623  -3.703
  245    H    LYS  32           H        LYS  32   1.971  -0.170  -2.845
  246    HA   LYS  32           HA       LYS  32  -0.617  -0.121  -1.493
  247   1HB   LYS  32          2HB       LYS  32   0.654   2.406  -2.545
  248   2HB   LYS  32          1HB       LYS  32  -0.866   2.256  -1.677
  249   1HG   LYS  32          2HG       LYS  32   0.414   1.486   0.310
  250   2HG   LYS  32          1HG       LYS  32   1.902   1.832  -0.576
  251   1HD   LYS  32          2HD       LYS  32   0.776   4.181  -0.915
  252   2HD   LYS  32          1HD       LYS  32  -0.146   3.709   0.516
  253   1HE   LYS  32          2HE       LYS  32   1.566   4.252   1.819
  254   2HE   LYS  32          1HE       LYS  32   2.597   3.102   0.968
  255   1HZ   LYS  32          1HZ       LYS  32   2.624   5.087  -0.767
  256   2HZ   LYS  32          2HZ       LYS  32   3.730   4.985   0.508
  257   3HZ   LYS  32          3HZ       LYS  32   2.376   5.988   0.644
  258    H    CYS  33           H        CYS  33  -1.380   2.061  -3.384
  259    HA   CYS  33           HA       CYS  33  -1.833   0.351  -5.719
  260   1HB   CYS  33          2HB       CYS  33  -3.320   2.596  -4.428
  261   2HB   CYS  33          1HB       CYS  33  -3.573   2.274  -6.136
  262    H    ILE  34           H        ILE  34  -0.796   0.791  -7.563
  263    HA   ILE  34           HA       ILE  34   0.285   3.503  -7.946
  264    HB   ILE  34           HB       ILE  34   1.886   2.078  -9.536
  265   1HG1  ILE  34          2HG1      ILE  34   0.708  -0.040  -8.792
  266   2HG1  ILE  34          1HG1      ILE  34   2.463  -0.050  -8.644
  267   1HG2  ILE  34          1HG2      ILE  34   3.282   3.147  -8.181
  268   2HG2  ILE  34          2HG2      ILE  34   3.109   1.825  -7.028
  269   3HG2  ILE  34          3HG2      ILE  34   2.054   3.234  -6.919
  270   1HD1  ILE  34          1HD1      ILE  34   2.008  -0.867  -6.608
  271   2HD1  ILE  34          2HD1      ILE  34   0.387  -0.172  -6.573
  272   3HD1  ILE  34          3HD1      ILE  34   1.786   0.835  -6.197
  273    H    GLY  35           HN       GLY  35   1.212   2.271 -10.631
  274   1HA   GLY  35          2HA       GLY  35  -1.373   2.620 -12.015
  275   2HA   GLY  35          1HA       GLY  35   0.139   3.266 -12.632
  Start of MODEL    7
    1    HN   PCA   1           HN       PCA   1 -14.740  -9.217  -5.044
    2    HA   PCA   1           HA       PCA   1 -14.248  -8.144  -2.854
    3   1HB   PCA   1          1HB       PCA   1 -11.510  -7.428  -3.151
    4   2HB   PCA   1          2HB       PCA   1 -12.131  -8.807  -2.199
    5   1HG   PCA   1          1HG       PCA   1 -10.718  -8.860  -4.779
    6   2HG   PCA   1          2HG       PCA   1 -11.216 -10.243  -3.757
    7    H    GLN   2           H        GLN   2 -12.940  -5.842  -2.553
    8    HA   GLN   2           HA       GLN   2 -14.094  -4.165  -4.649
    9   1HB   GLN   2          2HB       GLN   2 -13.178  -2.479  -2.655
   10   2HB   GLN   2          1HB       GLN   2 -14.828  -3.055  -2.849
   11   1HG   GLN   2          2HG       GLN   2 -13.385  -5.072  -1.497
   12   2HG   GLN   2          1HG       GLN   2 -13.002  -3.534  -0.725
   13   1HE2  GLN   2          1HE2      GLN   2 -15.495  -5.833  -1.465
   14   2HE2  GLN   2          2HE2      GLN   2 -16.689  -5.193  -0.394
   15    H    CYS   3           H        CYS   3 -12.928  -2.315  -5.454
   16    HA   CYS   3           HA       CYS   3 -10.321  -2.935  -6.322
   17   1HB   CYS   3          2HB       CYS   3 -10.419  -0.987  -7.559
   18   2HB   CYS   3          1HB       CYS   3 -12.133  -1.282  -7.304
   19    H    VAL   4           H        VAL   4  -9.114  -0.360  -6.103
   20    HA   VAL   4           HA       VAL   4  -8.681   0.199  -3.305
   21    HB   VAL   4           HB       VAL   4  -6.322  -0.714  -4.945
   22   1HG1  VAL   4          1HG1      VAL   4  -5.751   0.892  -3.240
   23   2HG1  VAL   4          2HG1      VAL   4  -5.183  -0.704  -2.750
   24   3HG1  VAL   4          3HG1      VAL   4  -6.642  -0.027  -2.028
   25   1HG2  VAL   4          1HG2      VAL   4  -8.252  -2.379  -3.930
   26   2HG2  VAL   4          2HG2      VAL   4  -7.049  -2.347  -2.642
   27   3HG2  VAL   4          3HG2      VAL   4  -6.583  -2.832  -4.272
   28    H    LYS   5           H        LYS   5  -8.323   2.304  -3.102
   29    HA   LYS   5           HA       LYS   5  -8.043   3.935  -5.437
   30   1HB   LYS   5          2HB       LYS   5  -9.110   4.288  -2.891
   31   2HB   LYS   5          1HB       LYS   5  -7.716   5.354  -2.944
   32   1HG   LYS   5          2HG       LYS   5  -9.812   6.453  -3.633
   33   2HG   LYS   5          1HG       LYS   5  -8.567   6.478  -4.883
   34   1HD   LYS   5          2HD       LYS   5 -10.857   5.929  -5.718
   35   2HD   LYS   5          1HD       LYS   5  -9.639   4.703  -6.080
   36   1HE   LYS   5          2HE       LYS   5 -11.755   3.717  -5.308
   37   2HE   LYS   5          1HE       LYS   5 -10.412   3.347  -4.228
   38   1HZ   LYS   5          1HZ       LYS   5 -11.706   4.108  -2.609
   39   2HZ   LYS   5          2HZ       LYS   5 -12.831   4.764  -3.688
   40   3HZ   LYS   5          3HZ       LYS   5 -11.471   5.662  -3.236
   41    H    LYS   6           H        LYS   6  -6.373   5.383  -5.916
   42    HA   LYS   6           HA       LYS   6  -3.765   4.448  -5.512
   43   1HB   LYS   6          2HB       LYS   6  -4.248   5.795  -7.432
   44   2HB   LYS   6          1HB       LYS   6  -4.813   7.126  -6.431
   45   1HG   LYS   6          2HG       LYS   6  -1.979   6.118  -6.480
   46   2HG   LYS   6          1HG       LYS   6  -2.574   7.491  -7.416
   47   1HD   LYS   6          2HD       LYS   6  -3.407   7.935  -4.773
   48   2HD   LYS   6          1HD       LYS   6  -1.733   7.385  -4.669
   49   1HE   LYS   6          2HE       LYS   6  -1.213   9.526  -5.078
   50   2HE   LYS   6          1HE       LYS   6  -1.617   9.141  -6.751
   51   1HZ   LYS   6          1HZ       LYS   6  -3.240  10.622  -6.655
   52   2HZ   LYS   6          2HZ       LYS   6  -2.866  10.975  -5.043
   53   3HZ   LYS   6          3HZ       LYS   6  -3.987   9.761  -5.403
   54    H    ASP   7           H        ASP   7  -2.133   5.041  -4.143
   55    HA   ASP   7           HA       ASP   7  -1.065   6.291  -2.486
   56   1HB   ASP   7          2HB       ASP   7  -2.802   8.128  -2.985
   57   2HB   ASP   7          1HB       ASP   7  -3.723   7.436  -1.652
   58    H    GLU   8           H        GLU   8  -3.804   4.289  -2.280
   59    HA   GLU   8           HA       GLU   8  -3.512   3.796   0.572
   60   1HB   GLU   8          2HB       GLU   8  -5.461   2.970  -1.535
   61   2HB   GLU   8          1HB       GLU   8  -5.308   1.972  -0.094
   62   1HG   GLU   8          2HG       GLU   8  -5.493   4.682   0.724
   63   2HG   GLU   8          1HG       GLU   8  -6.773   4.367  -0.445
   64    H    LEU   9           H        LEU   9  -2.749   1.907   1.472
   65    HA   LEU   9           HA       LEU   9  -0.690   0.571   0.163
   66   1HB   LEU   9          2HB       LEU   9  -2.306  -0.087   2.608
   67   2HB   LEU   9          1HB       LEU   9  -0.976  -1.094   2.074
   68    HG   LEU   9           HG       LEU   9  -0.752   0.951   3.843
   69   1HD1  LEU   9          1HD1      LEU   9   1.229  -0.030   3.976
   70   2HD1  LEU   9          2HD1      LEU   9   1.726   0.767   2.484
   71   3HD1  LEU   9          3HD1      LEU   9   0.953  -0.817   2.421
   72   1HD2  LEU   9          1HD2      LEU   9   0.432   2.101   1.349
   73   2HD2  LEU   9          2HD2      LEU   9   0.098   2.886   2.892
   74   3HD2  LEU   9          3HD2      LEU   9  -1.230   2.472   1.807
   75    H    CYS  10           H        CYS  10  -0.722  -2.001   0.240
   76    HA   CYS  10           HA       CYS  10  -3.019  -3.430  -0.405
   77   1HB   CYS  10          2HB       CYS  10  -2.696  -1.711  -2.408
   78   2HB   CYS  10          1HB       CYS  10  -1.560  -2.939  -2.957
   79    H    ILE  11           H        ILE  11  -2.305  -5.389  -1.984
   80    HA   ILE  11           HA       ILE  11   0.435  -6.163  -1.340
   81    HB   ILE  11           HB       ILE  11  -1.626  -8.257  -0.993
   82   1HG1  ILE  11          2HG1      ILE  11  -1.129  -6.913   1.527
   83   2HG1  ILE  11          1HG1      ILE  11  -1.915  -5.835   0.378
   84   1HG2  ILE  11          1HG2      ILE  11   0.561  -7.834   0.940
   85   2HG2  ILE  11          2HG2      ILE  11   1.046  -8.204  -0.715
   86   3HG2  ILE  11          3HG2      ILE  11  -0.001  -9.317   0.167
   87   1HD1  ILE  11          1HD1      ILE  11  -3.352  -7.287   1.956
   88   2HD1  ILE  11          2HD1      ILE  11  -2.982  -8.586   0.823
   89   3HD1  ILE  11          3HD1      ILE  11  -3.815  -7.136   0.261
   90    HA   PRO  12           HA       PRO  12   0.052  -7.333  -5.646
   91   1HB   PRO  12          2HB       PRO  12   2.777  -8.371  -5.264
   92   2HB   PRO  12          1HB       PRO  12   2.204  -7.105  -6.352
   93   1HG   PRO  12          2HG       PRO  12   3.701  -6.549  -4.187
   94   2HG   PRO  12          1HG       PRO  12   2.437  -5.449  -4.766
   95   1HD   PRO  12          2HD       PRO  12   2.368  -7.383  -2.481
   96   2HD   PRO  12          1HD       PRO  12   1.718  -5.732  -2.581
   97    H    TYR  13           H        TYR  13  -0.662  -9.126  -3.307
   98    HA   TYR  13           HA       TYR  13  -0.821 -11.560  -4.797
   99   1HB   TYR  13          2HB       TYR  13   0.386 -12.406  -2.352
  100   2HB   TYR  13          1HB       TYR  13   0.940 -12.682  -4.000
  101    HD1  TYR  13           HD1      TYR  13   2.990 -11.812  -4.653
  102    HD2  TYR  13           HD2      TYR  13   0.972 -10.064  -1.340
  103    HE1  TYR  13           HE1      TYR  13   4.937 -10.369  -4.236
  104    HE2  TYR  13           HE2      TYR  13   2.914  -8.615  -0.915
  105    HH   TYR  13           HH       TYR  13   4.839  -7.683  -2.236
  106    H    TYR  14           H        TYR  14  -2.526  -9.620  -3.370
  107    HA   TYR  14           HA       TYR  14  -4.128 -11.563  -1.946
  108   1HB   TYR  14          2HB       TYR  14  -2.502  -9.581  -0.562
  109   2HB   TYR  14          1HB       TYR  14  -4.208  -9.457  -0.147
  110    HD1  TYR  14           HD1      TYR  14  -1.421 -10.609   1.201
  111    HD2  TYR  14           HD2      TYR  14  -5.129 -12.202  -0.144
  112    HE1  TYR  14           HE1      TYR  14  -1.168 -12.497   2.757
  113    HE2  TYR  14           HE2      TYR  14  -4.887 -14.094   1.408
  114    HH   TYR  14           HH       TYR  14  -2.035 -14.393   3.510
  115    H    LEU  15           H        LEU  15  -3.780  -8.078  -2.636
  116    HA   LEU  15           HA       LEU  15  -6.623  -8.070  -3.402
  117   1HB   LEU  15          2HB       LEU  15  -5.494  -5.515  -2.501
  118   2HB   LEU  15          1HB       LEU  15  -7.072  -6.219  -2.203
  119    HG   LEU  15           HG       LEU  15  -4.565  -7.103  -0.785
  120   1HD1  LEU  15          1HD1      LEU  15  -4.682  -5.262   0.441
  121   2HD1  LEU  15          2HD1      LEU  15  -6.296  -5.746   0.962
  122   3HD1  LEU  15          3HD1      LEU  15  -6.100  -4.715  -0.454
  123   1HD2  LEU  15          1HD2      LEU  15  -7.281  -7.457   0.331
  124   2HD2  LEU  15          2HD2      LEU  15  -5.866  -8.504   0.431
  125   3HD2  LEU  15          3HD2      LEU  15  -6.842  -8.477  -1.037
  126    H    ASP  16           H        ASP  16  -7.151  -6.074  -4.756
  127    HA   ASP  16           HA       ASP  16  -4.955  -5.403  -6.588
  128   1HB   ASP  16          2HB       ASP  16  -6.487  -5.675  -8.511
  129   2HB   ASP  16          1HB       ASP  16  -6.225  -7.193  -7.657
  130    H    CYS  17           H        CYS  17  -5.308  -3.417  -7.792
  131    HA   CYS  17           HA       CYS  17  -6.809  -1.500  -6.221
  132   1HB   CYS  17          2HB       CYS  17  -4.997  -1.043  -8.595
  133   2HB   CYS  17          1HB       CYS  17  -5.609   0.178  -7.496
  134    H    CYS  18           H        CYS  18  -7.883   0.318  -7.551
  135    HA   CYS  18           HA       CYS  18 -10.039  -0.847  -8.975
  136   1HB   CYS  18          2HB       CYS  18  -9.525   2.073  -9.192
  137   2HB   CYS  18          1HB       CYS  18 -11.025   1.209  -8.876
  138    H    GLU  19           H        GLU  19  -8.620   2.017 -10.347
  139    HA   GLU  19           HA       GLU  19  -7.159   0.945 -12.455
  140   1HB   GLU  19          2HB       GLU  19  -9.782   0.250 -12.789
  141   2HB   GLU  19          1HB       GLU  19  -9.697   1.747 -13.709
  142   1HG   GLU  19          2HG       GLU  19  -7.426   0.233 -14.402
  143   2HG   GLU  19          1HG       GLU  19  -8.805  -0.864 -14.426
  144    HA   PRO  20           HA       PRO  20  -6.374   1.384 -14.151
  145   1HB   PRO  20          2HB       PRO  20  -4.382   2.648 -15.390
  146   2HB   PRO  20          1HB       PRO  20  -6.048   2.801 -15.964
  147   1HG   PRO  20          2HG       PRO  20  -4.388   4.737 -14.428
  148   2HG   PRO  20          1HG       PRO  20  -5.621   5.043 -15.661
  149   1HD   PRO  20          2HD       PRO  20  -5.966   5.171 -12.861
  150   2HD   PRO  20          1HD       PRO  20  -7.246   5.208 -14.088
  151    H    LEU  21           H        LEU  21  -5.892   2.245 -11.351
  152    HA   LEU  21           HA       LEU  21  -3.061   2.302 -10.935
  153   1HB   LEU  21          2HB       LEU  21  -5.185   1.642  -8.904
  154   2HB   LEU  21          1HB       LEU  21  -3.566   2.241  -8.597
  155    HG   LEU  21           HG       LEU  21  -5.610   3.861 -10.099
  156   1HD1  LEU  21          1HD1      LEU  21  -6.368   4.846  -8.138
  157   2HD1  LEU  21          2HD1      LEU  21  -5.015   4.229  -7.188
  158   3HD1  LEU  21          3HD1      LEU  21  -6.291   3.134  -7.722
  159   1HD2  LEU  21          1HD2      LEU  21  -4.183   5.676  -9.729
  160   2HD2  LEU  21          2HD2      LEU  21  -3.102   4.356 -10.171
  161   3HD2  LEU  21          3HD2      LEU  21  -3.276   4.825  -8.480
  162    H    GLU  22           H        GLU  22  -2.025   0.677  -9.435
  163    HA   GLU  22           HA       GLU  22  -2.955  -2.054  -9.997
  164   1HB   GLU  22          2HB       GLU  22  -0.741  -0.892 -11.204
  165   2HB   GLU  22          1HB       GLU  22  -0.051  -1.828  -9.886
  166   1HG   GLU  22          2HG       GLU  22  -0.211  -3.039 -12.054
  167   2HG   GLU  22          1HG       GLU  22  -1.009  -3.842 -10.702
  168    H    CYS  23           H        CYS  23  -2.774  -3.474  -8.348
  169    HA   CYS  23           HA       CYS  23  -2.172  -2.412  -5.735
  170   1HB   CYS  23          2HB       CYS  23  -4.103  -3.841  -5.965
  171   2HB   CYS  23          1HB       CYS  23  -3.126  -5.125  -6.667
  172    H    LYS  24           H        LYS  24   0.132  -2.042  -6.155
  173    HA   LYS  24           HA       LYS  24   1.682  -4.355  -5.338
  174   1HB   LYS  24          2HB       LYS  24   3.400  -3.884  -7.145
  175   2HB   LYS  24          1HB       LYS  24   1.916  -4.670  -7.665
  176   1HG   LYS  24          2HG       LYS  24   2.248  -3.080  -9.300
  177   2HG   LYS  24          1HG       LYS  24   1.115  -2.277  -8.212
  178   1HD   LYS  24          2HD       LYS  24   2.556  -0.613  -7.925
  179   2HD   LYS  24          1HD       LYS  24   3.754  -1.747  -7.297
  180   1HE   LYS  24          2HE       LYS  24   4.418  -0.337  -9.320
  181   2HE   LYS  24          1HE       LYS  24   4.717  -2.073  -9.405
  182   1HZ   LYS  24          1HZ       LYS  24   2.263  -0.842 -10.509
  183   2HZ   LYS  24          2HZ       LYS  24   2.896  -2.377 -10.827
  184   3HZ   LYS  24          3HZ       LYS  24   3.678  -1.003 -11.423
  185    H    LYS  25           H        LYS  25   4.195  -3.458  -5.534
  186    HA   LYS  25           HA       LYS  25   4.431  -1.630  -3.414
  187   1HB   LYS  25          2HB       LYS  25   6.102  -3.405  -4.389
  188   2HB   LYS  25          1HB       LYS  25   6.662  -2.051  -5.360
  189   1HG   LYS  25          2HG       LYS  25   6.828  -0.810  -3.094
  190   2HG   LYS  25          1HG       LYS  25   6.787  -2.432  -2.401
  191   1HD   LYS  25          2HD       LYS  25   8.782  -1.362  -4.394
  192   2HD   LYS  25          1HD       LYS  25   9.082  -1.756  -2.701
  193   1HE   LYS  25          2HE       LYS  25   8.696  -4.090  -3.118
  194   2HE   LYS  25          1HE       LYS  25   8.184  -3.754  -4.772
  195   1HZ   LYS  25          1HZ       LYS  25  10.907  -3.236  -3.707
  196   2HZ   LYS  25          2HZ       LYS  25  10.402  -3.038  -5.308
  197   3HZ   LYS  25          3HZ       LYS  25  10.473  -4.586  -4.630
  198    H    VAL  26           H        VAL  26   4.531   0.510  -3.320
  199    HA   VAL  26           HA       VAL  26   4.240   2.040  -5.775
  200    HB   VAL  26           HB       VAL  26   4.406   3.408  -3.147
  201   1HG1  VAL  26          1HG1      VAL  26   2.784   4.835  -4.071
  202   2HG1  VAL  26          2HG1      VAL  26   2.314   3.648  -5.287
  203   3HG1  VAL  26          3HG1      VAL  26   3.878   4.455  -5.402
  204   1HG2  VAL  26          1HG2      VAL  26   2.180   2.773  -2.470
  205   2HG2  VAL  26          2HG2      VAL  26   3.171   1.324  -2.636
  206   3HG2  VAL  26          3HG2      VAL  26   2.005   1.743  -3.890
  207    H    ASN  27           H        ASN  27   6.604   1.200  -3.453
  208    HA   ASN  27           HA       ASN  27   8.567   2.912  -4.786
  209   1HB   ASN  27          2HB       ASN  27   9.127   2.680  -1.967
  210   2HB   ASN  27          1HB       ASN  27   9.062   4.118  -2.973
  211   1HD2  ASN  27          1HD2      ASN  27   8.213   4.164  -0.368
  212   2HD2  ASN  27          2HD2      ASN  27   6.499   4.371  -0.322
  213    H    TRP  28           H        TRP  28   9.556   1.476  -1.893
  214    HA   TRP  28           HA       TRP  28  10.514  -0.939  -3.246
  215   1HB   TRP  28          2HB       TRP  28  12.717  -0.543  -2.828
  216   2HB   TRP  28          1HB       TRP  28  12.193   1.139  -2.853
  217    HD1  TRP  28           HD1      TRP  28  10.989   1.516  -0.031
  218    HE1  TRP  28           HE1      TRP  28  12.456   1.371   2.079
  219    HE3  TRP  28           HE3      TRP  28  14.882  -1.198  -1.932
  220    HZ2  TRP  28           HZ2      TRP  28  14.935   0.254   2.837
  221    HZ3  TRP  28           HZ3      TRP  28  16.761  -1.762  -0.449
  222    HH2  TRP  28           HH2      TRP  28  16.786  -1.050   1.886
  223    H    TRP  29           H        TRP  29   9.415   0.678  -0.408
  224    HA   TRP  29           HA       TRP  29   9.403  -1.891   1.035
  225   1HB   TRP  29          2HB       TRP  29  10.152  -0.934   2.975
  226   2HB   TRP  29          1HB       TRP  29  10.949   0.135   1.825
  227    HD1  TRP  29           HD1      TRP  29   7.846   0.046   4.121
  228    HE1  TRP  29           HE1      TRP  29   7.206   2.470   4.702
  229    HE3  TRP  29           HE3      TRP  29  11.194   2.505   1.142
  230    HZ2  TRP  29           HZ2      TRP  29   8.015   5.079   3.993
  231    HZ3  TRP  29           HZ3      TRP  29  11.196   4.965   1.153
  232    HH2  TRP  29           HH2      TRP  29   9.639   6.224   2.548
  233    H    ASP  30           H        ASP  30   7.739   1.074   0.239
  234    HA   ASP  30           HA       ASP  30   5.403   0.297   1.804
  235   1HB   ASP  30          2HB       ASP  30   6.530   2.758   1.127
  236   2HB   ASP  30          1HB       ASP  30   5.066   2.658   0.156
  237    H    HIS  31           H        HIS  31   4.082  -1.129   0.879
  238    HA   HIS  31           HA       HIS  31   3.756  -1.135  -2.025
  239   1HB   HIS  31          2HB       HIS  31   3.339  -3.114   0.152
  240   2HB   HIS  31          1HB       HIS  31   2.289  -3.234  -1.253
  241    HD1  HIS  31           HD1      HIS  31   5.979  -3.244  -0.389
  242    HD2  HIS  31           HD2      HIS  31   3.402  -4.490  -3.399
  243    HE1  HIS  31           HE1      HIS  31   7.394  -4.598  -1.967
  244    HE2  HIS  31           HE2      HIS  31   5.795  -5.412  -3.736
  245    H    LYS  32           H        LYS  32   2.107  -0.088  -2.913
  246    HA   LYS  32           HA       LYS  32  -0.487  -0.093  -1.587
  247   1HB   LYS  32          2HB       LYS  32   0.517   2.507  -2.690
  248   2HB   LYS  32          1HB       LYS  32  -0.772   2.218  -1.531
  249   1HG   LYS  32          2HG       LYS  32   1.051   1.442   0.064
  250   2HG   LYS  32          1HG       LYS  32   2.192   2.159  -1.076
  251   1HD   LYS  32          2HD       LYS  32  -0.110   3.818  -0.208
  252   2HD   LYS  32          1HD       LYS  32   1.173   3.525   0.968
  253   1HE   LYS  32          2HE       LYS  32   1.917   4.378  -1.787
  254   2HE   LYS  32          1HE       LYS  32   1.263   5.582  -0.677
  255   1HZ   LYS  32          1HZ       LYS  32   3.172   5.656   0.431
  256   2HZ   LYS  32          2HZ       LYS  32   3.865   4.762  -0.825
  257   3HZ   LYS  32          3HZ       LYS  32   3.276   3.972   0.550
  258    H    CYS  33           H        CYS  33  -1.309   2.065  -3.475
  259    HA   CYS  33           HA       CYS  33  -1.570   0.400  -5.876
  260   1HB   CYS  33          2HB       CYS  33  -3.379   2.329  -4.481
  261   2HB   CYS  33          1HB       CYS  33  -3.571   2.062  -6.206
  262    H    ILE  34           H        ILE  34  -0.703   1.115  -7.713
  263    HA   ILE  34           HA       ILE  34   0.116   3.939  -7.868
  264    HB   ILE  34           HB       ILE  34   1.686   2.787  -9.720
  265   1HG1  ILE  34          2HG1      ILE  34   2.455   0.650  -9.104
  266   2HG1  ILE  34          1HG1      ILE  34   1.712   0.746  -7.511
  267   1HG2  ILE  34          1HG2      ILE  34   3.411   2.644  -7.792
  268   2HG2  ILE  34          2HG2      ILE  34   2.098   3.281  -6.801
  269   3HG2  ILE  34          3HG2      ILE  34   2.685   4.203  -8.186
  270   1HD1  ILE  34          1HD1      ILE  34   0.544  -0.024 -10.109
  271   2HD1  ILE  34          2HD1      ILE  34  -0.490   0.872  -8.997
  272   3HD1  ILE  34          3HD1      ILE  34   0.239  -0.651  -8.489
  273    H    GLY  35           HN       GLY  35   0.887   3.798 -10.606
  274   1HA   GLY  35          2HA       GLY  35  -1.652   3.228 -11.978
  275   2HA   GLY  35          1HA       GLY  35  -0.933   4.825 -12.117
  Start of MODEL    8
    1    HN   PCA   1           HN       PCA   1 -15.468  -8.760  -5.754
    2    HA   PCA   1           HA       PCA   1 -14.085  -8.583  -3.504
    3   1HB   PCA   1          1HB       PCA   1 -11.714  -8.210  -5.331
    4   2HB   PCA   1          2HB       PCA   1 -11.808  -9.037  -3.747
    5   1HG   PCA   1          1HG       PCA   1 -11.775 -10.367  -6.207
    6   2HG   PCA   1          2HG       PCA   1 -12.480 -11.052  -4.709
    7    H    GLN   2           H        GLN   2 -13.002  -6.514  -2.914
    8    HA   GLN   2           HA       GLN   2 -14.199  -4.335  -4.432
    9   1HB   GLN   2          2HB       GLN   2 -13.007  -3.177  -2.248
   10   2HB   GLN   2          1HB       GLN   2 -14.676  -3.727  -2.321
   11   1HG   GLN   2          2HG       GLN   2 -13.923  -4.703  -0.382
   12   2HG   GLN   2          1HG       GLN   2 -13.705  -5.999  -1.557
   13   1HE2  GLN   2          1HE2      GLN   2 -11.623  -3.229  -1.519
   14   2HE2  GLN   2          2HE2      GLN   2 -10.220  -4.032  -0.908
   15    H    CYS   3           H        CYS   3 -13.018  -2.457  -5.040
   16    HA   CYS   3           HA       CYS   3 -10.410  -3.044  -6.068
   17   1HB   CYS   3          2HB       CYS   3 -10.631  -1.127  -7.316
   18   2HB   CYS   3          1HB       CYS   3 -12.328  -1.455  -6.997
   19    H    VAL   4           H        VAL   4  -9.286  -0.456  -5.847
   20    HA   VAL   4           HA       VAL   4  -8.886   0.137  -3.049
   21    HB   VAL   4           HB       VAL   4  -6.578  -0.863  -4.717
   22   1HG1  VAL   4          1HG1      VAL   4  -5.911   1.003  -3.323
   23   2HG1  VAL   4          2HG1      VAL   4  -5.233  -0.498  -2.695
   24   3HG1  VAL   4          3HG1      VAL   4  -6.633   0.233  -1.911
   25   1HG2  VAL   4          1HG2      VAL   4  -7.724  -2.767  -3.959
   26   2HG2  VAL   4          2HG2      VAL   4  -8.073  -2.036  -2.393
   27   3HG2  VAL   4          3HG2      VAL   4  -6.427  -2.532  -2.788
   28    H    LYS   5           H        LYS   5  -8.392   2.247  -2.801
   29    HA   LYS   5           HA       LYS   5  -8.357   3.905  -5.124
   30   1HB   LYS   5          2HB       LYS   5  -8.976   4.205  -2.387
   31   2HB   LYS   5          1HB       LYS   5  -7.689   5.342  -2.746
   32   1HG   LYS   5          2HG       LYS   5  -9.543   5.527  -4.856
   33   2HG   LYS   5          1HG       LYS   5 -10.466   5.524  -3.352
   34   1HD   LYS   5          2HD       LYS   5  -9.937   7.664  -3.069
   35   2HD   LYS   5          1HD       LYS   5  -8.242   7.193  -2.920
   36   1HE   LYS   5          2HE       LYS   5  -7.778   8.216  -4.833
   37   2HE   LYS   5          1HE       LYS   5  -8.926   7.177  -5.676
   38   1HZ   LYS   5          1HZ       LYS   5 -10.688   8.770  -4.927
   39   2HZ   LYS   5          2HZ       LYS   5  -9.593   9.394  -6.055
   40   3HZ   LYS   5          3HZ       LYS   5  -9.452   9.810  -4.421
   41    H    LYS   6           H        LYS   6  -6.715   5.267  -5.843
   42    HA   LYS   6           HA       LYS   6  -4.090   4.284  -5.711
   43   1HB   LYS   6          2HB       LYS   6  -4.181   5.553  -7.571
   44   2HB   LYS   6          1HB       LYS   6  -5.461   6.570  -6.924
   45   1HG   LYS   6          2HG       LYS   6  -3.610   7.978  -7.309
   46   2HG   LYS   6          1HG       LYS   6  -3.698   7.737  -5.562
   47   1HD   LYS   6          2HD       LYS   6  -1.507   7.261  -5.747
   48   2HD   LYS   6          1HD       LYS   6  -2.077   5.685  -6.299
   49   1HE   LYS   6          2HE       LYS   6  -2.125   7.357  -8.550
   50   2HE   LYS   6          1HE       LYS   6  -0.604   7.699  -7.728
   51   1HZ   LYS   6          1HZ       LYS   6  -1.342   4.895  -8.054
   52   2HZ   LYS   6          2HZ       LYS   6   0.181   5.626  -8.121
   53   3HZ   LYS   6          3HZ       LYS   6  -0.864   5.728  -9.447
   54    H    ASP   7           H        ASP   7  -2.256   5.004  -4.641
   55    HA   ASP   7           HA       ASP   7  -0.998   6.145  -3.082
   56   1HB   ASP   7          2HB       ASP   7  -2.233   8.202  -3.486
   57   2HB   ASP   7          1HB       ASP   7  -3.582   7.618  -2.515
   58    H    GLU   8           H        GLU   8  -3.720   4.273  -2.636
   59    HA   GLU   8           HA       GLU   8  -3.424   4.000   0.247
   60   1HB   GLU   8          2HB       GLU   8  -5.358   2.927  -1.783
   61   2HB   GLU   8          1HB       GLU   8  -5.253   2.198  -0.187
   62   1HG   GLU   8          2HG       GLU   8  -5.426   4.911   0.325
   63   2HG   GLU   8          1HG       GLU   8  -6.530   4.652  -1.024
   64    H    LEU   9           H        LEU   9  -2.858   2.026   1.262
   65    HA   LEU   9           HA       LEU   9  -0.743   0.643   0.030
   66   1HB   LEU   9          2HB       LEU   9  -2.354   0.125   2.516
   67   2HB   LEU   9          1HB       LEU   9  -1.000  -0.882   2.041
   68    HG   LEU   9           HG       LEU   9  -0.835   1.287   3.678
   69   1HD1  LEU   9          1HD1      LEU   9   1.501   0.998   3.567
   70   2HD1  LEU   9          2HD1      LEU   9   1.425   0.410   1.906
   71   3HD1  LEU   9          3HD1      LEU   9   0.801  -0.584   3.223
   72   1HD2  LEU   9          1HD2      LEU   9   0.555   2.906   2.247
   73   2HD2  LEU   9          2HD2      LEU   9  -1.203   2.992   2.133
   74   3HD2  LEU   9          3HD2      LEU   9  -0.277   2.178   0.873
   75    H    CYS  10           H        CYS  10  -0.793  -1.913   0.252
   76    HA   CYS  10           HA       CYS  10  -3.085  -3.387  -0.279
   77   1HB   CYS  10          2HB       CYS  10  -2.941  -1.794  -2.348
   78   2HB   CYS  10          1HB       CYS  10  -1.661  -2.883  -2.870
   79    H    ILE  11           H        ILE  11  -2.230  -5.307  -2.026
   80    HA   ILE  11           HA       ILE  11   0.487  -6.017  -1.286
   81    HB   ILE  11           HB       ILE  11  -1.564  -8.126  -0.871
   82   1HG1  ILE  11          2HG1      ILE  11  -0.812  -6.266   1.374
   83   2HG1  ILE  11          1HG1      ILE  11  -2.233  -5.969   0.376
   84   1HG2  ILE  11          1HG2      ILE  11   0.792  -8.699  -0.801
   85   2HG2  ILE  11          2HG2      ILE  11   0.080  -8.878   0.803
   86   3HG2  ILE  11          3HG2      ILE  11   1.076  -7.470   0.432
   87   1HD1  ILE  11          1HD1      ILE  11  -1.757  -8.519   1.894
   88   2HD1  ILE  11          2HD1      ILE  11  -3.233  -8.016   1.070
   89   3HD1  ILE  11          3HD1      ILE  11  -2.689  -7.154   2.510
   90    HA   PRO  12           HA       PRO  12   0.124  -7.254  -5.581
   91   1HB   PRO  12          2HB       PRO  12   2.711  -8.112  -5.805
   92   2HB   PRO  12          1HB       PRO  12   2.230  -6.416  -5.917
   93   1HG   PRO  12          2HG       PRO  12   3.359  -7.914  -3.586
   94   2HG   PRO  12          1HG       PRO  12   3.747  -6.283  -4.162
   95   1HD   PRO  12          2HD       PRO  12   2.124  -6.705  -2.051
   96   2HD   PRO  12          1HD       PRO  12   1.874  -5.353  -3.175
   97    H    TYR  13           H        TYR  13  -0.436  -9.032  -3.164
   98    HA   TYR  13           HA       TYR  13  -0.574 -11.488  -4.607
   99   1HB   TYR  13          2HB       TYR  13   1.334 -11.319  -2.266
  100   2HB   TYR  13          1HB       TYR  13   0.778 -12.824  -2.990
  101    HD1  TYR  13           HD1      TYR  13   2.965  -9.927  -3.377
  102    HD2  TYR  13           HD2      TYR  13   1.537 -13.486  -5.218
  103    HE1  TYR  13           HE1      TYR  13   4.803  -9.814  -5.008
  104    HE2  TYR  13           HE2      TYR  13   3.371 -13.384  -6.853
  105    HH   TYR  13           HH       TYR  13   5.522 -10.624  -7.032
  106    H    TYR  14           H        TYR  14  -2.234  -9.567  -3.106
  107    HA   TYR  14           HA       TYR  14  -3.732 -11.521  -1.576
  108   1HB   TYR  14          2HB       TYR  14  -2.082  -9.515  -0.298
  109   2HB   TYR  14          1HB       TYR  14  -3.779  -9.286   0.115
  110    HD1  TYR  14           HD1      TYR  14  -4.934 -11.819   0.463
  111    HD2  TYR  14           HD2      TYR  14  -0.936 -10.654   1.333
  112    HE1  TYR  14           HE1      TYR  14  -4.773 -13.629   2.121
  113    HE2  TYR  14           HE2      TYR  14  -0.763 -12.461   2.992
  114    HH   TYR  14           HH       TYR  14  -2.300 -13.818   4.402
  115    H    LEU  15           H        LEU  15  -3.430  -8.280  -2.899
  116    HA   LEU  15           HA       LEU  15  -6.239  -8.320  -3.615
  117   1HB   LEU  15          2HB       LEU  15  -5.603  -5.736  -2.459
  118   2HB   LEU  15          1HB       LEU  15  -7.003  -6.761  -2.210
  119    HG   LEU  15           HG       LEU  15  -5.398  -8.128  -0.676
  120   1HD1  LEU  15          1HD1      LEU  15  -3.774  -6.612   0.465
  121   2HD1  LEU  15          2HD1      LEU  15  -4.023  -5.455  -0.842
  122   3HD1  LEU  15          3HD1      LEU  15  -3.337  -7.043  -1.188
  123   1HD2  LEU  15          1HD2      LEU  15  -6.297  -7.041   1.162
  124   2HD2  LEU  15          2HD2      LEU  15  -7.422  -6.613  -0.127
  125   3HD2  LEU  15          3HD2      LEU  15  -6.200  -5.454   0.398
  126    H    ASP  16           H        ASP  16  -6.759  -6.096  -4.736
  127    HA   ASP  16           HA       ASP  16  -4.448  -5.176  -6.289
  128   1HB   ASP  16          2HB       ASP  16  -7.006  -6.339  -7.367
  129   2HB   ASP  16          1HB       ASP  16  -6.062  -5.193  -8.315
  130    H    CYS  17           H        CYS  17  -5.470  -3.338  -7.891
  131    HA   CYS  17           HA       CYS  17  -6.828  -1.501  -6.042
  132   1HB   CYS  17          2HB       CYS  17  -4.496  -1.072  -7.283
  133   2HB   CYS  17          1HB       CYS  17  -5.577  -0.465  -8.529
  134    H    CYS  18           H        CYS  18  -7.901   0.368  -7.530
  135    HA   CYS  18           HA       CYS  18 -10.134  -0.959  -8.760
  136   1HB   CYS  18          2HB       CYS  18  -9.825   1.994  -8.922
  137   2HB   CYS  18          1HB       CYS  18 -11.250   1.028  -8.579
  138    H    GLU  19           H        GLU  19  -8.508   1.918 -10.003
  139    HA   GLU  19           HA       GLU  19  -7.163   1.166 -12.163
  140   1HB   GLU  19          2HB       GLU  19  -9.103  -0.311 -12.725
  141   2HB   GLU  19          1HB       GLU  19 -10.067   1.135 -12.992
  142   1HG   GLU  19          2HG       GLU  19  -8.911   1.713 -14.908
  143   2HG   GLU  19          1HG       GLU  19  -7.501   0.749 -14.470
  144    HA   PRO  20           HA       PRO  20  -6.693   1.698 -14.105
  145   1HB   PRO  20          2HB       PRO  20  -4.979   3.287 -15.389
  146   2HB   PRO  20          1HB       PRO  20  -6.674   3.191 -15.883
  147   1HG   PRO  20          2HG       PRO  20  -5.276   5.302 -14.301
  148   2HG   PRO  20          1HG       PRO  20  -6.534   5.475 -15.537
  149   1HD   PRO  20          2HD       PRO  20  -6.951   5.522 -12.780
  150   2HD   PRO  20          1HD       PRO  20  -8.202   5.246 -14.007
  151    H    LEU  21           H        LEU  21  -6.185   1.856 -11.438
  152    HA   LEU  21           HA       LEU  21  -3.345   2.501 -11.136
  153   1HB   LEU  21          2HB       LEU  21  -5.320   1.657  -9.019
  154   2HB   LEU  21          1HB       LEU  21  -3.708   2.295  -8.755
  155    HG   LEU  21           HG       LEU  21  -5.811   3.922 -10.156
  156   1HD1  LEU  21          1HD1      LEU  21  -6.585   3.079  -7.887
  157   2HD1  LEU  21          2HD1      LEU  21  -6.568   4.826  -8.126
  158   3HD1  LEU  21          3HD1      LEU  21  -5.281   4.049  -7.202
  159   1HD2  LEU  21          1HD2      LEU  21  -3.823   5.019 -10.431
  160   2HD2  LEU  21          2HD2      LEU  21  -3.139   4.389  -8.931
  161   3HD2  LEU  21          3HD2      LEU  21  -4.331   5.688  -8.880
  162    H    GLU  22           H        GLU  22  -2.148   0.927  -9.619
  163    HA   GLU  22           HA       GLU  22  -2.831  -1.858 -10.252
  164   1HB   GLU  22          2HB       GLU  22  -1.093  -0.943 -11.836
  165   2HB   GLU  22          1HB       GLU  22  -0.028  -0.751 -10.450
  166   1HG   GLU  22          2HG       GLU  22   0.662  -2.773 -11.248
  167   2HG   GLU  22          1HG       GLU  22  -0.548  -3.282 -10.071
  168    H    CYS  23           H        CYS  23  -3.218  -2.723  -8.320
  169    HA   CYS  23           HA       CYS  23  -2.135  -1.802  -5.883
  170   1HB   CYS  23          2HB       CYS  23  -4.125  -2.918  -5.571
  171   2HB   CYS  23          1HB       CYS  23  -3.739  -4.160  -6.755
  172    H    LYS  24           H        LYS  24   0.140  -1.748  -6.229
  173    HA   LYS  24           HA       LYS  24   1.422  -4.271  -5.583
  174   1HB   LYS  24          2HB       LYS  24   3.214  -3.590  -7.407
  175   2HB   LYS  24          1HB       LYS  24   1.818  -4.578  -7.817
  176   1HG   LYS  24          2HG       LYS  24   1.290  -3.101  -9.375
  177   2HG   LYS  24          1HG       LYS  24   0.993  -1.913  -8.105
  178   1HD   LYS  24          2HD       LYS  24   2.646  -1.269  -9.939
  179   2HD   LYS  24          1HD       LYS  24   3.164  -1.033  -8.268
  180   1HE   LYS  24          2HE       LYS  24   4.733  -2.195 -10.040
  181   2HE   LYS  24          1HE       LYS  24   4.698  -2.724  -8.359
  182   1HZ   LYS  24          1HZ       LYS  24   2.731  -4.189  -9.499
  183   2HZ   LYS  24          2HZ       LYS  24   4.308  -4.731  -9.216
  184   3HZ   LYS  24          3HZ       LYS  24   3.884  -4.121 -10.736
  185    H    LYS  25           H        LYS  25   4.055  -3.491  -5.929
  186    HA   LYS  25           HA       LYS  25   4.468  -1.884  -3.623
  187   1HB   LYS  25          2HB       LYS  25   5.973  -3.735  -4.456
  188   2HB   LYS  25          1HB       LYS  25   6.528  -2.623  -5.701
  189   1HG   LYS  25          2HG       LYS  25   7.702  -1.336  -4.229
  190   2HG   LYS  25          1HG       LYS  25   6.648  -1.732  -2.870
  191   1HD   LYS  25          2HD       LYS  25   8.193  -3.193  -2.206
  192   2HD   LYS  25          1HD       LYS  25   7.800  -4.158  -3.631
  193   1HE   LYS  25          2HE       LYS  25   9.600  -3.370  -4.828
  194   2HE   LYS  25          1HE       LYS  25   9.692  -1.870  -3.904
  195   1HZ   LYS  25          1HZ       LYS  25  11.033  -4.344  -3.463
  196   2HZ   LYS  25          2HZ       LYS  25  10.188  -3.857  -2.081
  197   3HZ   LYS  25          3HZ       LYS  25  11.332  -2.825  -2.780
  198    H    VAL  26           H        VAL  26   4.687   0.228  -3.418
  199    HA   VAL  26           HA       VAL  26   4.606   1.908  -5.791
  200    HB   VAL  26           HB       VAL  26   4.798   3.174  -3.130
  201   1HG1  VAL  26          1HG1      VAL  26   4.149   4.065  -5.558
  202   2HG1  VAL  26          2HG1      VAL  26   3.513   4.783  -4.078
  203   3HG1  VAL  26          3HG1      VAL  26   2.539   3.627  -4.986
  204   1HG2  VAL  26          1HG2      VAL  26   2.543   1.326  -3.860
  205   2HG2  VAL  26          2HG2      VAL  26   2.343   2.654  -2.717
  206   3HG2  VAL  26          3HG2      VAL  26   3.496   1.364  -2.377
  207    H    ASN  27           H        ASN  27   6.804   0.799  -3.403
  208    HA   ASN  27           HA       ASN  27   8.963   2.332  -4.626
  209   1HB   ASN  27          2HB       ASN  27   9.514   2.263  -1.864
  210   2HB   ASN  27          1HB       ASN  27   9.210   3.676  -2.865
  211   1HD2  ASN  27          1HD2      ASN  27   7.642   4.928  -2.178
  212   2HD2  ASN  27          2HD2      ASN  27   6.271   4.433  -1.252
  213    H    TRP  28           H        TRP  28   9.855   1.089  -1.691
  214    HA   TRP  28           HA       TRP  28  10.616  -1.511  -2.818
  215   1HB   TRP  28          2HB       TRP  28  12.823  -1.244  -2.324
  216   2HB   TRP  28          1HB       TRP  28  12.425   0.465  -2.479
  217    HD1  TRP  28           HD1      TRP  28  11.038   0.962   0.304
  218    HE1  TRP  28           HE1      TRP  28  12.430   0.909   2.470
  219    HE3  TRP  28           HE3      TRP  28  15.017  -1.781  -1.360
  220    HZ2  TRP  28           HZ2      TRP  28  14.893  -0.156   3.353
  221    HZ3  TRP  28           HZ3      TRP  28  16.849  -2.273   0.206
  222    HH2  TRP  28           HH2      TRP  28  16.788  -1.476   2.513
  223    H    TRP  29           H        TRP  29   9.130   0.213  -0.365
  224    HA   TRP  29           HA       TRP  29   8.965  -2.194   1.291
  225   1HB   TRP  29          2HB       TRP  29   9.783  -1.257   3.192
  226   2HB   TRP  29          1HB       TRP  29  10.648  -0.228   2.054
  227    HD1  TRP  29           HD1      TRP  29   7.566  -0.179   4.359
  228    HE1  TRP  29           HE1      TRP  29   6.999   2.271   4.900
  229    HE3  TRP  29           HE3      TRP  29  10.922   2.131   1.271
  230    HZ2  TRP  29           HZ2      TRP  29   7.859   4.844   4.120
  231    HZ3  TRP  29           HZ3      TRP  29  10.983   4.590   1.227
  232    HH2  TRP  29           HH2      TRP  29   9.483   5.917   2.622
  233    H    ASP  30           H        ASP  30   7.658   0.888   0.286
  234    HA   ASP  30           HA       ASP  30   5.188   0.445   1.771
  235   1HB   ASP  30          2HB       ASP  30   6.136   2.718   1.708
  236   2HB   ASP  30          1HB       ASP  30   5.988   2.730  -0.045
  237    H    HIS  31           H        HIS  31   3.915  -1.056   0.858
  238    HA   HIS  31           HA       HIS  31   3.626  -1.147  -2.042
  239   1HB   HIS  31          2HB       HIS  31   3.012  -2.996   0.214
  240   2HB   HIS  31          1HB       HIS  31   2.042  -3.132  -1.246
  241    HD1  HIS  31           HD1      HIS  31   5.691  -3.209  -0.208
  242    HD2  HIS  31           HD2      HIS  31   3.192  -4.619  -3.213
  243    HE1  HIS  31           HE1      HIS  31   7.124  -4.720  -1.620
  244    HE2  HIS  31           HE2      HIS  31   5.610  -5.495  -3.479
  245    H    LYS  32           H        LYS  32   2.092   0.022  -2.980
  246    HA   LYS  32           HA       LYS  32  -0.546   0.198  -1.755
  247   1HB   LYS  32          2HB       LYS  32   0.785   2.688  -2.801
  248   2HB   LYS  32          1HB       LYS  32  -0.692   2.556  -1.856
  249   1HG   LYS  32          2HG       LYS  32   0.780   1.645   0.011
  250   2HG   LYS  32          1HG       LYS  32   2.144   2.233  -0.942
  251   1HD   LYS  32          2HD       LYS  32  -0.181   3.961  -0.110
  252   2HD   LYS  32          1HD       LYS  32   1.309   3.816   0.823
  253   1HE   LYS  32          2HE       LYS  32   2.258   4.345  -1.682
  254   2HE   LYS  32          1HE       LYS  32   0.768   5.287  -1.651
  255   1HZ   LYS  32          1HZ       LYS  32   1.676   6.762  -0.281
  256   2HZ   LYS  32          2HZ       LYS  32   3.170   6.038  -0.600
  257   3HZ   LYS  32          3HZ       LYS  32   2.277   5.571   0.759
  258    H    CYS  33           H        CYS  33  -1.219   2.333  -3.689
  259    HA   CYS  33           HA       CYS  33  -1.504   0.616  -6.043
  260   1HB   CYS  33          2HB       CYS  33  -3.110   2.851  -4.868
  261   2HB   CYS  33          1HB       CYS  33  -3.283   2.440  -6.567
  262    H    ILE  34           H        ILE  34  -0.855   1.281  -8.053
  263    HA   ILE  34           HA       ILE  34   0.462   3.911  -8.221
  264    HB   ILE  34           HB       ILE  34   1.795   2.450 -10.088
  265   1HG1  ILE  34          2HG1      ILE  34   0.654   0.384  -9.209
  266   2HG1  ILE  34          1HG1      ILE  34   2.413   0.319  -9.182
  267   1HG2  ILE  34          1HG2      ILE  34   3.129   2.236  -7.541
  268   2HG2  ILE  34          2HG2      ILE  34   2.345   3.806  -7.717
  269   3HG2  ILE  34          3HG2      ILE  34   3.509   3.260  -8.925
  270   1HD1  ILE  34          1HD1      ILE  34   1.692  -0.597  -7.145
  271   2HD1  ILE  34          2HD1      ILE  34   0.534   0.707  -6.879
  272   3HD1  ILE  34          3HD1      ILE  34   2.265   1.027  -6.763
  273    H    GLY  35           HN       GLY  35   1.124   3.918 -10.877
  274   1HA   GLY  35          2HA       GLY  35  -1.090   3.152 -12.533
  275   2HA   GLY  35          1HA       GLY  35  -1.102   4.868 -12.156
  Start of MODEL    9
    1    HN   PCA   1           HN       PCA   1 -14.811  -8.499  -1.924
    2    HA   PCA   1           HA       PCA   1 -13.290  -7.053  -0.325
    3   1HB   PCA   1          1HB       PCA   1 -11.109  -7.653  -2.319
    4   2HB   PCA   1          2HB       PCA   1 -11.002  -7.461  -0.543
    5   1HG   PCA   1          1HG       PCA   1 -11.027  -9.934  -1.858
    6   2HG   PCA   1          2HG       PCA   1 -11.530  -9.699  -0.157
    7    H    GLN   2           H        GLN   2 -12.909  -4.899  -0.880
    8    HA   GLN   2           HA       GLN   2 -14.124  -4.071  -3.379
    9   1HB   GLN   2          2HB       GLN   2 -14.845  -2.884  -1.435
   10   2HB   GLN   2          1HB       GLN   2 -13.188  -2.550  -0.950
   11   1HG   GLN   2          2HG       GLN   2 -13.494  -0.568  -1.908
   12   2HG   GLN   2          1HG       GLN   2 -13.297  -1.425  -3.435
   13   1HE2  GLN   2          1HE2      GLN   2 -14.846   0.977  -2.786
   14   2HE2  GLN   2          2HE2      GLN   2 -16.471   0.632  -3.257
   15    H    CYS   3           H        CYS   3 -13.112  -2.086  -4.427
   16    HA   CYS   3           HA       CYS   3 -10.663  -2.839  -5.587
   17   1HB   CYS   3          2HB       CYS   3 -10.887  -0.981  -6.937
   18   2HB   CYS   3          1HB       CYS   3 -12.554  -1.191  -6.423
   19    H    VAL   4           H        VAL   4  -9.272  -0.405  -5.741
   20    HA   VAL   4           HA       VAL   4  -8.454   0.288  -3.037
   21    HB   VAL   4           HB       VAL   4  -6.377  -0.643  -5.009
   22   1HG1  VAL   4          1HG1      VAL   4  -5.852   1.010  -3.132
   23   2HG1  VAL   4          2HG1      VAL   4  -4.838  -0.427  -3.257
   24   3HG1  VAL   4          3HG1      VAL   4  -6.108  -0.347  -2.035
   25   1HG2  VAL   4          1HG2      VAL   4  -7.358  -2.196  -2.627
   26   2HG2  VAL   4          2HG2      VAL   4  -6.230  -2.722  -3.875
   27   3HG2  VAL   4          3HG2      VAL   4  -7.932  -2.482  -4.269
   28    H    LYS   5           H        LYS   5  -8.076   2.395  -2.935
   29    HA   LYS   5           HA       LYS   5  -8.117   3.969  -5.334
   30   1HB   LYS   5          2HB       LYS   5  -8.830   4.371  -2.654
   31   2HB   LYS   5          1HB       LYS   5  -7.515   5.489  -2.975
   32   1HG   LYS   5          2HG       LYS   5  -9.131   6.840  -3.721
   33   2HG   LYS   5          1HG       LYS   5  -9.052   5.850  -5.179
   34   1HD   LYS   5          2HD       LYS   5 -11.094   5.016  -4.831
   35   2HD   LYS   5          1HD       LYS   5 -10.736   4.655  -3.141
   36   1HE   LYS   5          2HE       LYS   5 -11.337   7.442  -4.084
   37   2HE   LYS   5          1HE       LYS   5 -12.613   6.319  -3.621
   38   1HZ   LYS   5          1HZ       LYS   5 -10.499   6.481  -1.687
   39   2HZ   LYS   5          2HZ       LYS   5 -12.171   6.611  -1.471
   40   3HZ   LYS   5          3HZ       LYS   5 -11.272   7.966  -1.936
   41    H    LYS   6           H        LYS   6  -6.539   5.554  -5.913
   42    HA   LYS   6           HA       LYS   6  -3.901   4.598  -5.918
   43   1HB   LYS   6          2HB       LYS   6  -4.119   5.999  -7.681
   44   2HB   LYS   6          1HB       LYS   6  -5.307   7.005  -6.864
   45   1HG   LYS   6          2HG       LYS   6  -3.390   8.340  -7.290
   46   2HG   LYS   6          1HG       LYS   6  -3.443   8.019  -5.556
   47   1HD   LYS   6          2HD       LYS   6  -1.752   6.319  -5.768
   48   2HD   LYS   6          1HD       LYS   6  -1.782   6.453  -7.527
   49   1HE   LYS   6          2HE       LYS   6  -1.295   9.031  -6.752
   50   2HE   LYS   6          1HE       LYS   6  -0.419   8.105  -5.534
   51   1HZ   LYS   6          1HZ       LYS   6   0.885   8.682  -7.563
   52   2HZ   LYS   6          2HZ       LYS   6  -0.123   7.655  -8.451
   53   3HZ   LYS   6          3HZ       LYS   6   0.840   7.028  -7.211
   54    H    ASP   7           H        ASP   7  -2.079   5.167  -4.776
   55    HA   ASP   7           HA       ASP   7  -0.785   6.126  -3.135
   56   1HB   ASP   7          2HB       ASP   7  -1.895   8.274  -3.515
   57   2HB   ASP   7          1HB       ASP   7  -3.260   7.761  -2.527
   58    H    GLU   8           H        GLU   8  -3.564   4.362  -2.815
   59    HA   GLU   8           HA       GLU   8  -3.424   4.056   0.074
   60   1HB   GLU   8          2HB       GLU   8  -5.271   3.057  -2.067
   61   2HB   GLU   8          1HB       GLU   8  -5.248   2.272  -0.495
   62   1HG   GLU   8          2HG       GLU   8  -5.456   4.854   0.254
   63   2HG   GLU   8          1HG       GLU   8  -6.308   4.893  -1.287
   64    H    LEU   9           H        LEU   9  -2.750   2.198   1.126
   65    HA   LEU   9           HA       LEU   9  -0.661   0.753  -0.001
   66   1HB   LEU   9          2HB       LEU   9  -2.415   0.258   2.386
   67   2HB   LEU   9          1HB       LEU   9  -1.085  -0.806   1.974
   68    HG   LEU   9           HG       LEU   9  -0.903   1.336   3.637
   69   1HD1  LEU   9          1HD1      LEU   9   1.182   0.577   3.900
   70   2HD1  LEU   9          2HD1      LEU   9   1.582   0.813   2.198
   71   3HD1  LEU   9          3HD1      LEU   9   0.732  -0.646   2.711
   72   1HD2  LEU   9          1HD2      LEU   9  -0.968   2.486   1.101
   73   2HD2  LEU   9          2HD2      LEU   9   0.734   2.485   1.564
   74   3HD2  LEU   9          3HD2      LEU   9  -0.463   3.253   2.606
   75    H    CYS  10           H        CYS  10  -0.714  -1.789   0.123
   76    HA   CYS  10           HA       CYS  10  -3.015  -3.214  -0.552
   77   1HB   CYS  10          2HB       CYS  10  -2.439  -1.550  -2.613
   78   2HB   CYS  10          1HB       CYS  10  -1.488  -2.958  -3.070
   79    H    ILE  11           H        ILE  11  -2.305  -5.274  -1.933
   80    HA   ILE  11           HA       ILE  11   0.421  -6.052  -1.240
   81    HB   ILE  11           HB       ILE  11  -1.721  -8.022  -0.639
   82   1HG1  ILE  11          2HG1      ILE  11  -0.914  -6.361   1.655
   83   2HG1  ILE  11          1HG1      ILE  11  -1.943  -5.541   0.486
   84   1HG2  ILE  11          1HG2      ILE  11   0.811  -8.400  -0.585
   85   2HG2  ILE  11          2HG2      ILE  11  -0.127  -8.947   0.805
   86   3HG2  ILE  11          3HG2      ILE  11   0.791  -7.444   0.896
   87   1HD1  ILE  11          1HD1      ILE  11  -2.826  -8.228   1.277
   88   2HD1  ILE  11          2HD1      ILE  11  -3.751  -6.745   1.045
   89   3HD1  ILE  11          3HD1      ILE  11  -2.860  -7.003   2.545
   90    HA   PRO  12           HA       PRO  12  -0.125  -7.272  -5.564
   91   1HB   PRO  12          2HB       PRO  12   2.560  -8.393  -4.901
   92   2HB   PRO  12          1HB       PRO  12   2.053  -7.442  -6.301
   93   1HG   PRO  12          2HG       PRO  12   3.460  -6.320  -4.341
   94   2HG   PRO  12          1HG       PRO  12   2.146  -5.436  -5.139
   95   1HD   PRO  12          2HD       PRO  12   2.211  -6.719  -2.449
   96   2HD   PRO  12          1HD       PRO  12   1.370  -5.248  -2.980
   97    H    TYR  13           H        TYR  13  -0.338  -9.249  -6.669
   98    HA   TYR  13           HA       TYR  13  -0.732 -11.475  -6.952
   99   1HB   TYR  13          2HB       TYR  13   0.434 -12.042  -4.239
  100   2HB   TYR  13          1HB       TYR  13   0.416 -13.073  -5.666
  101    HD1  TYR  13           HD1      TYR  13   1.958 -12.599  -7.550
  102    HD2  TYR  13           HD2      TYR  13   2.163 -10.432  -3.895
  103    HE1  TYR  13           HE1      TYR  13   4.209 -11.814  -8.150
  104    HE2  TYR  13           HE2      TYR  13   4.415  -9.640  -4.484
  105    HH   TYR  13           HH       TYR  13   6.340 -10.953  -6.568
  106    H    TYR  14           H        TYR  14  -1.614  -9.896  -3.989
  107    HA   TYR  14           HA       TYR  14  -3.799 -11.799  -3.549
  108   1HB   TYR  14          2HB       TYR  14  -3.168  -9.495  -1.731
  109   2HB   TYR  14          1HB       TYR  14  -3.919 -11.039  -1.343
  110    HD1  TYR  14           HD1      TYR  14  -0.828  -9.203  -1.581
  111    HD2  TYR  14           HD2      TYR  14  -2.491 -13.108  -1.289
  112    HE1  TYR  14           HE1      TYR  14   1.355 -10.071  -0.857
  113    HE2  TYR  14           HE2      TYR  14  -0.313 -13.988  -0.563
  114    HH   TYR  14           HH       TYR  14   2.573 -11.998  -0.583
  115    H    LEU  15           H        LEU  15  -4.137  -8.590  -2.363
  116    HA   LEU  15           HA       LEU  15  -6.623  -8.236  -3.699
  117   1HB   LEU  15          2HB       LEU  15  -5.690  -5.749  -2.703
  118   2HB   LEU  15          1HB       LEU  15  -6.933  -6.793  -2.043
  119    HG   LEU  15           HG       LEU  15  -5.102  -8.053  -0.851
  120   1HD1  LEU  15          1HD1      LEU  15  -2.949  -7.105  -0.638
  121   2HD1  LEU  15          2HD1      LEU  15  -3.436  -5.628  -1.469
  122   3HD1  LEU  15          3HD1      LEU  15  -3.300  -7.140  -2.366
  123   1HD2  LEU  15          1HD2      LEU  15  -5.116  -5.185  -0.005
  124   2HD2  LEU  15          2HD2      LEU  15  -5.196  -6.645   0.982
  125   3HD2  LEU  15          3HD2      LEU  15  -6.599  -6.138   0.042
  126    H    ASP  16           H        ASP  16  -7.119  -6.175  -4.905
  127    HA   ASP  16           HA       ASP  16  -4.906  -5.334  -6.638
  128   1HB   ASP  16          2HB       ASP  16  -7.177  -6.936  -7.420
  129   2HB   ASP  16          1HB       ASP  16  -7.195  -5.395  -8.272
  130    H    CYS  17           H        CYS  17  -5.436  -3.336  -7.872
  131    HA   CYS  17           HA       CYS  17  -6.857  -1.498  -6.137
  132   1HB   CYS  17          2HB       CYS  17  -5.153  -1.025  -8.588
  133   2HB   CYS  17          1HB       CYS  17  -5.852   0.237  -7.590
  134    H    CYS  18           H        CYS  18  -8.273   0.166  -7.113
  135    HA   CYS  18           HA       CYS  18 -10.449  -0.963  -8.417
  136   1HB   CYS  18          2HB       CYS  18  -9.980   1.946  -8.793
  137   2HB   CYS  18          1HB       CYS  18 -11.434   1.091  -8.283
  138    H    GLU  19           H        GLU  19  -8.875   1.788  -9.931
  139    HA   GLU  19           HA       GLU  19  -7.677   0.748 -12.129
  140   1HB   GLU  19          2HB       GLU  19 -10.129  -0.263 -12.317
  141   2HB   GLU  19          1HB       GLU  19 -10.453   1.291 -13.073
  142   1HG   GLU  19          2HG       GLU  19  -9.948  -0.140 -14.842
  143   2HG   GLU  19          1HG       GLU  19  -8.472   0.791 -14.585
  144    HA   PRO  20           HA       PRO  20  -7.186   1.183 -14.069
  145   1HB   PRO  20          2HB       PRO  20  -5.273   2.498 -15.386
  146   2HB   PRO  20          1HB       PRO  20  -6.969   2.636 -15.867
  147   1HG   PRO  20          2HG       PRO  20  -5.280   4.542 -14.305
  148   2HG   PRO  20          1HG       PRO  20  -6.491   4.882 -15.553
  149   1HD   PRO  20          2HD       PRO  20  -6.926   5.041 -12.813
  150   2HD   PRO  20          1HD       PRO  20  -8.196   4.883 -14.042
  151    H    LEU  21           H        LEU  21  -6.342   2.555 -11.338
  152    HA   LEU  21           HA       LEU  21  -3.552   2.368 -11.133
  153   1HB   LEU  21          2HB       LEU  21  -5.546   1.854  -8.932
  154   2HB   LEU  21          1HB       LEU  21  -3.875   2.352  -8.744
  155    HG   LEU  21           HG       LEU  21  -5.908   4.070 -10.150
  156   1HD1  LEU  21          1HD1      LEU  21  -6.644   3.553  -7.834
  157   2HD1  LEU  21          2HD1      LEU  21  -6.272   5.256  -8.099
  158   3HD1  LEU  21          3HD1      LEU  21  -5.123   4.226  -7.246
  159   1HD2  LEU  21          1HD2      LEU  21  -3.878   5.504  -8.789
  160   2HD2  LEU  21          2HD2      LEU  21  -4.161   5.385 -10.525
  161   3HD2  LEU  21          3HD2      LEU  21  -3.102   4.224  -9.723
  162    H    GLU  22           H        GLU  22  -2.462   0.759  -9.603
  163    HA   GLU  22           HA       GLU  22  -3.465  -1.965 -10.078
  164   1HB   GLU  22          2HB       GLU  22  -1.153  -0.799 -11.234
  165   2HB   GLU  22          1HB       GLU  22  -0.602  -1.968 -10.040
  166   1HG   GLU  22          2HG       GLU  22  -2.516  -3.404 -11.286
  167   2HG   GLU  22          1HG       GLU  22  -1.963  -2.381 -12.610
  168    H    CYS  23           H        CYS  23  -2.942  -3.504  -8.507
  169    HA   CYS  23           HA       CYS  23  -2.350  -2.363  -5.892
  170   1HB   CYS  23          2HB       CYS  23  -4.321  -3.774  -6.069
  171   2HB   CYS  23          1HB       CYS  23  -3.354  -5.095  -6.714
  172    H    LYS  24           H        LYS  24  -0.081  -2.045  -6.133
  173    HA   LYS  24           HA       LYS  24   1.442  -4.446  -5.549
  174   1HB   LYS  24          2HB       LYS  24   3.207  -3.527  -7.286
  175   2HB   LYS  24          1HB       LYS  24   1.925  -4.624  -7.780
  176   1HG   LYS  24          2HG       LYS  24   1.336  -3.142  -9.312
  177   2HG   LYS  24          1HG       LYS  24   0.842  -2.059  -8.008
  178   1HD   LYS  24          2HD       LYS  24   2.480  -1.111  -9.691
  179   2HD   LYS  24          1HD       LYS  24   2.935  -0.964  -7.992
  180   1HE   LYS  24          2HE       LYS  24   4.150  -3.238  -8.431
  181   2HE   LYS  24          1HE       LYS  24   4.065  -2.730 -10.118
  182   1HZ   LYS  24          1HZ       LYS  24   6.116  -1.968  -9.273
  183   2HZ   LYS  24          2HZ       LYS  24   5.407  -1.334  -7.875
  184   3HZ   LYS  24          3HZ       LYS  24   5.124  -0.601  -9.371
  185    H    LYS  25           H        LYS  25   3.959  -3.570  -5.563
  186    HA   LYS  25           HA       LYS  25   4.030  -1.762  -3.339
  187   1HB   LYS  25          2HB       LYS  25   5.607  -3.590  -3.414
  188   2HB   LYS  25          1HB       LYS  25   6.226  -3.048  -4.968
  189   1HG   LYS  25          2HG       LYS  25   7.372  -1.268  -4.040
  190   2HG   LYS  25          1HG       LYS  25   6.369  -1.247  -2.588
  191   1HD   LYS  25          2HD       LYS  25   8.635  -2.109  -2.151
  192   2HD   LYS  25          1HD       LYS  25   7.386  -3.309  -1.820
  193   1HE   LYS  25          2HE       LYS  25   8.347  -4.724  -3.233
  194   2HE   LYS  25          1HE       LYS  25   8.170  -3.557  -4.543
  195   1HZ   LYS  25          1HZ       LYS  25  10.337  -3.171  -4.510
  196   2HZ   LYS  25          2HZ       LYS  25  10.522  -4.425  -3.390
  197   3HZ   LYS  25          3HZ       LYS  25  10.325  -2.834  -2.853
  198    H    VAL  26           H        VAL  26   4.456   0.335  -3.290
  199    HA   VAL  26           HA       VAL  26   4.692   1.763  -5.814
  200    HB   VAL  26           HB       VAL  26   4.766   3.314  -3.319
  201   1HG1  VAL  26          1HG1      VAL  26   4.171   3.807  -5.932
  202   2HG1  VAL  26          2HG1      VAL  26   3.719   4.847  -4.580
  203   3HG1  VAL  26          3HG1      VAL  26   2.564   3.676  -5.217
  204   1HG2  VAL  26          1HG2      VAL  26   3.211   1.128  -3.102
  205   2HG2  VAL  26          2HG2      VAL  26   2.075   2.239  -3.866
  206   3HG2  VAL  26          3HG2      VAL  26   2.838   2.672  -2.336
  207    H    ASN  27           H        ASN  27   6.597   0.760  -3.150
  208    HA   ASN  27           HA       ASN  27   8.936   2.086  -4.299
  209   1HB   ASN  27          2HB       ASN  27   9.043   2.040  -1.407
  210   2HB   ASN  27          1HB       ASN  27   9.388   3.357  -2.517
  211   1HD2  ASN  27          1HD2      ASN  27   8.316   5.009  -1.643
  212   2HD2  ASN  27          2HD2      ASN  27   6.620   5.029  -1.315
  213    H    TRP  28           H        TRP  28   9.604   0.917  -1.270
  214    HA   TRP  28           HA       TRP  28  10.234  -1.773  -2.249
  215   1HB   TRP  28          2HB       TRP  28  12.445  -1.634  -1.719
  216   2HB   TRP  28          1HB       TRP  28  12.169   0.079  -2.017
  217    HD1  TRP  28           HD1      TRP  28  10.745   0.815   0.738
  218    HE1  TRP  28           HE1      TRP  28  12.137   0.873   2.901
  219    HE3  TRP  28           HE3      TRP  28  14.655  -2.129  -0.735
  220    HZ2  TRP  28           HZ2      TRP  28  14.574  -0.187   3.856
  221    HZ3  TRP  28           HZ3      TRP  28  16.476  -2.558   0.863
  222    HH2  TRP  28           HH2      TRP  28  16.436  -1.606   3.110
  223    H    TRP  29           H        TRP  29   9.061   0.267   0.207
  224    HA   TRP  29           HA       TRP  29   8.683  -2.056   1.971
  225   1HB   TRP  29          2HB       TRP  29   9.450  -0.972   3.826
  226   2HB   TRP  29          1HB       TRP  29  10.413  -0.113   2.628
  227    HD1  TRP  29           HD1      TRP  29   7.133   0.337   4.630
  228    HE1  TRP  29           HE1      TRP  29   6.733   2.859   4.951
  229    HE3  TRP  29           HE3      TRP  29  11.018   2.137   1.838
  230    HZ2  TRP  29           HZ2      TRP  29   7.907   5.289   4.127
  231    HZ3  TRP  29           HZ3      TRP  29  11.309   4.573   1.654
  232    HH2  TRP  29           HH2      TRP  29   9.784   6.116   2.776
  233    H    ASP  30           H        ASP  30   7.437   0.825   0.527
  234    HA   ASP  30           HA       ASP  30   4.912   0.551   1.996
  235   1HB   ASP  30          2HB       ASP  30   6.398   2.797   1.298
  236   2HB   ASP  30          1HB       ASP  30   5.063   2.793   0.154
  237    H    HIS  31           H        HIS  31   3.551  -0.815   1.034
  238    HA   HIS  31           HA       HIS  31   3.464  -0.968  -1.884
  239   1HB   HIS  31          2HB       HIS  31   2.658  -2.754   0.354
  240   2HB   HIS  31          1HB       HIS  31   1.723  -2.854  -1.131
  241    HD1  HIS  31           HD1      HIS  31   5.409  -2.914  -0.165
  242    HD2  HIS  31           HD2      HIS  31   2.764  -4.640  -2.866
  243    HE1  HIS  31           HE1      HIS  31   6.769  -4.580  -1.468
  244    HE2  HIS  31           HE2      HIS  31   5.167  -5.553  -3.150
  245    H    LYS  32           H        LYS  32   1.889  -0.012  -3.030
  246    HA   LYS  32           HA       LYS  32  -0.715   0.440  -1.832
  247   1HB   LYS  32          2HB       LYS  32   1.208   2.607  -2.550
  248   2HB   LYS  32          1HB       LYS  32  -0.500   2.871  -2.863
  249   1HG   LYS  32          2HG       LYS  32  -0.758   3.486  -0.759
  250   2HG   LYS  32          1HG       LYS  32  -0.310   1.859  -0.246
  251   1HD   LYS  32          2HD       LYS  32   1.123   3.451   0.854
  252   2HD   LYS  32          1HD       LYS  32   2.072   2.541  -0.324
  253   1HE   LYS  32          2HE       LYS  32   2.690   4.438  -1.292
  254   2HE   LYS  32          1HE       LYS  32   1.003   4.808  -1.642
  255   1HZ   LYS  32          1HZ       LYS  32   1.712   6.607  -0.395
  256   2HZ   LYS  32          2HZ       LYS  32   2.639   5.663   0.658
  257   3HZ   LYS  32          3HZ       LYS  32   0.950   5.640   0.766
  258    H    CYS  33           H        CYS  33  -1.349   2.390  -3.895
  259    HA   CYS  33           HA       CYS  33  -1.672   0.555  -6.157
  260   1HB   CYS  33          2HB       CYS  33  -3.288   2.823  -5.049
  261   2HB   CYS  33          1HB       CYS  33  -3.497   2.326  -6.720
  262    H    ILE  34           H        ILE  34  -1.063   1.146  -8.207
  263    HA   ILE  34           HA       ILE  34   0.126   3.816  -8.547
  264    HB   ILE  34           HB       ILE  34   1.600   2.252 -10.248
  265   1HG1  ILE  34          2HG1      ILE  34   2.386   0.328  -9.048
  266   2HG1  ILE  34          1HG1      ILE  34   1.454   0.770  -7.619
  267   1HG2  ILE  34          1HG2      ILE  34   3.450   2.766  -8.833
  268   2HG2  ILE  34          2HG2      ILE  34   2.400   2.932  -7.426
  269   3HG2  ILE  34          3HG2      ILE  34   2.315   4.112  -8.734
  270   1HD1  ILE  34          1HD1      ILE  34   0.260  -0.973  -8.604
  271   2HD1  ILE  34          2HD1      ILE  34   0.474  -0.322 -10.229
  272   3HD1  ILE  34          3HD1      ILE  34  -0.606   0.483  -9.092
  273    H    GLY  35           HN       GLY  35   0.963   3.247 -11.246
  274   1HA   GLY  35          2HA       GLY  35  -0.974   2.235 -12.938
  275   2HA   GLY  35          1HA       GLY  35  -1.459   3.890 -12.601
  Start of MODEL   10
    1    HN   PCA   1           HN       PCA   1 -14.320  -7.941  -2.028
    2    HA   PCA   1           HA       PCA   1 -11.945  -7.414  -1.531
    3   1HB   PCA   1          1HB       PCA   1 -10.627  -7.973  -3.960
    4   2HB   PCA   1          2HB       PCA   1 -10.700  -9.083  -2.560
    5   1HG   PCA   1          1HG       PCA   1 -12.147  -9.253  -5.146
    6   2HG   PCA   1          2HG       PCA   1 -11.968 -10.501  -3.875
    7    H    GLN   2           H        GLN   2 -13.620  -5.528  -1.872
    8    HA   GLN   2           HA       GLN   2 -14.058  -4.013  -4.018
    9   1HB   GLN   2          2HB       GLN   2 -13.263  -2.040  -2.290
   10   2HB   GLN   2          1HB       GLN   2 -14.841  -2.818  -2.282
   11   1HG   GLN   2          2HG       GLN   2 -14.419  -3.968  -0.391
   12   2HG   GLN   2          1HG       GLN   2 -12.711  -4.183  -0.770
   13   1HE2  GLN   2          1HE2      GLN   2 -15.086  -1.817   0.315
   14   2HE2  GLN   2          2HE2      GLN   2 -13.986  -0.871   1.253
   15    H    CYS   3           H        CYS   3 -13.027  -2.449  -5.267
   16    HA   CYS   3           HA       CYS   3 -10.453  -2.928  -6.112
   17   1HB   CYS   3          2HB       CYS   3 -10.644  -1.041  -7.444
   18   2HB   CYS   3          1HB       CYS   3 -12.336  -1.380  -7.105
   19    H    VAL   4           H        VAL   4  -9.171  -0.432  -6.131
   20    HA   VAL   4           HA       VAL   4  -8.676   0.415  -3.423
   21    HB   VAL   4           HB       VAL   4  -6.360  -0.787  -4.919
   22   1HG1  VAL   4          1HG1      VAL   4  -5.571  -0.754  -2.389
   23   2HG1  VAL   4          2HG1      VAL   4  -6.739   0.565  -2.308
   24   3HG1  VAL   4          3HG1      VAL   4  -5.392   0.648  -3.442
   25   1HG2  VAL   4          1HG2      VAL   4  -7.354  -2.127  -2.492
   26   2HG2  VAL   4          2HG2      VAL   4  -6.658  -2.810  -3.962
   27   3HG2  VAL   4          3HG2      VAL   4  -8.348  -2.307  -3.937
   28    H    LYS   5           H        LYS   5  -8.377   2.499  -3.531
   29    HA   LYS   5           HA       LYS   5  -7.791   3.781  -6.037
   30   1HB   LYS   5          2HB       LYS   5  -9.218   4.479  -3.738
   31   2HB   LYS   5          1HB       LYS   5  -7.844   5.572  -3.784
   32   1HG   LYS   5          2HG       LYS   5  -8.867   6.807  -5.302
   33   2HG   LYS   5          1HG       LYS   5  -8.916   5.426  -6.400
   34   1HD   LYS   5          2HD       LYS   5 -11.129   5.386  -6.188
   35   2HD   LYS   5          1HD       LYS   5 -10.931   5.003  -4.476
   36   1HE   LYS   5          2HE       LYS   5 -11.559   7.582  -5.792
   37   2HE   LYS   5          1HE       LYS   5 -12.150   6.913  -4.271
   38   1HZ   LYS   5          1HZ       LYS   5 -10.664   8.120  -3.189
   39   2HZ   LYS   5          2HZ       LYS   5 -10.133   8.799  -4.645
   40   3HZ   LYS   5          3HZ       LYS   5  -9.393   7.401  -4.044
   41    H    LYS   6           H        LYS   6  -6.104   5.338  -6.349
   42    HA   LYS   6           HA       LYS   6  -3.568   4.470  -5.582
   43   1HB   LYS   6          2HB       LYS   6  -3.910   5.844  -7.559
   44   2HB   LYS   6          1HB       LYS   6  -4.449   7.190  -6.565
   45   1HG   LYS   6          2HG       LYS   6  -1.737   6.055  -6.101
   46   2HG   LYS   6          1HG       LYS   6  -2.009   7.097  -7.499
   47   1HD   LYS   6          2HD       LYS   6  -3.052   8.033  -4.887
   48   2HD   LYS   6          1HD       LYS   6  -1.301   8.050  -5.110
   49   1HE   LYS   6          2HE       LYS   6  -1.518   9.427  -7.075
   50   2HE   LYS   6          1HE       LYS   6  -3.277   9.311  -7.007
   51   1HZ   LYS   6          1HZ       LYS   6  -3.078  10.394  -4.751
   52   2HZ   LYS   6          2HZ       LYS   6  -2.733  11.380  -6.082
   53   3HZ   LYS   6          3HZ       LYS   6  -1.472  10.746  -5.151
   54    H    ASP   7           H        ASP   7  -2.124   5.114  -4.023
   55    HA   ASP   7           HA       ASP   7  -1.316   6.416  -2.251
   56   1HB   ASP   7          2HB       ASP   7  -2.908   8.244  -2.803
   57   2HB   ASP   7          1HB       ASP   7  -4.168   7.380  -1.926
   58    H    GLU   8           H        GLU   8  -3.909   4.234  -2.404
   59    HA   GLU   8           HA       GLU   8  -3.911   3.660   0.447
   60   1HB   GLU   8          2HB       GLU   8  -5.504   2.676  -1.900
   61   2HB   GLU   8          1HB       GLU   8  -5.522   1.794  -0.379
   62   1HG   GLU   8          2HG       GLU   8  -6.076   4.176   0.600
   63   2HG   GLU   8          1HG       GLU   8  -6.648   4.457  -1.045
   64    H    LEU   9           H        LEU   9  -3.355   1.600   1.309
   65    HA   LEU   9           HA       LEU   9  -1.033   0.462   0.105
   66   1HB   LEU   9          2HB       LEU   9  -2.646  -0.188   2.558
   67   2HB   LEU   9          1HB       LEU   9  -1.266  -1.150   2.071
   68    HG   LEU   9           HG       LEU   9  -1.246   1.108   3.701
   69   1HD1  LEU   9          1HD1      LEU   9   1.208   0.117   2.316
   70   2HD1  LEU   9          2HD1      LEU   9   0.323  -0.935   3.420
   71   3HD1  LEU   9          3HD1      LEU   9   0.985   0.594   4.000
   72   1HD2  LEU   9          1HD2      LEU   9  -1.059   2.866   2.334
   73   2HD2  LEU   9          2HD2      LEU   9  -0.750   1.850   0.925
   74   3HD2  LEU   9          3HD2      LEU   9   0.571   2.276   2.012
   75    H    CYS  10           H        CYS  10  -0.921  -2.087   0.198
   76    HA   CYS  10           HA       CYS  10  -3.108  -3.695  -0.355
   77   1HB   CYS  10          2HB       CYS  10  -3.208  -2.031  -2.334
   78   2HB   CYS  10          1HB       CYS  10  -1.810  -2.907  -2.946
   79    H    ILE  11           H        ILE  11  -2.282  -5.532  -2.083
   80    HA   ILE  11           HA       ILE  11   0.525  -6.082  -1.523
   81    HB   ILE  11           HB       ILE  11  -1.309  -8.382  -1.257
   82   1HG1  ILE  11          2HG1      ILE  11  -0.880  -6.646   1.152
   83   2HG1  ILE  11          1HG1      ILE  11  -2.241  -6.345   0.076
   84   1HG2  ILE  11          1HG2      ILE  11   0.381  -8.790   0.655
   85   2HG2  ILE  11          2HG2      ILE  11   1.293  -7.477  -0.089
   86   3HG2  ILE  11          3HG2      ILE  11   0.934  -8.935  -1.013
   87   1HD1  ILE  11          1HD1      ILE  11  -2.233  -9.105   0.626
   88   2HD1  ILE  11          2HD1      ILE  11  -3.391  -7.886   1.158
   89   3HD1  ILE  11          3HD1      ILE  11  -1.989  -8.266   2.159
   90    HA   PRO  12           HA       PRO  12   0.248  -7.134  -5.846
   91   1HB   PRO  12          2HB       PRO  12   2.799  -8.054  -6.099
   92   2HB   PRO  12          1HB       PRO  12   2.390  -6.336  -6.054
   93   1HG   PRO  12          2HG       PRO  12   3.408  -8.100  -3.861
   94   2HG   PRO  12          1HG       PRO  12   3.882  -6.442  -4.275
   95   1HD   PRO  12          2HD       PRO  12   2.191  -6.995  -2.242
   96   2HD   PRO  12          1HD       PRO  12   2.048  -5.519  -3.219
   97    H    TYR  13           H        TYR  13  -0.515  -9.042  -3.635
   98    HA   TYR  13           HA       TYR  13  -0.617 -11.401  -5.238
   99   1HB   TYR  13          2HB       TYR  13   0.918 -11.661  -2.651
  100   2HB   TYR  13          1HB       TYR  13   0.671 -12.891  -3.886
  101    HD1  TYR  13           HD1      TYR  13   1.876 -12.731  -6.048
  102    HD2  TYR  13           HD2      TYR  13   2.663 -10.043  -2.844
  103    HE1  TYR  13           HE1      TYR  13   3.990 -12.078  -7.122
  104    HE2  TYR  13           HE2      TYR  13   4.779  -9.382  -3.911
  105    HH   TYR  13           HH       TYR  13   5.573  -9.492  -6.646
  106    H    TYR  14           H        TYR  14  -2.268  -9.474  -3.649
  107    HA   TYR  14           HA       TYR  14  -3.901 -11.489  -2.300
  108   1HB   TYR  14          2HB       TYR  14  -2.466  -9.316  -0.980
  109   2HB   TYR  14          1HB       TYR  14  -4.197  -9.275  -0.659
  110    HD1  TYR  14           HD1      TYR  14  -5.144 -10.721   0.924
  111    HD2  TYR  14           HD2      TYR  14  -1.218 -11.493  -0.522
  112    HE1  TYR  14           HE1      TYR  14  -4.867 -12.472   2.627
  113    HE2  TYR  14           HE2      TYR  14  -0.931 -13.247   1.176
  114    HH   TYR  14           HH       TYR  14  -1.962 -13.742   3.504
  115    H    LEU  15           H        LEU  15  -4.010  -7.944  -2.435
  116    HA   LEU  15           HA       LEU  15  -6.650  -8.153  -3.716
  117   1HB   LEU  15          2HB       LEU  15  -6.017  -5.529  -2.693
  118   2HB   LEU  15          1HB       LEU  15  -7.374  -6.574  -2.318
  119    HG   LEU  15           HG       LEU  15  -5.732  -7.818  -0.771
  120   1HD1  LEU  15          1HD1      LEU  15  -4.198  -5.594  -0.044
  121   2HD1  LEU  15          2HD1      LEU  15  -4.039  -5.739  -1.795
  122   3HD1  LEU  15          3HD1      LEU  15  -3.633  -7.105  -0.756
  123   1HD2  LEU  15          1HD2      LEU  15  -5.982  -5.762   0.901
  124   2HD2  LEU  15          2HD2      LEU  15  -7.349  -6.770   0.424
  125   3HD2  LEU  15          3HD2      LEU  15  -7.082  -5.217  -0.366
  126    H    ASP  16           H        ASP  16  -7.141  -5.953  -4.930
  127    HA   ASP  16           HA       ASP  16  -4.815  -5.138  -6.514
  128   1HB   ASP  16          2HB       ASP  16  -5.850  -5.565  -8.597
  129   2HB   ASP  16          1HB       ASP  16  -6.127  -7.020  -7.643
  130    H    CYS  17           H        CYS  17  -5.313  -3.213  -7.897
  131    HA   CYS  17           HA       CYS  17  -6.869  -1.326  -6.339
  132   1HB   CYS  17          2HB       CYS  17  -5.161  -0.804  -8.774
  133   2HB   CYS  17          1HB       CYS  17  -5.739   0.371  -7.607
  134    H    CYS  18           H        CYS  18  -8.242   0.270  -7.478
  135    HA   CYS  18           HA       CYS  18 -10.300  -0.969  -8.889
  136   1HB   CYS  18          2HB       CYS  18  -9.905   1.952  -9.261
  137   2HB   CYS  18          1HB       CYS  18 -11.360   1.051  -8.847
  138    H    GLU  19           H        GLU  19  -8.570   1.772 -10.288
  139    HA   GLU  19           HA       GLU  19  -7.277   0.691 -12.409
  140   1HB   GLU  19          2HB       GLU  19  -9.910  -0.038 -12.704
  141   2HB   GLU  19          1HB       GLU  19  -9.805   1.396 -13.716
  142   1HG   GLU  19          2HG       GLU  19  -7.534  -0.139 -14.303
  143   2HG   GLU  19          1HG       GLU  19  -8.890  -1.264 -14.234
  144    HA   PRO  20           HA       PRO  20  -6.618   1.100 -14.275
  145   1HB   PRO  20          2HB       PRO  20  -4.592   2.335 -15.490
  146   2HB   PRO  20          1HB       PRO  20  -6.252   2.525 -16.070
  147   1HG   PRO  20          2HG       PRO  20  -4.583   4.396 -14.447
  148   2HG   PRO  20          1HG       PRO  20  -5.730   4.757 -15.750
  149   1HD   PRO  20          2HD       PRO  20  -6.267   4.941 -13.021
  150   2HD   PRO  20          1HD       PRO  20  -7.485   4.858 -14.307
  151    H    LEU  21           H        LEU  21  -5.838   2.611 -11.550
  152    HA   LEU  21           HA       LEU  21  -3.121   2.373 -11.120
  153   1HB   LEU  21          2HB       LEU  21  -5.236   1.702  -9.080
  154   2HB   LEU  21          1HB       LEU  21  -3.608   2.275  -8.770
  155    HG   LEU  21           HG       LEU  21  -5.496   3.989 -10.334
  156   1HD1  LEU  21          1HD1      LEU  21  -5.911   3.120  -7.623
  157   2HD1  LEU  21          2HD1      LEU  21  -6.915   4.157  -8.636
  158   3HD1  LEU  21          3HD1      LEU  21  -5.607   4.856  -7.683
  159   1HD2  LEU  21          1HD2      LEU  21  -3.446   4.997 -10.327
  160   2HD2  LEU  21          2HD2      LEU  21  -2.988   4.309  -8.768
  161   3HD2  LEU  21          3HD2      LEU  21  -4.113   5.665  -8.838
  162    H    GLU  22           H        GLU  22  -2.094   0.735  -9.588
  163    HA   GLU  22           HA       GLU  22  -3.017  -1.994 -10.141
  164   1HB   GLU  22          2HB       GLU  22  -1.307  -1.526 -11.803
  165   2HB   GLU  22          1HB       GLU  22  -0.202  -0.973 -10.552
  166   1HG   GLU  22          2HG       GLU  22   0.590  -3.027 -10.392
  167   2HG   GLU  22          1HG       GLU  22  -0.987  -3.566  -9.818
  168    H    CYS  23           H        CYS  23  -2.898  -3.330  -8.438
  169    HA   CYS  23           HA       CYS  23  -2.078  -2.269  -5.895
  170   1HB   CYS  23          2HB       CYS  23  -4.018  -3.601  -5.809
  171   2HB   CYS  23          1HB       CYS  23  -3.302  -4.865  -6.804
  172    H    LYS  24           H        LYS  24   0.187  -1.983  -6.179
  173    HA   LYS  24           HA       LYS  24   1.698  -4.400  -5.629
  174   1HB   LYS  24          2HB       LYS  24   3.438  -3.497  -7.392
  175   2HB   LYS  24          1HB       LYS  24   2.126  -4.561  -7.876
  176   1HG   LYS  24          2HG       LYS  24   1.557  -3.047  -9.386
  177   2HG   LYS  24          1HG       LYS  24   1.075  -1.987  -8.060
  178   1HD   LYS  24          2HD       LYS  24   2.633  -0.868  -9.581
  179   2HD   LYS  24          1HD       LYS  24   3.331  -1.058  -7.971
  180   1HE   LYS  24          2HE       LYS  24   4.749  -2.792  -8.670
  181   2HE   LYS  24          1HE       LYS  24   3.837  -3.054 -10.156
  182   1HZ   LYS  24          1HZ       LYS  24   5.820  -1.918 -10.723
  183   2HZ   LYS  24          2HZ       LYS  24   5.602  -0.760  -9.509
  184   3HZ   LYS  24          3HZ       LYS  24   4.567  -0.787 -10.847
  185    H    LYS  25           H        LYS  25   4.247  -3.367  -5.906
  186    HA   LYS  25           HA       LYS  25   4.472  -1.800  -3.536
  187   1HB   LYS  25          2HB       LYS  25   6.124  -3.524  -4.777
  188   2HB   LYS  25          1HB       LYS  25   6.790  -2.008  -5.369
  189   1HG   LYS  25          2HG       LYS  25   7.419  -1.306  -3.254
  190   2HG   LYS  25          1HG       LYS  25   6.295  -2.403  -2.448
  191   1HD   LYS  25          2HD       LYS  25   8.842  -2.945  -2.464
  192   2HD   LYS  25          1HD       LYS  25   7.671  -4.237  -2.739
  193   1HE   LYS  25          2HE       LYS  25   8.018  -3.446  -5.264
  194   2HE   LYS  25          1HE       LYS  25   9.585  -2.968  -4.612
  195   1HZ   LYS  25          1HZ       LYS  25   9.977  -5.119  -5.258
  196   2HZ   LYS  25          2HZ       LYS  25   8.421  -5.654  -4.867
  197   3HZ   LYS  25          3HZ       LYS  25   9.546  -5.359  -3.639
  198    H    VAL  26           H        VAL  26   4.552   0.326  -3.287
  199    HA   VAL  26           HA       VAL  26   4.400   2.032  -5.637
  200    HB   VAL  26           HB       VAL  26   4.437   3.192  -2.903
  201   1HG1  VAL  26          1HG1      VAL  26   2.637   4.567  -3.846
  202   2HG1  VAL  26          2HG1      VAL  26   2.707   3.622  -5.334
  203   3HG1  VAL  26          3HG1      VAL  26   4.089   4.603  -4.845
  204   1HG2  VAL  26          1HG2      VAL  26   3.128   1.301  -2.377
  205   2HG2  VAL  26          2HG2      VAL  26   2.267   1.371  -3.914
  206   3HG2  VAL  26          3HG2      VAL  26   1.980   2.602  -2.685
  207    H    ASN  27           H        ASN  27   6.645   1.012  -3.266
  208    HA   ASN  27           HA       ASN  27   8.687   2.760  -4.403
  209   1HB   ASN  27          2HB       ASN  27   8.928   2.415  -1.515
  210   2HB   ASN  27          1HB       ASN  27   9.206   3.839  -2.502
  211   1HD2  ASN  27          1HD2      ASN  27   7.360   2.640  -0.105
  212   2HD2  ASN  27          2HD2      ASN  27   5.945   3.612  -0.298
  213    H    TRP  28           H        TRP  28   9.380   1.159  -1.474
  214    HA   TRP  28           HA       TRP  28  10.380  -1.235  -2.805
  215   1HB   TRP  28          2HB       TRP  28  12.592  -0.881  -2.400
  216   2HB   TRP  28          1HB       TRP  28  12.111   0.813  -2.448
  217    HD1  TRP  28           HD1      TRP  28  10.821   1.087   0.415
  218    HE1  TRP  28           HE1      TRP  28  12.307   0.990   2.516
  219    HE3  TRP  28           HE3      TRP  28  14.865  -1.337  -1.565
  220    HZ2  TRP  28           HZ2      TRP  28  14.862   0.019   3.234
  221    HZ3  TRP  28           HZ3      TRP  28  16.789  -1.810  -0.105
  222    HH2  TRP  28           HH2      TRP  28  16.786  -1.144   2.244
  223    H    TRP  29           H        TRP  29   9.077   0.387  -0.137
  224    HA   TRP  29           HA       TRP  29   9.104  -2.100   1.429
  225   1HB   TRP  29          2HB       TRP  29   9.879  -1.100   3.320
  226   2HB   TRP  29          1HB       TRP  29  10.615   0.005   2.165
  227    HD1  TRP  29           HD1      TRP  29   7.461  -0.236   4.387
  228    HE1  TRP  29           HE1      TRP  29   6.740   2.152   5.017
  229    HE3  TRP  29           HE3      TRP  29  10.852   2.390   1.610
  230    HZ2  TRP  29           HZ2      TRP  29   7.507   4.801   4.415
  231    HZ3  TRP  29           HZ3      TRP  29  10.790   4.849   1.691
  232    HH2  TRP  29           HH2      TRP  29   9.152   6.027   3.064
  233    H    ASP  30           H        ASP  30   7.470   0.812   0.447
  234    HA   ASP  30           HA       ASP  30   5.083   0.073   1.975
  235   1HB   ASP  30          2HB       ASP  30   6.251   2.530   1.457
  236   2HB   ASP  30          1HB       ASP  30   4.882   2.485   0.350
  237    H    HIS  31           H        HIS  31   3.773  -1.308   0.977
  238    HA   HIS  31           HA       HIS  31   3.564  -1.297  -1.931
  239   1HB   HIS  31          2HB       HIS  31   2.850  -3.208   0.250
  240   2HB   HIS  31          1HB       HIS  31   1.969  -3.306  -1.269
  241    HD1  HIS  31           HD1      HIS  31   5.575  -3.336  -0.067
  242    HD2  HIS  31           HD2      HIS  31   3.213  -4.823  -3.147
  243    HE1  HIS  31           HE1      HIS  31   7.083  -4.836  -1.408
  244    HE2  HIS  31           HE2      HIS  31   5.608  -5.798  -3.207
  245    H    LYS  32           H        LYS  32   2.018  -0.140  -2.897
  246    HA   LYS  32           HA       LYS  32  -0.620   0.026  -1.670
  247   1HB   LYS  32          2HB       LYS  32   0.744   2.505  -2.707
  248   2HB   LYS  32          1HB       LYS  32  -0.774   2.395  -1.826
  249   1HG   LYS  32          2HG       LYS  32   0.492   1.600   0.153
  250   2HG   LYS  32          1HG       LYS  32   1.987   1.882  -0.744
  251   1HD   LYS  32          2HD       LYS  32  -0.061   4.044  -0.361
  252   2HD   LYS  32          1HD       LYS  32   1.186   3.723   0.846
  253   1HE   LYS  32          2HE       LYS  32   1.861   4.185  -2.044
  254   2HE   LYS  32          1HE       LYS  32   1.656   5.525  -0.916
  255   1HZ   LYS  32          1HZ       LYS  32   3.322   3.960   0.453
  256   2HZ   LYS  32          2HZ       LYS  32   3.837   5.196  -0.580
  257   3HZ   LYS  32          3HZ       LYS  32   3.808   3.594  -1.126
  258    H    CYS  33           H        CYS  33  -1.310   2.162  -3.579
  259    HA   CYS  33           HA       CYS  33  -1.537   0.502  -5.988
  260   1HB   CYS  33          2HB       CYS  33  -3.345   2.467  -4.648
  261   2HB   CYS  33          1HB       CYS  33  -3.490   2.208  -6.378
  262    H    ILE  34           H        ILE  34  -0.787   1.245  -7.892
  263    HA   ILE  34           HA       ILE  34   0.225   4.010  -7.968
  264    HB   ILE  34           HB       ILE  34   1.640   2.813  -9.927
  265   1HG1  ILE  34          2HG1      ILE  34   0.542   0.612  -9.140
  266   2HG1  ILE  34          1HG1      ILE  34   2.282   0.618  -9.402
  267   1HG2  ILE  34          1HG2      ILE  34   3.515   2.932  -8.467
  268   2HG2  ILE  34          2HG2      ILE  34   2.493   2.744  -7.041
  269   3HG2  ILE  34          3HG2      ILE  34   2.409   4.222  -7.998
  270   1HD1  ILE  34          1HD1      ILE  34   0.845   0.777  -6.767
  271   2HD1  ILE  34          2HD1      ILE  34   2.588   0.958  -6.966
  272   3HD1  ILE  34          3HD1      ILE  34   1.806  -0.565  -7.386
  273    H    GLY  35           HN       GLY  35   0.695   4.499 -10.497
  274   1HA   GLY  35          2HA       GLY  35  -0.268   4.167 -12.728
  275   2HA   GLY  35          1HA       GLY  35  -1.802   3.850 -11.933
  Start of MODEL   11
    1    HN   PCA   1           HN       PCA   1 -13.297  -8.879  -5.367
    2    HA   PCA   1           HA       PCA   1 -12.948  -8.251  -2.884
    3   1HB   PCA   1          1HB       PCA   1 -10.036  -7.837  -3.520
    4   2HB   PCA   1          2HB       PCA   1 -10.788  -8.547  -2.061
    5   1HG   PCA   1          1HG       PCA   1  -9.595 -10.055  -4.088
    6   2HG   PCA   1          2HG       PCA   1 -10.872 -10.681  -2.999
    7    H    GLN   2           H        GLN   2 -13.395  -6.167  -2.516
    8    HA   GLN   2           HA       GLN   2 -13.877  -4.266  -4.322
    9   1HB   GLN   2          2HB       GLN   2 -12.963  -2.636  -2.376
   10   2HB   GLN   2          1HB       GLN   2 -14.505  -3.476  -2.296
   11   1HG   GLN   2          2HG       GLN   2 -13.450  -5.275  -1.011
   12   2HG   GLN   2          1HG       GLN   2 -11.916  -4.407  -1.075
   13   1HE2  GLN   2          1HE2      GLN   2 -14.774  -2.538  -0.826
   14   2HE2  GLN   2          2HE2      GLN   2 -14.631  -2.127   0.844
   15    H    CYS   3           H        CYS   3 -12.820  -2.439  -5.211
   16    HA   CYS   3           HA       CYS   3 -10.220  -2.943  -6.189
   17   1HB   CYS   3          2HB       CYS   3 -10.472  -1.019  -7.447
   18   2HB   CYS   3          1HB       CYS   3 -12.156  -1.415  -7.132
   19    H    VAL   4           H        VAL   4  -9.126  -0.323  -6.063
   20    HA   VAL   4           HA       VAL   4  -8.666   0.387  -3.319
   21    HB   VAL   4           HB       VAL   4  -6.292  -0.621  -4.876
   22   1HG1  VAL   4          1HG1      VAL   4  -6.395  -0.200  -1.922
   23   2HG1  VAL   4          2HG1      VAL   4  -6.168   1.179  -2.997
   24   3HG1  VAL   4          3HG1      VAL   4  -5.012  -0.153  -3.016
   25   1HG2  VAL   4          1HG2      VAL   4  -7.196  -2.085  -2.479
   26   2HG2  VAL   4          2HG2      VAL   4  -6.462  -2.685  -3.965
   27   3HG2  VAL   4          3HG2      VAL   4  -8.177  -2.282  -3.929
   28    H    LYS   5           H        LYS   5  -8.330   2.498  -3.254
   29    HA   LYS   5           HA       LYS   5  -8.002   3.969  -5.693
   30   1HB   LYS   5          2HB       LYS   5  -9.114   4.465  -3.163
   31   2HB   LYS   5          1HB       LYS   5  -7.788   5.600  -3.345
   32   1HG   LYS   5          2HG       LYS   5  -9.525   6.796  -4.234
   33   2HG   LYS   5          1HG       LYS   5  -8.853   6.042  -5.681
   34   1HD   LYS   5          2HD       LYS   5 -10.821   4.353  -4.379
   35   2HD   LYS   5          1HD       LYS   5 -11.488   5.923  -4.827
   36   1HE   LYS   5          2HE       LYS   5 -11.347   3.814  -6.501
   37   2HE   LYS   5          1HE       LYS   5 -11.350   5.495  -7.035
   38   1HZ   LYS   5          1HZ       LYS   5  -9.124   3.590  -6.904
   39   2HZ   LYS   5          2HZ       LYS   5  -8.788   5.234  -6.694
   40   3HZ   LYS   5          3HZ       LYS   5  -9.524   4.698  -8.120
   41    H    LYS   6           H        LYS   6  -6.376   5.607  -6.031
   42    HA   LYS   6           HA       LYS   6  -3.757   4.685  -5.634
   43   1HB   LYS   6          2HB       LYS   6  -3.823   6.090  -7.435
   44   2HB   LYS   6          1HB       LYS   6  -5.007   7.160  -6.694
   45   1HG   LYS   6          2HG       LYS   6  -3.146   8.497  -6.750
   46   2HG   LYS   6          1HG       LYS   6  -3.031   7.811  -5.128
   47   1HD   LYS   6          2HD       LYS   6  -1.181   6.615  -5.626
   48   2HD   LYS   6          1HD       LYS   6  -1.734   6.249  -7.261
   49   1HE   LYS   6          2HE       LYS   6  -1.298   8.902  -7.478
   50   2HE   LYS   6          1HE       LYS   6  -0.088   8.484  -6.267
   51   1HZ   LYS   6          1HZ       LYS   6   0.797   6.818  -7.765
   52   2HZ   LYS   6          2HZ       LYS   6   0.797   8.334  -8.514
   53   3HZ   LYS   6          3HZ       LYS   6  -0.379   7.189  -8.924
   54    H    ASP   7           H        ASP   7  -2.126   5.304  -4.246
   55    HA   ASP   7           HA       ASP   7  -1.121   6.399  -2.469
   56   1HB   ASP   7          2HB       ASP   7  -2.866   8.270  -2.976
   57   2HB   ASP   7          1HB       ASP   7  -3.748   7.577  -1.619
   58    H    GLU   8           H        GLU   8  -3.860   4.419  -2.474
   59    HA   GLU   8           HA       GLU   8  -3.759   3.835   0.374
   60   1HB   GLU   8          2HB       GLU   8  -5.436   2.522  -1.771
   61   2HB   GLU   8          1HB       GLU   8  -5.654   2.380  -0.033
   62   1HG   GLU   8          2HG       GLU   8  -6.186   4.762   0.094
   63   2HG   GLU   8          1HG       GLU   8  -5.978   4.896  -1.651
   64    H    LEU   9           H        LEU   9  -3.091   1.887   1.252
   65    HA   LEU   9           HA       LEU   9  -0.928   0.616   0.022
   66   1HB   LEU   9          2HB       LEU   9  -2.654  -0.166   2.359
   67   2HB   LEU   9          1HB       LEU   9  -1.214  -1.048   1.892
   68    HG   LEU   9           HG       LEU   9  -1.344   1.060   3.673
   69   1HD1  LEU   9          1HD1      LEU   9   0.352  -0.581   3.788
   70   2HD1  LEU   9          2HD1      LEU   9   1.163   0.961   3.518
   71   3HD1  LEU   9          3HD1      LEU   9   0.954  -0.172   2.183
   72   1HD2  LEU   9          1HD2      LEU   9  -0.082   2.871   2.691
   73   2HD2  LEU   9          2HD2      LEU   9  -1.573   2.626   1.783
   74   3HD2  LEU   9          3HD2      LEU   9  -0.041   2.037   1.137
   75    H    CYS  10           H        CYS  10  -0.947  -1.958   0.105
   76    HA   CYS  10           HA       CYS  10  -3.132  -3.464  -0.646
   77   1HB   CYS  10          2HB       CYS  10  -2.838  -1.667  -2.613
   78   2HB   CYS  10          1HB       CYS  10  -1.697  -2.879  -3.184
   79    H    ILE  11           H        ILE  11  -2.330  -5.401  -2.167
   80    HA   ILE  11           HA       ILE  11   0.479  -5.986  -1.644
   81    HB   ILE  11           HB       ILE  11  -1.470  -8.138  -1.005
   82   1HG1  ILE  11          2HG1      ILE  11  -2.050  -5.901   0.213
   83   2HG1  ILE  11          1HG1      ILE  11  -1.968  -7.396   1.139
   84   1HG2  ILE  11          1HG2      ILE  11   1.246  -7.976  -1.023
   85   2HG2  ILE  11          2HG2      ILE  11   0.315  -9.153  -0.098
   86   3HG2  ILE  11          3HG2      ILE  11   0.885  -7.676   0.677
   87   1HD1  ILE  11          1HD1      ILE  11  -0.446  -6.504   2.464
   88   2HD1  ILE  11          2HD1      ILE  11  -0.562  -4.993   1.559
   89   3HD1  ILE  11          3HD1      ILE  11   0.618  -6.216   1.087
   90    HA   PRO  12           HA       PRO  12  -0.101  -7.366  -5.871
   91   1HB   PRO  12          2HB       PRO  12   2.653  -8.374  -5.468
   92   2HB   PRO  12          1HB       PRO  12   2.029  -7.282  -6.707
   93   1HG   PRO  12          2HG       PRO  12   3.566  -6.383  -4.710
   94   2HG   PRO  12          1HG       PRO  12   2.225  -5.418  -5.353
   95   1HD   PRO  12          2HD       PRO  12   2.370  -7.023  -2.833
   96   2HD   PRO  12          1HD       PRO  12   1.602  -5.449  -3.126
   97    H    TYR  13           H        TYR  13  -0.332  -9.008  -3.205
   98    HA   TYR  13           HA       TYR  13  -0.693 -11.559  -4.548
   99   1HB   TYR  13          2HB       TYR  13   0.688 -11.811  -1.946
  100   2HB   TYR  13          1HB       TYR  13   0.851 -12.780  -3.406
  101    HD1  TYR  13           HD1      TYR  13   2.598 -10.723  -1.287
  102    HD2  TYR  13           HD2      TYR  13   1.903 -11.272  -5.448
  103    HE1  TYR  13           HE1      TYR  13   4.725  -9.594  -1.785
  104    HE2  TYR  13           HE2      TYR  13   4.028 -10.145  -5.957
  105    HH   TYR  13           HH       TYR  13   5.521  -8.365  -4.679
  106    H    TYR  14           H        TYR  14  -2.336  -9.450  -3.285
  107    HA   TYR  14           HA       TYR  14  -3.890 -11.210  -1.552
  108   1HB   TYR  14          2HB       TYR  14  -2.380  -8.904  -0.635
  109   2HB   TYR  14          1HB       TYR  14  -4.098  -8.736  -0.287
  110    HD1  TYR  14           HD1      TYR  14  -1.024 -10.456   0.549
  111    HD2  TYR  14           HD2      TYR  14  -5.239 -10.436   1.125
  112    HE1  TYR  14           HE1      TYR  14  -0.758 -11.923   2.503
  113    HE2  TYR  14           HE2      TYR  14  -4.985 -11.903   3.082
  114    HH   TYR  14           HH       TYR  14  -1.821 -13.190   4.015
  115    H    LEU  15           H        LEU  15  -4.205  -7.726  -1.905
  116    HA   LEU  15           HA       LEU  15  -6.809  -8.148  -3.182
  117   1HB   LEU  15          2HB       LEU  15  -6.399  -5.418  -2.531
  118   2HB   LEU  15          1HB       LEU  15  -7.525  -6.554  -1.812
  119    HG   LEU  15           HG       LEU  15  -5.382  -7.281  -0.446
  120   1HD1  LEU  15          1HD1      LEU  15  -4.139  -5.437  -1.865
  121   2HD1  LEU  15          2HD1      LEU  15  -3.730  -5.735  -0.177
  122   3HD1  LEU  15          3HD1      LEU  15  -4.774  -4.380  -0.604
  123   1HD2  LEU  15          1HD2      LEU  15  -7.123  -6.634   0.869
  124   2HD2  LEU  15          2HD2      LEU  15  -7.376  -5.130  -0.015
  125   3HD2  LEU  15          3HD2      LEU  15  -6.046  -5.264   1.135
  126    H    ASP  16           H        ASP  16  -7.328  -5.900  -4.477
  127    HA   ASP  16           HA       ASP  16  -5.101  -5.353  -6.301
  128   1HB   ASP  16          2HB       ASP  16  -7.835  -5.878  -7.428
  129   2HB   ASP  16          1HB       ASP  16  -6.276  -5.913  -8.244
  130    H    CYS  17           H        CYS  17  -5.430  -3.424  -7.613
  131    HA   CYS  17           HA       CYS  17  -6.896  -1.408  -6.133
  132   1HB   CYS  17          2HB       CYS  17  -5.062  -1.119  -8.520
  133   2HB   CYS  17          1HB       CYS  17  -5.676   0.183  -7.519
  134    H    CYS  18           H        CYS  18  -8.116   0.263  -7.378
  135    HA   CYS  18           HA       CYS  18 -10.203  -0.936  -8.829
  136   1HB   CYS  18          2HB       CYS  18  -9.729   1.978  -9.153
  137   2HB   CYS  18          1HB       CYS  18 -11.215   1.106  -8.793
  138    H    GLU  19           H        GLU  19  -8.437   1.807 -10.160
  139    HA   GLU  19           HA       GLU  19  -7.007   0.832 -12.203
  140   1HB   GLU  19          2HB       GLU  19  -9.527  -0.185 -12.594
  141   2HB   GLU  19          1HB       GLU  19  -9.532   1.227 -13.642
  142   1HG   GLU  19          2HG       GLU  19  -7.090  -0.287 -13.926
  143   2HG   GLU  19          1HG       GLU  19  -8.512  -1.286 -14.221
  144    HA   PRO  20           HA       PRO  20  -6.447   1.278 -14.246
  145   1HB   PRO  20          2HB       PRO  20  -4.383   2.674 -15.243
  146   2HB   PRO  20          1HB       PRO  20  -5.995   2.756 -15.965
  147   1HG   PRO  20          2HG       PRO  20  -4.637   4.689 -14.132
  148   2HG   PRO  20          1HG       PRO  20  -5.641   5.012 -15.556
  149   1HD   PRO  20          2HD       PRO  20  -6.543   5.153 -12.959
  150   2HD   PRO  20          1HD       PRO  20  -7.586   4.857 -14.363
  151    H    LEU  21           H        LEU  21  -5.785   2.926 -11.485
  152    HA   LEU  21           HA       LEU  21  -3.143   2.693 -10.866
  153   1HB   LEU  21          2HB       LEU  21  -5.382   1.895  -9.010
  154   2HB   LEU  21          1HB       LEU  21  -3.785   2.450  -8.547
  155    HG   LEU  21           HG       LEU  21  -5.612   4.215 -10.143
  156   1HD1  LEU  21          1HD1      LEU  21  -5.771   3.515  -7.262
  157   2HD1  LEU  21          2HD1      LEU  21  -7.053   3.934  -8.399
  158   3HD1  LEU  21          3HD1      LEU  21  -6.020   5.196  -7.729
  159   1HD2  LEU  21          1HD2      LEU  21  -3.438   4.837  -8.152
  160   2HD2  LEU  21          2HD2      LEU  21  -4.288   5.980  -9.192
  161   3HD2  LEU  21          3HD2      LEU  21  -3.209   4.778  -9.900
  162    H    GLU  22           H        GLU  22  -2.213   1.028  -9.247
  163    HA   GLU  22           HA       GLU  22  -2.933  -1.701 -10.056
  164   1HB   GLU  22          2HB       GLU  22  -0.878  -0.622 -11.270
  165   2HB   GLU  22          1HB       GLU  22  -0.049  -0.951  -9.754
  166   1HG   GLU  22          2HG       GLU  22   0.177  -3.098 -10.245
  167   2HG   GLU  22          1HG       GLU  22  -1.530  -3.256 -10.655
  168    H    CYS  23           H        CYS  23  -2.493  -3.312  -8.549
  169    HA   CYS  23           HA       CYS  23  -2.166  -2.340  -5.810
  170   1HB   CYS  23          2HB       CYS  23  -4.128  -3.711  -6.215
  171   2HB   CYS  23          1HB       CYS  23  -3.135  -4.987  -6.910
  172    H    LYS  24           H        LYS  24   0.168  -2.008  -6.249
  173    HA   LYS  24           HA       LYS  24   1.644  -4.390  -5.480
  174   1HB   LYS  24          2HB       LYS  24   3.367  -3.966  -7.265
  175   2HB   LYS  24          1HB       LYS  24   1.831  -4.600  -7.843
  176   1HG   LYS  24          2HG       LYS  24   2.181  -2.963  -9.380
  177   2HG   LYS  24          1HG       LYS  24   1.286  -2.044  -8.168
  178   1HD   LYS  24          2HD       LYS  24   3.018  -0.685  -7.831
  179   2HD   LYS  24          1HD       LYS  24   4.100  -2.052  -7.557
  180   1HE   LYS  24          2HE       LYS  24   5.013  -1.834  -9.577
  181   2HE   LYS  24          1HE       LYS  24   3.431  -1.785 -10.355
  182   1HZ   LYS  24          1HZ       LYS  24   4.168   0.628  -8.938
  183   2HZ   LYS  24          2HZ       LYS  24   3.466   0.440 -10.464
  184   3HZ   LYS  24          3HZ       LYS  24   5.139   0.274 -10.279
  185    H    LYS  25           H        LYS  25   4.172  -3.591  -5.600
  186    HA   LYS  25           HA       LYS  25   4.449  -1.813  -3.448
  187   1HB   LYS  25          2HB       LYS  25   6.140  -3.465  -3.885
  188   2HB   LYS  25          1HB       LYS  25   6.451  -2.795  -5.481
  189   1HG   LYS  25          2HG       LYS  25   7.393  -0.805  -4.522
  190   2HG   LYS  25          1HG       LYS  25   6.949  -1.333  -2.898
  191   1HD   LYS  25          2HD       LYS  25   8.900  -2.714  -4.741
  192   2HD   LYS  25          1HD       LYS  25   9.319  -1.728  -3.337
  193   1HE   LYS  25          2HE       LYS  25   8.999  -3.436  -1.946
  194   2HE   LYS  25          1HE       LYS  25   7.417  -3.786  -2.641
  195   1HZ   LYS  25          1HZ       LYS  25  10.048  -4.875  -3.388
  196   2HZ   LYS  25          2HZ       LYS  25   8.800  -4.837  -4.528
  197   3HZ   LYS  25          3HZ       LYS  25   8.598  -5.694  -3.085
  198    H    VAL  26           H        VAL  26   4.506   0.313  -3.320
  199    HA   VAL  26           HA       VAL  26   4.390   1.901  -5.753
  200    HB   VAL  26           HB       VAL  26   4.388   3.220  -3.100
  201   1HG1  VAL  26          1HG1      VAL  26   2.160   3.987  -4.516
  202   2HG1  VAL  26          2HG1      VAL  26   3.338   3.639  -5.781
  203   3HG1  VAL  26          3HG1      VAL  26   3.721   4.809  -4.517
  204   1HG2  VAL  26          1HG2      VAL  26   3.057   0.942  -3.057
  205   2HG2  VAL  26          2HG2      VAL  26   1.842   1.905  -3.896
  206   3HG2  VAL  26          3HG2      VAL  26   2.411   2.397  -2.301
  207    H    ASN  27           H        ASN  27   6.598   1.020  -3.279
  208    HA   ASN  27           HA       ASN  27   8.618   2.798  -4.440
  209   1HB   ASN  27          2HB       ASN  27   9.058   2.442  -1.620
  210   2HB   ASN  27          1HB       ASN  27   8.969   3.928  -2.552
  211   1HD2  ASN  27          1HD2      ASN  27   6.895   1.412  -1.174
  212   2HD2  ASN  27          2HD2      ASN  27   5.609   2.476  -0.729
  213    H    TRP  28           H        TRP  28   9.585   1.274  -1.607
  214    HA   TRP  28           HA       TRP  28  10.625  -1.054  -3.056
  215   1HB   TRP  28          2HB       TRP  28  12.798  -0.649  -2.495
  216   2HB   TRP  28          1HB       TRP  28  12.235   1.021  -2.489
  217    HD1  TRP  28           HD1      TRP  28  10.809   1.101   0.325
  218    HE1  TRP  28           HE1      TRP  28  12.211   0.976   2.481
  219    HE3  TRP  28           HE3      TRP  28  15.039  -1.045  -1.581
  220    HZ2  TRP  28           HZ2      TRP  28  14.774   0.086   3.268
  221    HZ3  TRP  28           HZ3      TRP  28  16.920  -1.499  -0.062
  222    HH2  TRP  28           HH2      TRP  28  16.789  -0.944   2.313
  223    H    TRP  29           H        TRP  29   9.142   0.259  -0.301
  224    HA   TRP  29           HA       TRP  29   9.162  -2.380   0.984
  225   1HB   TRP  29          2HB       TRP  29   9.901  -1.630   3.005
  226   2HB   TRP  29          1HB       TRP  29  10.705  -0.431   1.997
  227    HD1  TRP  29           HD1      TRP  29   7.449  -0.788   4.069
  228    HE1  TRP  29           HE1      TRP  29   6.819   1.541   4.965
  229    HE3  TRP  29           HE3      TRP  29  11.098   1.976   1.790
  230    HZ2  TRP  29           HZ2      TRP  29   7.744   4.197   4.735
  231    HZ3  TRP  29           HZ3      TRP  29  11.154   4.405   2.179
  232    HH2  TRP  29           HH2      TRP  29   9.510   5.492   3.621
  233    H    ASP  30           H        ASP  30   7.571   0.655   0.350
  234    HA   ASP  30           HA       ASP  30   5.183  -0.165   1.808
  235   1HB   ASP  30          2HB       ASP  30   6.348   2.312   1.282
  236   2HB   ASP  30          1HB       ASP  30   4.919   2.271   0.256
  237    H    HIS  31           H        HIS  31   3.685  -1.347   0.832
  238    HA   HIS  31           HA       HIS  31   3.522  -1.313  -2.094
  239   1HB   HIS  31          2HB       HIS  31   2.866  -3.301   0.021
  240   2HB   HIS  31          1HB       HIS  31   1.893  -3.322  -1.442
  241    HD1  HIS  31           HD1      HIS  31   5.439  -3.800  -0.267
  242    HD2  HIS  31           HD2      HIS  31   3.114  -4.421  -3.648
  243    HE1  HIS  31           HE1      HIS  31   6.862  -5.181  -1.814
  244    HE2  HIS  31           HE2      HIS  31   5.396  -5.625  -3.815
  245    H    LYS  32           H        LYS  32   1.957  -0.162  -3.029
  246    HA   LYS  32           HA       LYS  32  -0.653   0.025  -1.744
  247   1HB   LYS  32          2HB       LYS  32   0.769   2.480  -2.778
  248   2HB   LYS  32          1HB       LYS  32  -0.783   2.413  -1.952
  249   1HG   LYS  32          2HG       LYS  32   0.529   1.441   0.023
  250   2HG   LYS  32          1HG       LYS  32   1.962   2.034  -0.820
  251   1HD   LYS  32          2HD       LYS  32  -0.417   3.734  -0.077
  252   2HD   LYS  32          1HD       LYS  32   1.072   3.626   0.866
  253   1HE   LYS  32          2HE       LYS  32   1.330   5.555  -0.441
  254   2HE   LYS  32          1HE       LYS  32   2.274   4.319  -1.272
  255   1HZ   LYS  32          1HZ       LYS  32   0.424   5.887  -2.439
  256   2HZ   LYS  32          2HZ       LYS  32  -0.471   4.483  -2.136
  257   3HZ   LYS  32          3HZ       LYS  32   0.950   4.400  -3.051
  258    H    CYS  33           H        CYS  33  -1.356   2.176  -3.648
  259    HA   CYS  33           HA       CYS  33  -1.644   0.529  -6.058
  260   1HB   CYS  33          2HB       CYS  33  -3.400   2.556  -4.715
  261   2HB   CYS  33          1HB       CYS  33  -3.624   2.149  -6.408
  262    H    ILE  34           H        ILE  34  -0.657   1.235  -7.851
  263    HA   ILE  34           HA       ILE  34   0.316   4.002  -7.900
  264    HB   ILE  34           HB       ILE  34   1.623   2.977  -9.947
  265   1HG1  ILE  34          2HG1      ILE  34   0.357   0.792  -9.690
  266   2HG1  ILE  34          1HG1      ILE  34   2.112   0.653  -9.764
  267   1HG2  ILE  34          1HG2      ILE  34   3.017   1.944  -7.712
  268   2HG2  ILE  34          2HG2      ILE  34   2.152   3.388  -7.185
  269   3HG2  ILE  34          3HG2      ILE  34   3.269   3.477  -8.547
  270   1HD1  ILE  34          1HD1      ILE  34   2.243   0.317  -7.402
  271   2HD1  ILE  34          2HD1      ILE  34   1.039  -0.791  -8.059
  272   3HD1  ILE  34          3HD1      ILE  34   0.526   0.667  -7.209
  273    H    GLY  35           HN       GLY  35   0.714   4.494 -10.501
  274   1HA   GLY  35          2HA       GLY  35  -1.852   4.026 -11.859
  275   2HA   GLY  35          1HA       GLY  35  -1.295   5.675 -11.624
  Start of MODEL   12
    1    HN   PCA   1           HN       PCA   1 -13.992  -9.222  -4.297
    2    HA   PCA   1           HA       PCA   1 -13.315  -8.118  -2.005
    3   1HB   PCA   1          1HB       PCA   1 -10.604  -7.776  -3.275
    4   2HB   PCA   1          2HB       PCA   1 -11.024  -8.130  -1.573
    5   1HG   PCA   1          1HG       PCA   1 -10.174 -10.044  -3.484
    6   2HG   PCA   1          2HG       PCA   1 -11.012 -10.420  -1.948
    7    H    GLN   2           H        GLN   2 -12.852  -5.798  -1.879
    8    HA   GLN   2           HA       GLN   2 -13.946  -4.419  -4.152
    9   1HB   GLN   2          2HB       GLN   2 -12.939  -2.655  -2.103
   10   2HB   GLN   2          1HB       GLN   2 -14.598  -2.933  -2.617
   11   1HG   GLN   2          2HG       GLN   2 -14.766  -4.838  -1.125
   12   2HG   GLN   2          1HG       GLN   2 -13.084  -4.627  -0.642
   13   1HE2  GLN   2          1HE2      GLN   2 -14.009  -4.520   1.515
   14   2HE2  GLN   2          2HE2      GLN   2 -14.612  -3.010   2.098
   15    H    CYS   3           H        CYS   3 -12.945  -2.421  -5.008
   16    HA   CYS   3           HA       CYS   3 -10.364  -2.931  -6.014
   17   1HB   CYS   3          2HB       CYS   3 -10.630  -1.023  -7.278
   18   2HB   CYS   3          1HB       CYS   3 -12.310  -1.369  -6.901
   19    H    VAL   4           H        VAL   4  -9.120  -0.453  -5.934
   20    HA   VAL   4           HA       VAL   4  -8.621   0.281  -3.181
   21    HB   VAL   4           HB       VAL   4  -6.317  -0.754  -4.822
   22   1HG1  VAL   4          1HG1      VAL   4  -6.449   0.912  -2.569
   23   2HG1  VAL   4          2HG1      VAL   4  -5.017   0.160  -3.272
   24   3HG1  VAL   4          3HG1      VAL   4  -5.904  -0.661  -1.987
   25   1HG2  VAL   4          1HG2      VAL   4  -6.549  -2.823  -3.979
   26   2HG2  VAL   4          2HG2      VAL   4  -8.228  -2.349  -3.719
   27   3HG2  VAL   4          3HG2      VAL   4  -7.062  -2.226  -2.401
   28    H    LYS   5           H        LYS   5  -8.268   2.396  -3.124
   29    HA   LYS   5           HA       LYS   5  -8.015   3.872  -5.563
   30   1HB   LYS   5          2HB       LYS   5  -8.992   4.381  -2.983
   31   2HB   LYS   5          1HB       LYS   5  -7.649   5.486  -3.219
   32   1HG   LYS   5          2HG       LYS   5  -9.663   6.572  -3.907
   33   2HG   LYS   5          1HG       LYS   5  -8.691   6.230  -5.340
   34   1HD   LYS   5          2HD       LYS   5 -10.326   5.006  -6.225
   35   2HD   LYS   5          1HD       LYS   5 -10.440   4.019  -4.766
   36   1HE   LYS   5          2HE       LYS   5 -12.331   5.825  -5.728
   37   2HE   LYS   5          1HE       LYS   5 -12.323   5.031  -4.154
   38   1HZ   LYS   5          1HZ       LYS   5 -11.358   6.869  -3.145
   39   2HZ   LYS   5          2HZ       LYS   5 -12.461   7.565  -4.222
   40   3HZ   LYS   5          3HZ       LYS   5 -10.814   7.528  -4.606
   41    H    LYS   6           H        LYS   6  -6.385   5.477  -5.989
   42    HA   LYS   6           HA       LYS   6  -3.761   4.515  -5.709
   43   1HB   LYS   6          2HB       LYS   6  -4.103   5.892  -7.565
   44   2HB   LYS   6          1HB       LYS   6  -4.937   7.120  -6.623
   45   1HG   LYS   6          2HG       LYS   6  -2.797   7.968  -7.261
   46   2HG   LYS   6          1HG       LYS   6  -2.781   7.664  -5.522
   47   1HD   LYS   6          2HD       LYS   6  -1.580   5.592  -5.857
   48   2HD   LYS   6          1HD       LYS   6  -1.688   5.778  -7.609
   49   1HE   LYS   6          2HE       LYS   6   0.460   6.512  -6.197
   50   2HE   LYS   6          1HE       LYS   6  -0.034   7.322  -7.683
   51   1HZ   LYS   6          1HZ       LYS   6   0.480   8.805  -5.746
   52   2HZ   LYS   6          2HZ       LYS   6  -0.917   8.214  -4.998
   53   3HZ   LYS   6          3HZ       LYS   6  -1.033   9.056  -6.461
   54    H    ASP   7           H        ASP   7  -2.043   5.181  -4.438
   55    HA   ASP   7           HA       ASP   7  -0.937   6.237  -2.713
   56   1HB   ASP   7          2HB       ASP   7  -2.276   8.275  -3.146
   57   2HB   ASP   7          1HB       ASP   7  -3.572   7.620  -2.150
   58    H    GLU   8           H        GLU   8  -3.805   4.444  -2.535
   59    HA   GLU   8           HA       GLU   8  -3.593   3.931   0.322
   60   1HB   GLU   8          2HB       GLU   8  -5.491   2.861  -1.775
   61   2HB   GLU   8          1HB       GLU   8  -5.565   2.452  -0.066
   62   1HG   GLU   8          2HG       GLU   8  -5.918   4.837   0.455
   63   2HG   GLU   8          1HG       GLU   8  -5.939   5.182  -1.274
   64    H    LEU   9           H        LEU   9  -2.776   2.096   1.214
   65    HA   LEU   9           HA       LEU   9  -0.829   0.640  -0.025
   66   1HB   LEU   9          2HB       LEU   9  -2.612   0.006   2.301
   67   2HB   LEU   9          1HB       LEU   9  -1.336  -1.084   1.798
   68    HG   LEU   9           HG       LEU   9  -1.027   0.850   3.651
   69   1HD1  LEU   9          1HD1      LEU   9   1.392   0.449   2.056
   70   2HD1  LEU   9          2HD1      LEU   9   0.534  -1.037   2.463
   71   3HD1  LEU   9          3HD1      LEU   9   1.065   0.053   3.742
   72   1HD2  LEU   9          1HD2      LEU   9  -0.889   2.864   2.720
   73   2HD2  LEU   9          2HD2      LEU   9  -0.906   2.183   1.094
   74   3HD2  LEU   9          3HD2      LEU   9   0.616   2.331   1.971
   75    H    CYS  10           H        CYS  10  -1.060  -1.967   0.077
   76    HA   CYS  10           HA       CYS  10  -3.338  -3.252  -0.823
   77   1HB   CYS  10          2HB       CYS  10  -2.659  -1.485  -2.756
   78   2HB   CYS  10          1HB       CYS  10  -1.696  -2.868  -3.261
   79    H    ILE  11           H        ILE  11  -2.409  -5.132  -2.566
   80    HA   ILE  11           HA       ILE  11   0.192  -6.036  -1.647
   81    HB   ILE  11           HB       ILE  11  -2.029  -8.001  -1.397
   82   1HG1  ILE  11          2HG1      ILE  11  -2.599  -5.847  -0.119
   83   2HG1  ILE  11          1HG1      ILE  11  -2.620  -7.356   0.788
   84   1HG2  ILE  11          1HG2      ILE  11  -0.543  -9.188  -0.097
   85   2HG2  ILE  11          2HG2      ILE  11   0.319  -7.741   0.424
   86   3HG2  ILE  11          3HG2      ILE  11   0.553  -8.366  -1.208
   87   1HD1  ILE  11          1HD1      ILE  11  -1.067  -6.620   2.185
   88   2HD1  ILE  11          2HD1      ILE  11  -1.273  -5.031   1.449
   89   3HD1  ILE  11          3HD1      ILE  11  -0.015  -6.119   0.862
   90    HA   PRO  12           HA       PRO  12  -0.125  -7.059  -6.037
   91   1HB   PRO  12          2HB       PRO  12   2.503  -7.853  -6.215
   92   2HB   PRO  12          1HB       PRO  12   1.956  -6.181  -6.379
   93   1HG   PRO  12          2HG       PRO  12   3.120  -7.570  -4.001
   94   2HG   PRO  12          1HG       PRO  12   3.423  -5.928  -4.601
   95   1HD   PRO  12          2HD       PRO  12   1.809  -6.394  -2.502
   96   2HD   PRO  12          1HD       PRO  12   1.479  -5.092  -3.663
   97    H    TYR  13           H        TYR  13  -0.619  -8.888  -3.630
   98    HA   TYR  13           HA       TYR  13  -0.584 -11.343  -5.130
   99   1HB   TYR  13          2HB       TYR  13   1.189 -10.954  -2.731
  100   2HB   TYR  13          1HB       TYR  13   0.576 -12.549  -3.157
  101    HD1  TYR  13           HD1      TYR  13   0.781 -12.792  -5.965
  102    HD2  TYR  13           HD2      TYR  13   3.402 -10.728  -3.325
  103    HE1  TYR  13           HE1      TYR  13   2.614 -13.063  -7.582
  104    HE2  TYR  13           HE2      TYR  13   5.242 -10.993  -4.935
  105    HH   TYR  13           HH       TYR  13   4.893 -11.653  -8.034
  106    H    TYR  14           H        TYR  14  -2.106  -9.284  -3.227
  107    HA   TYR  14           HA       TYR  14  -3.792 -11.370  -2.021
  108   1HB   TYR  14          2HB       TYR  14  -2.573  -8.977  -0.757
  109   2HB   TYR  14          1HB       TYR  14  -4.239  -9.340  -0.316
  110    HD1  TYR  14           HD1      TYR  14  -0.760 -10.439  -0.099
  111    HD2  TYR  14           HD2      TYR  14  -4.786 -11.385   0.904
  112    HE1  TYR  14           HE1      TYR  14   0.040 -12.126   1.502
  113    HE2  TYR  14           HE2      TYR  14  -3.996 -13.071   2.509
  114    HH   TYR  14           HH       TYR  14  -1.608 -14.521   2.628
  115    H    LEU  15           H        LEU  15  -4.126  -7.840  -2.055
  116    HA   LEU  15           HA       LEU  15  -6.690  -8.185  -3.441
  117   1HB   LEU  15          2HB       LEU  15  -6.843  -5.648  -2.692
  118   2HB   LEU  15          1HB       LEU  15  -7.265  -6.962  -1.612
  119    HG   LEU  15           HG       LEU  15  -5.891  -5.165  -0.566
  120   1HD1  LEU  15          1HD1      LEU  15  -5.324  -6.753   0.866
  121   2HD1  LEU  15          2HD1      LEU  15  -4.012  -7.265  -0.194
  122   3HD1  LEU  15          3HD1      LEU  15  -5.618  -7.971  -0.375
  123   1HD2  LEU  15          1HD2      LEU  15  -3.321  -5.811  -1.325
  124   2HD2  LEU  15          2HD2      LEU  15  -4.211  -4.360  -1.786
  125   3HD2  LEU  15          3HD2      LEU  15  -4.203  -5.766  -2.851
  126    H    ASP  16           H        ASP  16  -7.238  -6.001  -4.701
  127    HA   ASP  16           HA       ASP  16  -4.911  -5.219  -6.310
  128   1HB   ASP  16          2HB       ASP  16  -6.807  -5.313  -8.237
  129   2HB   ASP  16          1HB       ASP  16  -5.697  -6.639  -7.901
  130    H    CYS  17           H        CYS  17  -5.344  -3.277  -7.656
  131    HA   CYS  17           HA       CYS  17  -6.883  -1.366  -6.114
  132   1HB   CYS  17          2HB       CYS  17  -5.079  -0.942  -8.502
  133   2HB   CYS  17          1HB       CYS  17  -5.754   0.311  -7.479
  134    H    CYS  18           H        CYS  18  -8.287   0.189  -7.187
  135    HA   CYS  18           HA       CYS  18 -10.335  -0.981  -8.624
  136   1HB   CYS  18          2HB       CYS  18  -9.856   1.922  -9.037
  137   2HB   CYS  18          1HB       CYS  18 -11.339   1.071  -8.622
  138    H    GLU  19           H        GLU  19  -8.378   1.616 -10.027
  139    HA   GLU  19           HA       GLU  19  -7.135   0.527 -12.117
  140   1HB   GLU  19          2HB       GLU  19  -9.276  -0.647 -12.643
  141   2HB   GLU  19          1HB       GLU  19 -10.004   0.916 -12.980
  142   1HG   GLU  19          2HG       GLU  19  -9.234   0.877 -15.050
  143   2HG   GLU  19          1HG       GLU  19  -7.582   0.667 -14.470
  144    HA   PRO  20           HA       PRO  20  -6.502   0.875 -14.023
  145   1HB   PRO  20          2HB       PRO  20  -4.513   2.105 -15.307
  146   2HB   PRO  20          1HB       PRO  20  -6.182   2.240 -15.875
  147   1HG   PRO  20          2HG       PRO  20  -4.534   4.205 -14.347
  148   2HG   PRO  20          1HG       PRO  20  -5.707   4.491 -15.643
  149   1HD   PRO  20          2HD       PRO  20  -6.204   4.763 -12.910
  150   2HD   PRO  20          1HD       PRO  20  -7.439   4.618 -14.175
  151    H    LEU  21           H        LEU  21  -5.570   2.755 -11.480
  152    HA   LEU  21           HA       LEU  21  -2.948   2.609 -10.978
  153   1HB   LEU  21          2HB       LEU  21  -4.924   1.583  -8.953
  154   2HB   LEU  21          1HB       LEU  21  -3.407   2.406  -8.648
  155    HG   LEU  21           HG       LEU  21  -5.670   3.774 -10.078
  156   1HD1  LEU  21          1HD1      LEU  21  -6.676   3.118  -8.043
  157   2HD1  LEU  21          2HD1      LEU  21  -6.171   4.793  -7.825
  158   3HD1  LEU  21          3HD1      LEU  21  -5.220   3.486  -7.119
  159   1HD2  LEU  21          1HD2      LEU  21  -4.500   5.761  -8.996
  160   2HD2  LEU  21          2HD2      LEU  21  -3.661   4.961 -10.325
  161   3HD2  LEU  21          3HD2      LEU  21  -3.172   4.650  -8.659
  162    H    GLU  22           H        GLU  22  -1.669   1.058  -9.621
  163    HA   GLU  22           HA       GLU  22  -2.217  -1.721 -10.432
  164   1HB   GLU  22          2HB       GLU  22  -0.320  -0.695 -11.669
  165   2HB   GLU  22          1HB       GLU  22   0.498  -0.426 -10.136
  166   1HG   GLU  22          2HG       GLU  22   0.554  -2.834  -9.741
  167   2HG   GLU  22          1HG       GLU  22  -0.268  -3.104 -11.277
  168    H    CYS  23           H        CYS  23  -2.882  -2.742  -8.657
  169    HA   CYS  23           HA       CYS  23  -2.238  -1.999  -6.015
  170   1HB   CYS  23          2HB       CYS  23  -4.252  -3.233  -6.428
  171   2HB   CYS  23          1HB       CYS  23  -3.359  -4.555  -7.169
  172    H    LYS  24           H        LYS  24   0.143  -1.823  -6.375
  173    HA   LYS  24           HA       LYS  24   1.414  -4.250  -5.417
  174   1HB   LYS  24          2HB       LYS  24   3.285  -3.902  -7.152
  175   2HB   LYS  24          1HB       LYS  24   1.806  -4.697  -7.672
  176   1HG   LYS  24          2HG       LYS  24   1.979  -3.251  -9.385
  177   2HG   LYS  24          1HG       LYS  24   1.169  -2.163  -8.258
  178   1HD   LYS  24          2HD       LYS  24   3.376  -1.453  -9.532
  179   2HD   LYS  24          1HD       LYS  24   3.058  -0.933  -7.876
  180   1HE   LYS  24          2HE       LYS  24   5.329  -1.715  -8.035
  181   2HE   LYS  24          1HE       LYS  24   4.395  -2.852  -7.063
  182   1HZ   LYS  24          1HZ       LYS  24   4.286  -4.361  -8.870
  183   2HZ   LYS  24          2HZ       LYS  24   5.904  -3.886  -8.736
  184   3HZ   LYS  24          3HZ       LYS  24   4.930  -3.233  -9.955
  185    H    LYS  25           H        LYS  25   4.022  -3.565  -5.548
  186    HA   LYS  25           HA       LYS  25   4.372  -1.823  -3.405
  187   1HB   LYS  25          2HB       LYS  25   6.018  -3.519  -4.084
  188   2HB   LYS  25          1HB       LYS  25   6.377  -2.589  -5.532
  189   1HG   LYS  25          2HG       LYS  25   6.942  -0.689  -3.855
  190   2HG   LYS  25          1HG       LYS  25   7.071  -2.007  -2.690
  191   1HD   LYS  25          2HD       LYS  25   9.237  -1.429  -3.736
  192   2HD   LYS  25          1HD       LYS  25   8.748  -3.097  -4.044
  193   1HE   LYS  25          2HE       LYS  25   7.646  -1.714  -6.156
  194   2HE   LYS  25          1HE       LYS  25   9.190  -0.900  -5.906
  195   1HZ   LYS  25          1HZ       LYS  25   9.658  -3.638  -5.743
  196   2HZ   LYS  25          2HZ       LYS  25  10.165  -2.571  -6.953
  197   3HZ   LYS  25          3HZ       LYS  25   8.696  -3.392  -7.113
  198    H    VAL  26           H        VAL  26   4.441   0.306  -3.212
  199    HA   VAL  26           HA       VAL  26   4.240   1.962  -5.595
  200    HB   VAL  26           HB       VAL  26   4.337   3.197  -2.900
  201   1HG1  VAL  26          1HG1      VAL  26   3.206   3.713  -5.532
  202   2HG1  VAL  26          2HG1      VAL  26   3.650   4.838  -4.248
  203   3HG1  VAL  26          3HG1      VAL  26   2.079   4.038  -4.215
  204   1HG2  VAL  26          1HG2      VAL  26   2.227   1.249  -3.756
  205   2HG2  VAL  26          2HG2      VAL  26   1.843   2.588  -2.675
  206   3HG2  VAL  26          3HG2      VAL  26   3.047   1.391  -2.200
  207    H    ASN  27           H        ASN  27   6.524   0.993  -3.237
  208    HA   ASN  27           HA       ASN  27   8.546   2.729  -4.438
  209   1HB   ASN  27          2HB       ASN  27   8.955   2.391  -1.590
  210   2HB   ASN  27          1HB       ASN  27   9.029   3.852  -2.562
  211   1HD2  ASN  27          1HD2      ASN  27   7.431   2.330  -0.114
  212   2HD2  ASN  27          2HD2      ASN  27   5.955   3.227  -0.138
  213    H    TRP  28           H        TRP  28   9.356   1.158  -1.540
  214    HA   TRP  28           HA       TRP  28  10.290  -1.255  -2.888
  215   1HB   TRP  28          2HB       TRP  28  12.510  -0.905  -2.564
  216   2HB   TRP  28          1HB       TRP  28  12.035   0.790  -2.573
  217    HD1  TRP  28           HD1      TRP  28  11.012   1.300   0.265
  218    HE1  TRP  28           HE1      TRP  28  12.537   1.079   2.325
  219    HE3  TRP  28           HE3      TRP  28  14.606  -1.752  -1.712
  220    HZ2  TRP  28           HZ2      TRP  28  14.946  -0.220   3.021
  221    HZ3  TRP  28           HZ3      TRP  28  16.488  -2.437  -0.281
  222    HH2  TRP  28           HH2      TRP  28  16.653  -1.686   2.036
  223    H    TRP  29           H        TRP  29   9.356   0.466  -0.047
  224    HA   TRP  29           HA       TRP  29   9.373  -2.054   1.482
  225   1HB   TRP  29          2HB       TRP  29   9.970  -0.942   3.415
  226   2HB   TRP  29          1HB       TRP  29  10.839   0.011   2.216
  227    HD1  TRP  29           HD1      TRP  29   7.783   0.177   4.527
  228    HE1  TRP  29           HE1      TRP  29   7.083   2.641   4.782
  229    HE3  TRP  29           HE3      TRP  29  10.927   2.277   1.084
  230    HZ2  TRP  29           HZ2      TRP  29   7.773   5.142   3.672
  231    HZ3  TRP  29           HZ3      TRP  29  10.844   4.712   0.741
  232    HH2  TRP  29           HH2      TRP  29   9.298   6.113   2.009
  233    H    ASP  30           H        ASP  30   7.550   0.659   0.359
  234    HA   ASP  30           HA       ASP  30   5.205  -0.229   1.895
  235   1HB   ASP  30          2HB       ASP  30   6.238   2.315   1.554
  236   2HB   ASP  30          1HB       ASP  30   4.903   2.265   0.407
  237    H    HIS  31           H        HIS  31   3.579  -1.209   0.874
  238    HA   HIS  31           HA       HIS  31   3.561  -1.158  -2.064
  239   1HB   HIS  31          2HB       HIS  31   2.993  -3.268  -0.051
  240   2HB   HIS  31          1HB       HIS  31   2.016  -3.273  -1.513
  241    HD1  HIS  31           HD1      HIS  31   5.729  -3.079  -0.673
  242    HD2  HIS  31           HD2      HIS  31   3.148  -4.747  -3.471
  243    HE1  HIS  31           HE1      HIS  31   7.189  -4.430  -2.212
  244    HE2  HIS  31           HE2      HIS  31   5.608  -5.412  -3.912
  245    H    LYS  32           H        LYS  32   1.977  -0.045  -2.981
  246    HA   LYS  32           HA       LYS  32  -0.683  -0.050  -1.795
  247   1HB   LYS  32          2HB       LYS  32   0.379   2.579  -2.728
  248   2HB   LYS  32          1HB       LYS  32  -0.905   2.240  -1.578
  249   1HG   LYS  32          2HG       LYS  32   0.787   1.504   0.054
  250   2HG   LYS  32          1HG       LYS  32   2.052   1.936  -1.099
  251   1HD   LYS  32          2HD       LYS  32   0.552   4.218  -1.018
  252   2HD   LYS  32          1HD       LYS  32   0.425   3.639   0.644
  253   1HE   LYS  32          2HE       LYS  32   2.618   3.997   1.077
  254   2HE   LYS  32          1HE       LYS  32   3.120   3.566  -0.558
  255   1HZ   LYS  32          1HZ       LYS  32   1.590   5.998  -0.424
  256   2HZ   LYS  32          2HZ       LYS  32   3.058   5.686  -1.206
  257   3HZ   LYS  32          3HZ       LYS  32   3.043   6.075   0.440
  258    H    CYS  33           H        CYS  33  -1.409   2.176  -3.585
  259    HA   CYS  33           HA       CYS  33  -1.624   0.625  -6.057
  260   1HB   CYS  33          2HB       CYS  33  -3.294   2.763  -4.773
  261   2HB   CYS  33          1HB       CYS  33  -3.497   2.338  -6.465
  262    H    ILE  34           H        ILE  34  -0.557   1.291  -7.821
  263    HA   ILE  34           HA       ILE  34   0.444   4.062  -7.861
  264    HB   ILE  34           HB       ILE  34   1.996   2.826  -9.699
  265   1HG1  ILE  34          2HG1      ILE  34   0.893   0.634  -9.034
  266   2HG1  ILE  34          1HG1      ILE  34   2.653   0.657  -8.977
  267   1HG2  ILE  34          1HG2      ILE  34   2.921   4.240  -8.057
  268   2HG2  ILE  34          2HG2      ILE  34   3.691   2.671  -7.817
  269   3HG2  ILE  34          3HG2      ILE  34   2.391   3.189  -6.744
  270   1HD1  ILE  34          1HD1      ILE  34   1.407  -0.447  -7.048
  271   2HD1  ILE  34          2HD1      ILE  34   1.003   1.191  -6.537
  272   3HD1  ILE  34          3HD1      ILE  34   2.691   0.693  -6.646
  273    H    GLY  35           HN       GLY  35   1.293   4.081 -10.530
  274   1HA   GLY  35          2HA       GLY  35  -0.155   3.308 -12.606
  275   2HA   GLY  35          1HA       GLY  35  -1.294   4.406 -11.843
  Start of MODEL   13
    1    HN   PCA   1           HN       PCA   1 -12.172  -7.781  -1.665
    2    HA   PCA   1           HA       PCA   1 -12.130  -8.934  -3.993
    3   1HB   PCA   1          1HB       PCA   1 -15.140  -8.981  -3.816
    4   2HB   PCA   1          2HB       PCA   1 -14.025 -10.187  -4.527
    5   1HG   PCA   1          1HG       PCA   1 -15.225 -10.465  -2.019
    6   2HG   PCA   1          2HG       PCA   1 -13.678 -11.245  -2.476
    7    H    GLN   2           H        GLN   2 -12.071  -6.277  -2.831
    8    HA   GLN   2           HA       GLN   2 -13.648  -4.785  -4.824
    9   1HB   GLN   2          2HB       GLN   2 -14.482  -4.132  -2.722
   10   2HB   GLN   2          1HB       GLN   2 -12.877  -4.084  -2.005
   11   1HG   GLN   2          2HG       GLN   2 -12.404  -2.179  -3.640
   12   2HG   GLN   2          1HG       GLN   2 -14.149  -2.127  -3.880
   13   1HE2  GLN   2          1HE2      GLN   2 -11.952  -2.462  -1.108
   14   2HE2  GLN   2          2HE2      GLN   2 -12.703  -1.238  -0.148
   15    H    CYS   3           H        CYS   3 -12.649  -2.571  -5.235
   16    HA   CYS   3           HA       CYS   3 -10.033  -3.000  -6.315
   17   1HB   CYS   3          2HB       CYS   3 -10.361  -1.056  -7.496
   18   2HB   CYS   3          1HB       CYS   3 -12.034  -1.478  -7.168
   19    H    VAL   4           H        VAL   4  -9.064  -0.339  -6.027
   20    HA   VAL   4           HA       VAL   4  -8.646   0.224  -3.239
   21    HB   VAL   4           HB       VAL   4  -6.253  -0.625  -4.868
   22   1HG1  VAL   4          1HG1      VAL   4  -6.587   0.312  -2.031
   23   2HG1  VAL   4          2HG1      VAL   4  -5.618   1.041  -3.312
   24   3HG1  VAL   4          3HG1      VAL   4  -5.137  -0.505  -2.613
   25   1HG2  VAL   4          1HG2      VAL   4  -7.675  -2.548  -4.268
   26   2HG2  VAL   4          2HG2      VAL   4  -7.565  -2.076  -2.572
   27   3HG2  VAL   4          3HG2      VAL   4  -6.117  -2.582  -3.443
   28    H    LYS   5           H        LYS   5  -8.351   2.347  -3.028
   29    HA   LYS   5           HA       LYS   5  -8.217   4.002  -5.344
   30   1HB   LYS   5          2HB       LYS   5  -9.065   4.284  -2.683
   31   2HB   LYS   5          1HB       LYS   5  -7.764   5.440  -2.902
   32   1HG   LYS   5          2HG       LYS   5  -9.299   6.804  -3.747
   33   2HG   LYS   5          1HG       LYS   5  -9.282   5.766  -5.174
   34   1HD   LYS   5          2HD       LYS   5 -10.972   4.354  -3.684
   35   2HD   LYS   5          1HD       LYS   5 -11.262   5.940  -2.967
   36   1HE   LYS   5          2HE       LYS   5 -12.307   4.892  -5.372
   37   2HE   LYS   5          1HE       LYS   5 -12.548   6.499  -4.687
   38   1HZ   LYS   5          1HZ       LYS   5 -11.386   6.013  -7.054
   39   2HZ   LYS   5          2HZ       LYS   5 -10.028   6.136  -6.054
   40   3HZ   LYS   5          3HZ       LYS   5 -11.133   7.415  -6.141
   41    H    LYS   6           H        LYS   6  -6.607   5.531  -5.872
   42    HA   LYS   6           HA       LYS   6  -3.960   4.618  -5.659
   43   1HB   LYS   6          2HB       LYS   6  -4.488   5.974  -7.525
   44   2HB   LYS   6          1HB       LYS   6  -5.152   7.249  -6.513
   45   1HG   LYS   6          2HG       LYS   6  -3.188   8.257  -6.811
   46   2HG   LYS   6          1HG       LYS   6  -2.570   7.102  -5.628
   47   1HD   LYS   6          2HD       LYS   6  -2.110   5.552  -7.572
   48   2HD   LYS   6          1HD       LYS   6  -2.459   6.919  -8.632
   49   1HE   LYS   6          2HE       LYS   6  -0.137   6.964  -8.398
   50   2HE   LYS   6          1HE       LYS   6  -0.704   8.183  -7.258
   51   1HZ   LYS   6          1HZ       LYS   6   0.977   6.816  -6.240
   52   2HZ   LYS   6          2HZ       LYS   6   0.114   5.406  -6.595
   53   3HZ   LYS   6          3HZ       LYS   6  -0.509   6.520  -5.486
   54    H    ASP   7           H        ASP   7  -2.281   5.144  -4.334
   55    HA   ASP   7           HA       ASP   7  -1.118   6.343  -2.708
   56   1HB   ASP   7          2HB       ASP   7  -3.802   7.662  -2.297
   57   2HB   ASP   7          1HB       ASP   7  -2.428   7.956  -1.236
   58    H    GLU   8           H        GLU   8  -3.845   4.374  -2.439
   59    HA   GLU   8           HA       GLU   8  -3.560   3.921   0.420
   60   1HB   GLU   8          2HB       GLU   8  -5.472   2.964  -1.684
   61   2HB   GLU   8          1HB       GLU   8  -5.363   2.122  -0.144
   62   1HG   GLU   8          2HG       GLU   8  -5.630   5.030   0.077
   63   2HG   GLU   8          1HG       GLU   8  -7.008   4.215  -0.664
   64    H    LEU   9           H        LEU   9  -3.012   1.882   1.322
   65    HA   LEU   9           HA       LEU   9  -0.863   0.595   0.030
   66   1HB   LEU   9          2HB       LEU   9  -2.462  -0.048   2.493
   67   2HB   LEU   9          1HB       LEU   9  -1.102  -1.022   1.969
   68    HG   LEU   9           HG       LEU   9  -0.954   1.081   3.700
   69   1HD1  LEU   9          1HD1      LEU   9   1.527   0.807   2.271
   70   2HD1  LEU   9          2HD1      LEU   9   0.759  -0.764   2.500
   71   3HD1  LEU   9          3HD1      LEU   9   1.099   0.263   3.894
   72   1HD2  LEU   9          1HD2      LEU   9  -0.987   2.203   1.064
   73   2HD2  LEU   9          2HD2      LEU   9   0.592   2.458   1.804
   74   3HD2  LEU   9          3HD2      LEU   9  -0.866   3.019   2.623
   75    H    CYS  10           H        CYS  10  -0.933  -1.997   0.258
   76    HA   CYS  10           HA       CYS  10  -3.160  -3.494  -0.352
   77   1HB   CYS  10          2HB       CYS  10  -3.148  -1.840  -2.350
   78   2HB   CYS  10          1HB       CYS  10  -1.790  -2.798  -2.932
   79    H    ILE  11           H        ILE  11  -2.448  -5.468  -1.884
   80    HA   ILE  11           HA       ILE  11   0.367  -6.058  -1.398
   81    HB   ILE  11           HB       ILE  11  -1.559  -8.258  -0.892
   82   1HG1  ILE  11          2HG1      ILE  11  -0.867  -6.226   1.236
   83   2HG1  ILE  11          1HG1      ILE  11  -2.410  -6.263   0.387
   84   1HG2  ILE  11          1HG2      ILE  11   1.213  -7.502  -0.148
   85   2HG2  ILE  11          2HG2      ILE  11   0.570  -9.051  -0.692
   86   3HG2  ILE  11          3HG2      ILE  11   0.309  -8.523   0.971
   87   1HD1  ILE  11          1HD1      ILE  11  -2.121  -8.844   1.295
   88   2HD1  ILE  11          2HD1      ILE  11  -3.110  -7.581   2.027
   89   3HD1  ILE  11          3HD1      ILE  11  -1.470  -7.865   2.608
   90    HA   PRO  12           HA       PRO  12  -0.160  -7.207  -5.701
   91   1HB   PRO  12          2HB       PRO  12   2.633  -8.116  -5.344
   92   2HB   PRO  12          1HB       PRO  12   1.963  -6.975  -6.513
   93   1HG   PRO  12          2HG       PRO  12   3.455  -6.135  -4.460
   94   2HG   PRO  12          1HG       PRO  12   2.065  -5.196  -5.036
   95   1HD   PRO  12          2HD       PRO  12   2.289  -6.975  -2.640
   96   2HD   PRO  12          1HD       PRO  12   1.467  -5.410  -2.809
   97    H    TYR  13           H        TYR  13  -0.622  -9.037  -3.283
   98    HA   TYR  13           HA       TYR  13  -0.770 -11.472  -4.795
   99   1HB   TYR  13          2HB       TYR  13   0.924 -11.503  -2.292
  100   2HB   TYR  13          1HB       TYR  13   0.611 -12.849  -3.382
  101    HD1  TYR  13           HD1      TYR  13   2.369  -9.619  -3.043
  102    HD2  TYR  13           HD2      TYR  13   1.900 -13.157  -5.360
  103    HE1  TYR  13           HE1      TYR  13   4.387  -9.040  -4.325
  104    HE2  TYR  13           HE2      TYR  13   3.917 -12.588  -6.647
  105    HH   TYR  13           HH       TYR  13   5.605 -11.168  -6.896
  106    H    TYR  14           H        TYR  14  -2.157  -9.405  -2.884
  107    HA   TYR  14           HA       TYR  14  -3.781 -11.439  -1.523
  108   1HB   TYR  14          2HB       TYR  14  -2.267  -9.242  -0.315
  109   2HB   TYR  14          1HB       TYR  14  -3.966  -9.249   0.145
  110    HD1  TYR  14           HD1      TYR  14  -1.050 -10.056   1.474
  111    HD2  TYR  14           HD2      TYR  14  -4.626 -12.062   0.338
  112    HE1  TYR  14           HE1      TYR  14  -0.587 -11.810   3.134
  113    HE2  TYR  14           HE2      TYR  14  -4.172 -13.821   1.994
  114    HH   TYR  14           HH       TYR  14  -1.602 -14.617   3.179
  115    H    LEU  15           H        LEU  15  -3.546  -8.180  -2.839
  116    HA   LEU  15           HA       LEU  15  -6.332  -8.322  -3.649
  117   1HB   LEU  15          2HB       LEU  15  -5.736  -5.712  -2.489
  118   2HB   LEU  15          1HB       LEU  15  -7.166  -6.713  -2.327
  119    HG   LEU  15           HG       LEU  15  -5.847  -8.100  -0.657
  120   1HD1  LEU  15          1HD1      LEU  15  -3.831  -7.420   0.152
  121   2HD1  LEU  15          2HD1      LEU  15  -4.115  -5.726  -0.244
  122   3HD1  LEU  15          3HD1      LEU  15  -3.676  -6.867  -1.515
  123   1HD2  LEU  15          1HD2      LEU  15  -6.912  -5.367  -0.307
  124   2HD2  LEU  15          2HD2      LEU  15  -5.985  -6.036   1.036
  125   3HD2  LEU  15          3HD2      LEU  15  -7.411  -6.885   0.438
  126    H    ASP  16           H        ASP  16  -6.878  -6.143  -4.842
  127    HA   ASP  16           HA       ASP  16  -4.538  -5.206  -6.345
  128   1HB   ASP  16          2HB       ASP  16  -7.042  -5.674  -7.883
  129   2HB   ASP  16          1HB       ASP  16  -5.363  -5.784  -8.405
  130    H    CYS  17           H        CYS  17  -5.032  -3.230  -7.638
  131    HA   CYS  17           HA       CYS  17  -6.677  -1.450  -6.045
  132   1HB   CYS  17          2HB       CYS  17  -4.722  -0.945  -8.291
  133   2HB   CYS  17          1HB       CYS  17  -5.617   0.317  -7.465
  134    H    CYS  18           H        CYS  18  -7.901   0.289  -7.314
  135    HA   CYS  18           HA       CYS  18  -9.950  -0.965  -8.780
  136   1HB   CYS  18          2HB       CYS  18  -9.561   1.971  -9.046
  137   2HB   CYS  18          1HB       CYS  18 -11.026   1.049  -8.736
  138    H    GLU  19           H        GLU  19  -8.731   1.938 -10.220
  139    HA   GLU  19           HA       GLU  19  -7.150   0.945 -12.274
  140   1HB   GLU  19          2HB       GLU  19  -9.034  -0.372 -13.003
  141   2HB   GLU  19          1HB       GLU  19 -10.092   1.030 -12.955
  142   1HG   GLU  19          2HG       GLU  19  -9.081   1.992 -14.844
  143   2HG   GLU  19          1HG       GLU  19  -7.701   0.898 -14.760
  144    HA   PRO  20           HA       PRO  20  -6.656   1.433 -14.315
  145   1HB   PRO  20          2HB       PRO  20  -4.613   2.803 -15.380
  146   2HB   PRO  20          1HB       PRO  20  -6.257   2.953 -16.013
  147   1HG   PRO  20          2HG       PRO  20  -4.754   4.787 -14.189
  148   2HG   PRO  20          1HG       PRO  20  -5.808   5.185 -15.558
  149   1HD   PRO  20          2HD       PRO  20  -6.594   5.273 -12.923
  150   2HD   PRO  20          1HD       PRO  20  -7.704   5.047 -14.288
  151    H    LEU  21           H        LEU  21  -5.749   3.106 -11.589
  152    HA   LEU  21           HA       LEU  21  -3.091   2.707 -11.143
  153   1HB   LEU  21          2HB       LEU  21  -5.115   2.011  -9.036
  154   2HB   LEU  21          1HB       LEU  21  -3.536   2.743  -8.828
  155    HG   LEU  21           HG       LEU  21  -5.714   4.187 -10.305
  156   1HD1  LEU  21          1HD1      LEU  21  -5.433   3.748  -7.379
  157   2HD1  LEU  21          2HD1      LEU  21  -6.885   3.940  -8.362
  158   3HD1  LEU  21          3HD1      LEU  21  -5.909   5.349  -7.945
  159   1HD2  LEU  21          1HD2      LEU  21  -3.888   5.691  -8.624
  160   2HD2  LEU  21          2HD2      LEU  21  -4.277   5.890 -10.333
  161   3HD2  LEU  21          3HD2      LEU  21  -3.044   4.730  -9.838
  162    H    GLU  22           H        GLU  22  -2.025   1.039  -9.743
  163    HA   GLU  22           HA       GLU  22  -3.067  -1.661 -10.244
  164   1HB   GLU  22          2HB       GLU  22  -1.293  -0.984 -11.919
  165   2HB   GLU  22          1HB       GLU  22  -0.159  -0.924 -10.576
  166   1HG   GLU  22          2HG       GLU  22  -0.719  -3.312 -10.106
  167   2HG   GLU  22          1HG       GLU  22  -1.648  -3.324 -11.604
  168    H    CYS  23           H        CYS  23  -3.239  -2.742  -8.411
  169    HA   CYS  23           HA       CYS  23  -2.182  -1.802  -5.956
  170   1HB   CYS  23          2HB       CYS  23  -4.143  -2.998  -5.674
  171   2HB   CYS  23          1HB       CYS  23  -3.686  -4.228  -6.846
  172    H    LYS  24           H        LYS  24   0.087  -1.658  -6.313
  173    HA   LYS  24           HA       LYS  24   1.464  -4.184  -5.840
  174   1HB   LYS  24          2HB       LYS  24   2.628  -4.246  -7.762
  175   2HB   LYS  24          1HB       LYS  24   1.385  -3.169  -8.386
  176   1HG   LYS  24          2HG       LYS  24   3.182  -1.494  -7.086
  177   2HG   LYS  24          1HG       LYS  24   4.184  -2.674  -7.926
  178   1HD   LYS  24          2HD       LYS  24   2.000  -1.757  -9.586
  179   2HD   LYS  24          1HD       LYS  24   2.993  -0.413  -9.018
  180   1HE   LYS  24          2HE       LYS  24   3.857  -1.219 -11.121
  181   2HE   LYS  24          1HE       LYS  24   5.001  -1.591  -9.832
  182   1HZ   LYS  24          1HZ       LYS  24   3.256  -3.417 -11.345
  183   2HZ   LYS  24          2HZ       LYS  24   3.769  -3.844  -9.791
  184   3HZ   LYS  24          3HZ       LYS  24   4.909  -3.552 -11.007
  185    H    LYS  25           H        LYS  25   4.062  -3.225  -6.097
  186    HA   LYS  25           HA       LYS  25   4.336  -1.743  -3.656
  187   1HB   LYS  25          2HB       LYS  25   6.000  -3.366  -3.993
  188   2HB   LYS  25          1HB       LYS  25   6.264  -2.878  -5.662
  189   1HG   LYS  25          2HG       LYS  25   7.293  -0.802  -4.899
  190   2HG   LYS  25          1HG       LYS  25   7.018  -1.281  -3.222
  191   1HD   LYS  25          2HD       LYS  25   9.338  -1.706  -4.081
  192   2HD   LYS  25          1HD       LYS  25   8.518  -3.121  -3.421
  193   1HE   LYS  25          2HE       LYS  25   8.355  -4.141  -5.445
  194   2HE   LYS  25          1HE       LYS  25   8.200  -2.618  -6.320
  195   1HZ   LYS  25          1HZ       LYS  25  10.317  -2.848  -6.881
  196   2HZ   LYS  25          2HZ       LYS  25  10.517  -4.186  -5.867
  197   3HZ   LYS  25          3HZ       LYS  25  10.745  -2.624  -5.259
  198    H    VAL  26           H        VAL  26   4.529   0.366  -3.396
  199    HA   VAL  26           HA       VAL  26   4.546   2.093  -5.735
  200    HB   VAL  26           HB       VAL  26   4.618   3.333  -3.066
  201   1HG1  VAL  26          1HG1      VAL  26   2.474   4.363  -4.165
  202   2HG1  VAL  26          2HG1      VAL  26   3.140   3.651  -5.634
  203   3HG1  VAL  26          3HG1      VAL  26   4.081   4.831  -4.722
  204   1HG2  VAL  26          1HG2      VAL  26   3.287   1.094  -2.906
  205   2HG2  VAL  26          2HG2      VAL  26   2.049   1.992  -3.784
  206   3HG2  VAL  26          3HG2      VAL  26   2.614   2.571  -2.217
  207    H    ASN  27           H        ASN  27   6.658   0.953  -3.284
  208    HA   ASN  27           HA       ASN  27   8.815   2.612  -4.362
  209   1HB   ASN  27          2HB       ASN  27   9.110   2.172  -1.518
  210   2HB   ASN  27          1HB       ASN  27   9.270   3.658  -2.440
  211   1HD2  ASN  27          1HD2      ASN  27   8.175   3.666   0.069
  212   2HD2  ASN  27          2HD2      ASN  27   6.489   4.027  -0.036
  213    H    TRP  28           H        TRP  28   9.525   0.948  -1.507
  214    HA   TRP  28           HA       TRP  28  10.440  -1.432  -2.949
  215   1HB   TRP  28          2HB       TRP  28  12.628  -1.224  -2.311
  216   2HB   TRP  28          1HB       TRP  28  12.214   0.488  -2.370
  217    HD1  TRP  28           HD1      TRP  28  10.802   0.937   0.344
  218    HE1  TRP  28           HE1      TRP  28  12.073   0.702   2.569
  219    HE3  TRP  28           HE3      TRP  28  14.664  -2.010  -1.241
  220    HZ2  TRP  28           HZ2      TRP  28  14.408  -0.565   3.525
  221    HZ3  TRP  28           HZ3      TRP  28  16.376  -2.691   0.391
  222    HH2  TRP  28           HH2      TRP  28  16.248  -1.982   2.725
  223    H    TRP  29           H        TRP  29   9.173   0.066  -0.139
  224    HA   TRP  29           HA       TRP  29   8.932  -2.568   1.154
  225   1HB   TRP  29          2HB       TRP  29   9.618  -1.784   3.189
  226   2HB   TRP  29          1HB       TRP  29  10.543  -0.686   2.168
  227    HD1  TRP  29           HD1      TRP  29   7.171  -0.734   4.079
  228    HE1  TRP  29           HE1      TRP  29   6.658   1.668   4.846
  229    HE3  TRP  29           HE3      TRP  29  11.121   1.672   1.903
  230    HZ2  TRP  29           HZ2      TRP  29   7.781   4.244   4.566
  231    HZ3  TRP  29           HZ3      TRP  29  11.328   4.105   2.200
  232    HH2  TRP  29           HH2      TRP  29   9.692   5.363   3.504
  233    H    ASP  30           H        ASP  30   7.553   0.590   0.524
  234    HA   ASP  30           HA       ASP  30   5.066  -0.094   1.869
  235   1HB   ASP  30          2HB       ASP  30   6.389   2.298   1.395
  236   2HB   ASP  30          1HB       ASP  30   5.029   2.345   0.279
  237    H    HIS  31           H        HIS  31   3.524  -1.185   0.869
  238    HA   HIS  31           HA       HIS  31   3.427  -1.160  -2.061
  239   1HB   HIS  31          2HB       HIS  31   2.659  -3.126   0.041
  240   2HB   HIS  31          1HB       HIS  31   1.742  -3.126  -1.458
  241    HD1  HIS  31           HD1      HIS  31   5.348  -3.404  -0.306
  242    HD2  HIS  31           HD2      HIS  31   2.906  -4.540  -3.470
  243    HE1  HIS  31           HE1      HIS  31   6.775  -4.878  -1.759
  244    HE2  HIS  31           HE2      HIS  31   5.302  -5.485  -3.712
  245    H    LYS  32           H        LYS  32   1.915   0.041  -3.013
  246    HA   LYS  32           HA       LYS  32  -0.706   0.323  -1.765
  247   1HB   LYS  32          2HB       LYS  32   0.811   2.713  -2.803
  248   2HB   LYS  32          1HB       LYS  32  -0.748   2.708  -1.990
  249   1HG   LYS  32          2HG       LYS  32   0.473   1.754   0.019
  250   2HG   LYS  32          1HG       LYS  32   1.965   2.188  -0.821
  251   1HD   LYS  32          2HD       LYS  32  -0.190   3.966   0.251
  252   2HD   LYS  32          1HD       LYS  32   1.554   4.047   0.509
  253   1HE   LYS  32          2HE       LYS  32   1.770   4.595  -1.944
  254   2HE   LYS  32          1HE       LYS  32   0.016   4.772  -1.977
  255   1HZ   LYS  32          1HZ       LYS  32   0.461   6.377  -0.006
  256   2HZ   LYS  32          2HZ       LYS  32   0.701   6.910  -1.593
  257   3HZ   LYS  32          3HZ       LYS  32   2.026   6.452  -0.647
  258    H    CYS  33           H        CYS  33  -1.352   2.454  -3.644
  259    HA   CYS  33           HA       CYS  33  -1.765   0.808  -6.028
  260   1HB   CYS  33          2HB       CYS  33  -3.232   3.103  -4.774
  261   2HB   CYS  33          1HB       CYS  33  -3.494   2.694  -6.461
  262    H    ILE  34           H        ILE  34  -1.043   1.445  -8.010
  263    HA   ILE  34           HA       ILE  34   0.242   4.088  -8.196
  264    HB   ILE  34           HB       ILE  34   1.659   2.453  -9.948
  265   1HG1  ILE  34          2HG1      ILE  34   0.671   0.519  -8.672
  266   2HG1  ILE  34          1HG1      ILE  34   2.431   0.580  -8.666
  267   1HG2  ILE  34          1HG2      ILE  34   3.056   3.933  -9.020
  268   2HG2  ILE  34          2HG2      ILE  34   3.295   2.715  -7.767
  269   3HG2  ILE  34          3HG2      ILE  34   2.125   4.011  -7.525
  270   1HD1  ILE  34          1HD1      ILE  34   0.929   0.180  -6.478
  271   2HD1  ILE  34          2HD1      ILE  34   1.110   1.933  -6.420
  272   3HD1  ILE  34          3HD1      ILE  34   2.538   0.900  -6.449
  273    H    GLY  35           HN       GLY  35   1.120   3.722 -10.879
  274   1HA   GLY  35          2HA       GLY  35  -1.013   2.931 -12.582
  275   2HA   GLY  35          1HA       GLY  35  -1.056   4.667 -12.314
  Start of MODEL   14
    1    HN   PCA   1           HN       PCA   1 -14.032  -8.923  -4.749
    2    HA   PCA   1           HA       PCA   1 -13.444  -7.998  -2.471
    3   1HB   PCA   1          1HB       PCA   1 -10.697  -7.450  -2.727
    4   2HB   PCA   1          2HB       PCA   1 -11.369  -8.905  -1.934
    5   1HG   PCA   1          1HG       PCA   1 -10.189  -8.610  -4.686
    6   2HG   PCA   1          2HG       PCA   1 -10.273 -10.059  -3.636
    7    H    GLN   2           H        GLN   2 -13.759  -5.862  -2.211
    8    HA   GLN   2           HA       GLN   2 -14.281  -4.125  -4.232
    9   1HB   GLN   2          2HB       GLN   2 -13.024  -2.937  -1.811
   10   2HB   GLN   2          1HB       GLN   2 -14.513  -2.495  -2.636
   11   1HG   GLN   2          2HG       GLN   2 -15.613  -4.467  -1.695
   12   2HG   GLN   2          1HG       GLN   2 -14.121  -4.893  -0.859
   13   1HE2  GLN   2          1HE2      GLN   2 -14.366  -4.512   1.218
   14   2HE2  GLN   2          2HE2      GLN   2 -15.076  -3.102   1.919
   15    H    CYS   3           H        CYS   3 -13.194  -2.400  -5.244
   16    HA   CYS   3           HA       CYS   3 -10.605  -2.944  -6.144
   17   1HB   CYS   3          2HB       CYS   3 -10.795  -1.046  -7.435
   18   2HB   CYS   3          1HB       CYS   3 -12.492  -1.341  -7.081
   19    H    VAL   4           H        VAL   4  -9.513  -0.270  -6.006
   20    HA   VAL   4           HA       VAL   4  -8.965   0.351  -3.255
   21    HB   VAL   4           HB       VAL   4  -6.671  -0.650  -4.944
   22   1HG1  VAL   4          1HG1      VAL   4  -5.483  -0.526  -2.714
   23   2HG1  VAL   4          2HG1      VAL   4  -6.866   0.403  -2.137
   24   3HG1  VAL   4          3HG1      VAL   4  -5.887   1.015  -3.469
   25   1HG2  VAL   4          1HG2      VAL   4  -6.563  -2.581  -3.513
   26   2HG2  VAL   4          2HG2      VAL   4  -8.179  -2.480  -4.211
   27   3HG2  VAL   4          3HG2      VAL   4  -7.907  -1.984  -2.540
   28    H    LYS   5           H        LYS   5  -8.455   2.469  -3.098
   29    HA   LYS   5           HA       LYS   5  -8.260   3.986  -5.538
   30   1HB   LYS   5          2HB       LYS   5  -9.242   4.467  -2.947
   31   2HB   LYS   5          1HB       LYS   5  -7.898   5.571  -3.177
   32   1HG   LYS   5          2HG       LYS   5  -9.198   6.911  -4.358
   33   2HG   LYS   5          1HG       LYS   5  -9.453   5.624  -5.538
   34   1HD   LYS   5          2HD       LYS   5 -11.079   6.178  -3.059
   35   2HD   LYS   5          1HD       LYS   5 -11.594   6.361  -4.736
   36   1HE   LYS   5          2HE       LYS   5 -10.652   3.705  -3.740
   37   2HE   LYS   5          1HE       LYS   5 -12.291   4.247  -3.382
   38   1HZ   LYS   5          1HZ       LYS   5 -12.936   3.927  -5.487
   39   2HZ   LYS   5          2HZ       LYS   5 -11.570   2.939  -5.612
   40   3HZ   LYS   5          3HZ       LYS   5 -11.504   4.543  -6.146
   41    H    LYS   6           H        LYS   6  -6.549   5.401  -6.075
   42    HA   LYS   6           HA       LYS   6  -3.967   4.426  -5.673
   43   1HB   LYS   6          2HB       LYS   6  -4.742   5.956  -7.527
   44   2HB   LYS   6          1HB       LYS   6  -4.663   7.282  -6.375
   45   1HG   LYS   6          2HG       LYS   6  -2.246   5.597  -6.694
   46   2HG   LYS   6          1HG       LYS   6  -2.662   6.703  -8.005
   47   1HD   LYS   6          2HD       LYS   6  -2.599   7.659  -5.167
   48   2HD   LYS   6          1HD       LYS   6  -1.108   7.527  -6.103
   49   1HE   LYS   6          2HE       LYS   6  -2.139   8.959  -7.848
   50   2HE   LYS   6          1HE       LYS   6  -3.544   9.162  -6.802
   51   1HZ   LYS   6          1HZ       LYS   6  -2.263  11.023  -6.368
   52   2HZ   LYS   6          2HZ       LYS   6  -0.800  10.175  -6.424
   53   3HZ   LYS   6          3HZ       LYS   6  -1.835   9.987  -5.100
   54    H    ASP   7           H        ASP   7  -2.274   5.027  -4.367
   55    HA   ASP   7           HA       ASP   7  -1.164   6.158  -2.674
   56   1HB   ASP   7          2HB       ASP   7  -3.001   8.018  -3.176
   57   2HB   ASP   7          1HB       ASP   7  -3.648   7.443  -1.641
   58    H    GLU   8           H        GLU   8  -3.830   4.159  -2.572
   59    HA   GLU   8           HA       GLU   8  -3.770   3.709   0.303
   60   1HB   GLU   8          2HB       GLU   8  -5.475   2.752  -1.963
   61   2HB   GLU   8          1HB       GLU   8  -5.425   1.812  -0.478
   62   1HG   GLU   8          2HG       GLU   8  -5.816   4.605   0.094
   63   2HG   GLU   8          1HG       GLU   8  -7.032   4.014  -1.037
   64    H    LEU   9           H        LEU   9  -3.231   1.676   1.238
   65    HA   LEU   9           HA       LEU   9  -0.953   0.459   0.075
   66   1HB   LEU   9          2HB       LEU   9  -2.646  -0.239   2.464
   67   2HB   LEU   9          1HB       LEU   9  -1.190  -1.111   2.030
   68    HG   LEU   9           HG       LEU   9  -1.307   1.013   3.742
   69   1HD1  LEU   9          1HD1      LEU   9   1.194   0.552   2.194
   70   2HD1  LEU   9          2HD1      LEU   9   0.510  -0.772   3.137
   71   3HD1  LEU   9          3HD1      LEU   9   0.961   0.736   3.933
   72   1HD2  LEU   9          1HD2      LEU   9  -1.189   2.959   2.689
   73   2HD2  LEU   9          2HD2      LEU   9  -1.329   2.130   1.139
   74   3HD2  LEU   9          3HD2      LEU   9   0.262   2.425   1.841
   75    H    CYS  10           H        CYS  10  -0.889  -2.087   0.167
   76    HA   CYS  10           HA       CYS  10  -3.065  -3.675  -0.426
   77   1HB   CYS  10          2HB       CYS  10  -3.080  -1.947  -2.403
   78   2HB   CYS  10          1HB       CYS  10  -1.780  -2.949  -3.031
   79    H    ILE  11           H        ILE  11  -2.241  -5.540  -2.110
   80    HA   ILE  11           HA       ILE  11   0.587  -6.044  -1.661
   81    HB   ILE  11           HB       ILE  11  -1.276  -8.268  -1.001
   82   1HG1  ILE  11          2HG1      ILE  11  -0.372  -6.717   1.323
   83   2HG1  ILE  11          1HG1      ILE  11  -1.557  -5.882   0.324
   84   1HG2  ILE  11          1HG2      ILE  11   0.882  -9.040  -0.993
   85   2HG2  ILE  11          2HG2      ILE  11   0.721  -8.551   0.694
   86   3HG2  ILE  11          3HG2      ILE  11   1.546  -7.497  -0.455
   87   1HD1  ILE  11          1HD1      ILE  11  -1.844  -8.463   1.807
   88   2HD1  ILE  11          2HD1      ILE  11  -2.934  -8.024   0.492
   89   3HD1  ILE  11          3HD1      ILE  11  -2.820  -7.000   1.923
   90    HA   PRO  12           HA       PRO  12  -0.001  -7.389  -5.882
   91   1HB   PRO  12          2HB       PRO  12   2.759  -8.390  -5.545
   92   2HB   PRO  12          1HB       PRO  12   2.118  -7.240  -6.721
   93   1HG   PRO  12          2HG       PRO  12   3.678  -6.439  -4.698
   94   2HG   PRO  12          1HG       PRO  12   2.331  -5.444  -5.283
   95   1HD   PRO  12          2HD       PRO  12   2.489  -7.183  -2.851
   96   2HD   PRO  12          1HD       PRO  12   1.743  -5.583  -3.046
   97    H    TYR  13           H        TYR  13  -0.521  -9.110  -3.410
   98    HA   TYR  13           HA       TYR  13  -0.795 -11.588  -4.814
   99   1HB   TYR  13          2HB       TYR  13   0.730 -12.047  -2.332
  100   2HB   TYR  13          1HB       TYR  13   0.832 -12.868  -3.886
  101    HD1  TYR  13           HD1      TYR  13   2.862 -12.694  -4.954
  102    HD2  TYR  13           HD2      TYR  13   1.552  -9.453  -2.530
  103    HE1  TYR  13           HE1      TYR  13   4.943 -11.484  -5.457
  104    HE2  TYR  13           HE2      TYR  13   3.629  -8.234  -3.027
  105    HH   TYR  13           HH       TYR  13   6.076  -8.983  -3.743
  106    H    TYR  14           H        TYR  14  -2.389  -9.595  -3.347
  107    HA   TYR  14           HA       TYR  14  -3.865 -11.475  -1.693
  108   1HB   TYR  14          2HB       TYR  14  -2.241  -9.336  -0.589
  109   2HB   TYR  14          1HB       TYR  14  -3.934  -9.156  -0.143
  110    HD1  TYR  14           HD1      TYR  14  -4.470 -12.227  -0.196
  111    HD2  TYR  14           HD2      TYR  14  -1.499  -9.808   1.656
  112    HE1  TYR  14           HE1      TYR  14  -4.187 -13.927   1.558
  113    HE2  TYR  14           HE2      TYR  14  -1.208 -11.502   3.415
  114    HH   TYR  14           HH       TYR  14  -2.694 -14.637   3.212
  115    H    LEU  15           H        LEU  15  -3.669  -8.117  -2.857
  116    HA   LEU  15           HA       LEU  15  -6.478  -8.310  -3.657
  117   1HB   LEU  15          2HB       LEU  15  -5.826  -5.675  -2.612
  118   2HB   LEU  15          1HB       LEU  15  -7.234  -6.680  -2.326
  119    HG   LEU  15           HG       LEU  15  -5.200  -7.913  -0.889
  120   1HD1  LEU  15          1HD1      LEU  15  -3.649  -6.262  -0.739
  121   2HD1  LEU  15          2HD1      LEU  15  -4.701  -5.759   0.583
  122   3HD1  LEU  15          3HD1      LEU  15  -4.830  -4.978  -0.993
  123   1HD2  LEU  15          1HD2      LEU  15  -7.590  -6.255  -0.270
  124   2HD2  LEU  15          2HD2      LEU  15  -6.498  -6.691   1.045
  125   3HD2  LEU  15          3HD2      LEU  15  -7.270  -7.952   0.084
  126    H    ASP  16           H        ASP  16  -7.019  -6.029  -4.768
  127    HA   ASP  16           HA       ASP  16  -4.781  -5.164  -6.439
  128   1HB   ASP  16          2HB       ASP  16  -6.223  -5.376  -8.480
  129   2HB   ASP  16          1HB       ASP  16  -5.756  -6.919  -7.768
  130    H    CYS  17           H        CYS  17  -5.415  -3.227  -7.785
  131    HA   CYS  17           HA       CYS  17  -6.985  -1.445  -6.104
  132   1HB   CYS  17          2HB       CYS  17  -4.644  -1.061  -7.450
  133   2HB   CYS  17          1HB       CYS  17  -5.799  -0.336  -8.560
  134    H    CYS  18           H        CYS  18  -8.044   0.393  -7.647
  135    HA   CYS  18           HA       CYS  18 -10.274  -0.954  -8.850
  136   1HB   CYS  18          2HB       CYS  18  -9.927   1.985  -9.135
  137   2HB   CYS  18          1HB       CYS  18 -11.365   1.052  -8.757
  138    H    GLU  19           H        GLU  19  -8.496   1.805 -10.172
  139    HA   GLU  19           HA       GLU  19  -7.292   0.749 -12.362
  140   1HB   GLU  19          2HB       GLU  19  -9.169  -0.263 -13.279
  141   2HB   GLU  19          1HB       GLU  19 -10.242   1.030 -12.764
  142   1HG   GLU  19          2HG       GLU  19  -9.117   2.505 -14.450
  143   2HG   GLU  19          1HG       GLU  19  -8.290   1.067 -15.048
  144    HA   PRO  20           HA       PRO  20  -6.489   1.175 -14.031
  145   1HB   PRO  20          2HB       PRO  20  -4.466   2.391 -15.275
  146   2HB   PRO  20          1HB       PRO  20  -6.128   2.574 -15.845
  147   1HG   PRO  20          2HG       PRO  20  -4.420   4.491 -14.353
  148   2HG   PRO  20          1HG       PRO  20  -5.687   4.808 -15.548
  149   1HD   PRO  20          2HD       PRO  20  -5.931   4.927 -12.727
  150   2HD   PRO  20          1HD       PRO  20  -7.242   5.035 -13.916
  151    H    LEU  21           H        LEU  21  -5.558   2.923 -11.416
  152    HA   LEU  21           HA       LEU  21  -2.929   2.711 -10.911
  153   1HB   LEU  21          2HB       LEU  21  -5.028   1.767  -8.962
  154   2HB   LEU  21          1HB       LEU  21  -3.435   2.385  -8.569
  155    HG   LEU  21           HG       LEU  21  -5.605   4.013  -9.891
  156   1HD1  LEU  21          1HD1      LEU  21  -6.308   3.421  -7.662
  157   2HD1  LEU  21          2HD1      LEU  21  -5.811   5.113  -7.692
  158   3HD1  LEU  21          3HD1      LEU  21  -4.740   3.892  -7.008
  159   1HD2  LEU  21          1HD2      LEU  21  -4.195   5.904  -9.425
  160   2HD2  LEU  21          2HD2      LEU  21  -3.271   4.713 -10.340
  161   3HD2  LEU  21          3HD2      LEU  21  -3.020   4.876  -8.603
  162    H    GLU  22           H        GLU  22  -1.809   1.064  -9.425
  163    HA   GLU  22           HA       GLU  22  -2.448  -1.682 -10.249
  164   1HB   GLU  22          2HB       GLU  22  -0.374  -0.260 -11.346
  165   2HB   GLU  22          1HB       GLU  22   0.422  -1.106 -10.025
  166   1HG   GLU  22          2HG       GLU  22   0.600  -2.415 -12.021
  167   2HG   GLU  22          1HG       GLU  22  -0.477  -3.233 -10.890
  168    H    CYS  23           H        CYS  23  -3.083  -2.495  -8.330
  169    HA   CYS  23           HA       CYS  23  -2.100  -1.770  -5.813
  170   1HB   CYS  23          2HB       CYS  23  -4.109  -2.854  -5.628
  171   2HB   CYS  23          1HB       CYS  23  -3.732  -4.001  -6.905
  172    H    LYS  24           H        LYS  24   0.219  -1.755  -6.229
  173    HA   LYS  24           HA       LYS  24   1.415  -4.286  -5.458
  174   1HB   LYS  24          2HB       LYS  24   3.239  -3.731  -7.301
  175   2HB   LYS  24          1HB       LYS  24   1.826  -4.710  -7.668
  176   1HG   LYS  24          2HG       LYS  24   1.439  -3.312  -9.345
  177   2HG   LYS  24          1HG       LYS  24   0.972  -2.121  -8.130
  178   1HD   LYS  24          2HD       LYS  24   2.645  -1.250  -9.722
  179   2HD   LYS  24          1HD       LYS  24   3.231  -1.257  -8.057
  180   1HE   LYS  24          2HE       LYS  24   4.962  -2.518  -8.643
  181   2HE   LYS  24          1HE       LYS  24   3.874  -3.755  -9.271
  182   1HZ   LYS  24          1HZ       LYS  24   3.758  -2.359 -11.344
  183   2HZ   LYS  24          2HZ       LYS  24   5.245  -3.112 -11.052
  184   3HZ   LYS  24          3HZ       LYS  24   5.054  -1.462 -10.728
  185    H    LYS  25           H        LYS  25   4.092  -3.462  -6.002
  186    HA   LYS  25           HA       LYS  25   4.599  -1.906  -3.683
  187   1HB   LYS  25          2HB       LYS  25   6.115  -3.671  -4.669
  188   2HB   LYS  25          1HB       LYS  25   6.543  -2.505  -5.913
  189   1HG   LYS  25          2HG       LYS  25   7.547  -1.053  -4.329
  190   2HG   LYS  25          1HG       LYS  25   6.895  -1.978  -2.975
  191   1HD   LYS  25          2HD       LYS  25   8.969  -2.887  -2.982
  192   2HD   LYS  25          1HD       LYS  25   8.264  -3.919  -4.227
  193   1HE   LYS  25          2HE       LYS  25   9.117  -2.371  -5.949
  194   2HE   LYS  25          1HE       LYS  25   9.876  -1.409  -4.680
  195   1HZ   LYS  25          1HZ       LYS  25  11.501  -2.858  -5.618
  196   2HZ   LYS  25          2HZ       LYS  25  10.513  -4.214  -5.412
  197   3HZ   LYS  25          3HZ       LYS  25  11.152  -3.421  -4.062
  198    H    VAL  26           H        VAL  26   4.553   0.217  -3.459
  199    HA   VAL  26           HA       VAL  26   4.399   1.924  -5.805
  200    HB   VAL  26           HB       VAL  26   4.394   3.044  -3.046
  201   1HG1  VAL  26          1HG1      VAL  26   2.531   4.383  -4.063
  202   2HG1  VAL  26          2HG1      VAL  26   2.881   3.573  -5.591
  203   3HG1  VAL  26          3HG1      VAL  26   4.108   4.584  -4.827
  204   1HG2  VAL  26          1HG2      VAL  26   2.638   0.906  -3.899
  205   2HG2  VAL  26          2HG2      VAL  26   1.741   2.371  -3.498
  206   3HG2  VAL  26          3HG2      VAL  26   2.823   1.646  -2.310
  207    H    ASN  27           H        ASN  27   6.643   0.967  -3.385
  208    HA   ASN  27           HA       ASN  27   8.657   2.750  -4.526
  209   1HB   ASN  27          2HB       ASN  27   9.091   2.466  -1.706
  210   2HB   ASN  27          1HB       ASN  27   8.955   3.934  -2.661
  211   1HD2  ASN  27          1HD2      ASN  27   7.963   3.258   0.030
  212   2HD2  ASN  27          2HD2      ASN  27   6.264   3.566  -0.015
  213    H    TRP  28           H        TRP  28   9.545   1.289  -1.635
  214    HA   TRP  28           HA       TRP  28  10.574  -1.109  -2.965
  215   1HB   TRP  28          2HB       TRP  28  12.763  -0.718  -2.427
  216   2HB   TRP  28          1HB       TRP  28  12.230   0.952  -2.586
  217    HD1  TRP  28           HD1      TRP  28  10.721   1.071   0.292
  218    HE1  TRP  28           HE1      TRP  28  12.168   1.244   2.413
  219    HE3  TRP  28           HE3      TRP  28  15.131  -0.699  -1.590
  220    HZ2  TRP  28           HZ2      TRP  28  14.829   0.701   3.186
  221    HZ3  TRP  28           HZ3      TRP  28  17.081  -0.842  -0.094
  222    HH2  TRP  28           HH2      TRP  28  16.931  -0.155   2.244
  223    H    TRP  29           H        TRP  29   9.072   0.358  -0.329
  224    HA   TRP  29           HA       TRP  29   9.101  -2.177   1.138
  225   1HB   TRP  29          2HB       TRP  29   9.872  -1.311   3.100
  226   2HB   TRP  29          1HB       TRP  29  10.676  -0.184   2.011
  227    HD1  TRP  29           HD1      TRP  29   7.455  -0.384   4.155
  228    HE1  TRP  29           HE1      TRP  29   6.845   2.003   4.897
  229    HE3  TRP  29           HE3      TRP  29  11.062   2.203   1.618
  230    HZ2  TRP  29           HZ2      TRP  29   7.769   4.634   4.464
  231    HZ3  TRP  29           HZ3      TRP  29  11.130   4.653   1.835
  232    HH2  TRP  29           HH2      TRP  29   9.516   5.842   3.229
  233    H    ASP  30           H        ASP  30   7.565   0.861   0.373
  234    HA   ASP  30           HA       ASP  30   5.169   0.165   1.877
  235   1HB   ASP  30          2HB       ASP  30   6.343   2.571   1.364
  236   2HB   ASP  30          1HB       ASP  30   5.094   2.531   0.124
  237    H    HIS  31           H        HIS  31   3.781  -1.195   0.961
  238    HA   HIS  31           HA       HIS  31   3.541  -1.290  -1.945
  239   1HB   HIS  31          2HB       HIS  31   2.817  -3.120   0.305
  240   2HB   HIS  31          1HB       HIS  31   1.940  -3.258  -1.213
  241    HD1  HIS  31           HD1      HIS  31   5.566  -3.216  -0.058
  242    HD2  HIS  31           HD2      HIS  31   3.150  -4.911  -2.983
  243    HE1  HIS  31           HE1      HIS  31   7.058  -4.786  -1.334
  244    HE2  HIS  31           HE2      HIS  31   5.567  -5.833  -3.074
  245    H    LYS  32           H        LYS  32   2.060  -0.049  -2.879
  246    HA   LYS  32           HA       LYS  32  -0.597   0.151  -1.692
  247   1HB   LYS  32          2HB       LYS  32   0.895   2.593  -2.657
  248   2HB   LYS  32          1HB       LYS  32  -0.700   2.545  -1.920
  249   1HG   LYS  32          2HG       LYS  32   0.162   2.685   0.116
  250   2HG   LYS  32          1HG       LYS  32   1.255   1.332  -0.190
  251   1HD   LYS  32          2HD       LYS  32   2.915   2.821  -0.086
  252   2HD   LYS  32          1HD       LYS  32   2.351   3.405  -1.652
  253   1HE   LYS  32          2HE       LYS  32   1.572   4.447   1.067
  254   2HE   LYS  32          1HE       LYS  32   2.561   5.267  -0.141
  255   1HZ   LYS  32          1HZ       LYS  32   0.728   6.105  -1.020
  256   2HZ   LYS  32          2HZ       LYS  32  -0.220   5.320   0.139
  257   3HZ   LYS  32          3HZ       LYS  32   0.128   4.553  -1.327
  258    H    CYS  33           H        CYS  33  -1.230   2.292  -3.631
  259    HA   CYS  33           HA       CYS  33  -1.436   0.596  -6.014
  260   1HB   CYS  33          2HB       CYS  33  -3.167   2.710  -4.803
  261   2HB   CYS  33          1HB       CYS  33  -3.282   2.369  -6.524
  262    H    ILE  34           H        ILE  34  -0.555   1.232  -7.897
  263    HA   ILE  34           HA       ILE  34   0.513   3.975  -8.047
  264    HB   ILE  34           HB       ILE  34   2.051   2.631  -9.830
  265   1HG1  ILE  34          2HG1      ILE  34   0.887   0.510  -8.843
  266   2HG1  ILE  34          1HG1      ILE  34   2.624   0.491  -9.128
  267   1HG2  ILE  34          1HG2      ILE  34   3.589   3.603  -8.560
  268   2HG2  ILE  34          2HG2      ILE  34   3.306   2.433  -7.270
  269   3HG2  ILE  34          3HG2      ILE  34   2.352   3.914  -7.342
  270   1HD1  ILE  34          1HD1      ILE  34   2.673  -0.322  -7.039
  271   2HD1  ILE  34          2HD1      ILE  34   1.115   0.386  -6.611
  272   3HD1  ILE  34          3HD1      ILE  34   2.570   1.382  -6.594
  273    H    GLY  35           HN       GLY  35   1.402   3.402 -10.820
  274   1HA   GLY  35          2HA       GLY  35  -1.218   3.325 -12.168
  275   2HA   GLY  35          1HA       GLY  35  -0.066   4.607 -12.514
  Start of MODEL   15
    1    HN   PCA   1           HN       PCA   1 -12.246  -8.610  -5.901
    2    HA   PCA   1           HA       PCA   1 -13.338  -8.409  -3.420
    3   1HB   PCA   1          1HB       PCA   1 -10.523  -7.599  -2.741
    4   2HB   PCA   1          2HB       PCA   1 -11.702  -8.528  -1.768
    5   1HG   PCA   1          1HG       PCA   1  -9.556  -9.624  -3.306
    6   2HG   PCA   1          2HG       PCA   1 -10.927 -10.541  -2.610
    7    H    GLN   2           H        GLN   2 -12.997  -6.169  -2.268
    8    HA   GLN   2           HA       GLN   2 -13.747  -4.174  -4.020
    9   1HB   GLN   2          2HB       GLN   2 -12.365  -3.073  -1.720
   10   2HB   GLN   2          1HB       GLN   2 -14.070  -3.001  -2.141
   11   1HG   GLN   2          2HG       GLN   2 -13.441  -5.637  -1.252
   12   2HG   GLN   2          1HG       GLN   2 -12.840  -4.467  -0.078
   13   1HE2  GLN   2          1HE2      GLN   2 -15.684  -5.567  -1.813
   14   2HE2  GLN   2          2HE2      GLN   2 -16.841  -4.952  -0.686
   15    H    CYS   3           H        CYS   3 -12.727  -2.526  -5.091
   16    HA   CYS   3           HA       CYS   3 -10.146  -2.936  -6.066
   17   1HB   CYS   3          2HB       CYS   3 -10.443  -1.010  -7.295
   18   2HB   CYS   3          1HB       CYS   3 -12.118  -1.368  -6.899
   19    H    VAL   4           H        VAL   4  -9.069  -0.300  -5.907
   20    HA   VAL   4           HA       VAL   4  -8.506   0.298  -3.148
   21    HB   VAL   4           HB       VAL   4  -6.168  -0.518  -4.858
   22   1HG1  VAL   4          1HG1      VAL   4  -6.459  -0.016  -1.898
   23   2HG1  VAL   4          2HG1      VAL   4  -5.681   1.053  -3.065
   24   3HG1  VAL   4          3HG1      VAL   4  -4.979  -0.526  -2.712
   25   1HG2  VAL   4          1HG2      VAL   4  -7.640  -2.460  -4.434
   26   2HG2  VAL   4          2HG2      VAL   4  -7.486  -2.161  -2.703
   27   3HG2  VAL   4          3HG2      VAL   4  -6.066  -2.603  -3.651
   28    H    LYS   5           H        LYS   5  -8.247   2.409  -2.996
   29    HA   LYS   5           HA       LYS   5  -8.128   4.033  -5.343
   30   1HB   LYS   5          2HB       LYS   5  -8.995   4.364  -2.704
   31   2HB   LYS   5          1HB       LYS   5  -7.666   5.493  -2.907
   32   1HG   LYS   5          2HG       LYS   5  -9.810   6.530  -3.418
   33   2HG   LYS   5          1HG       LYS   5  -8.762   6.477  -4.837
   34   1HD   LYS   5          2HD       LYS   5  -9.983   4.301  -5.421
   35   2HD   LYS   5          1HD       LYS   5 -11.177   4.800  -4.219
   36   1HE   LYS   5          2HE       LYS   5 -11.312   5.461  -6.825
   37   2HE   LYS   5          1HE       LYS   5 -12.004   6.436  -5.530
   38   1HZ   LYS   5          1HZ       LYS   5  -9.355   6.830  -6.815
   39   2HZ   LYS   5          2HZ       LYS   5  -9.921   7.719  -5.490
   40   3HZ   LYS   5          3HZ       LYS   5 -10.715   7.824  -6.980
   41    H    LYS   6           H        LYS   6  -6.547   5.649  -5.807
   42    HA   LYS   6           HA       LYS   6  -3.890   4.737  -5.662
   43   1HB   LYS   6          2HB       LYS   6  -4.075   6.143  -7.439
   44   2HB   LYS   6          1HB       LYS   6  -5.274   7.156  -6.646
   45   1HG   LYS   6          2HG       LYS   6  -3.286   8.439  -7.029
   46   2HG   LYS   6          1HG       LYS   6  -3.471   8.171  -5.295
   47   1HD   LYS   6          2HD       LYS   6  -1.733   6.615  -5.230
   48   2HD   LYS   6          1HD       LYS   6  -1.794   6.335  -6.972
   49   1HE   LYS   6          2HE       LYS   6  -0.507   8.526  -5.435
   50   2HE   LYS   6          1HE       LYS   6   0.065   7.655  -6.857
   51   1HZ   LYS   6          1HZ       LYS   6  -0.962  10.157  -6.860
   52   2HZ   LYS   6          2HZ       LYS   6  -2.290   9.228  -7.348
   53   3HZ   LYS   6          3HZ       LYS   6  -0.840   9.153  -8.217
   54    H    ASP   7           H        ASP   7  -2.144   5.388  -4.435
   55    HA   ASP   7           HA       ASP   7  -0.987   6.410  -2.728
   56   1HB   ASP   7          2HB       ASP   7  -2.536   8.403  -3.171
   57   2HB   ASP   7          1HB       ASP   7  -3.532   7.778  -1.860
   58    H    GLU   8           H        GLU   8  -3.729   4.509  -2.550
   59    HA   GLU   8           HA       GLU   8  -3.594   4.049   0.318
   60   1HB   GLU   8          2HB       GLU   8  -5.430   3.242  -1.887
   61   2HB   GLU   8          1HB       GLU   8  -5.343   2.203  -0.470
   62   1HG   GLU   8          2HG       GLU   8  -5.591   4.931   0.354
   63   2HG   GLU   8          1HG       GLU   8  -6.853   4.541  -0.814
   64    H    LEU   9           H        LEU   9  -2.893   2.147   1.273
   65    HA   LEU   9           HA       LEU   9  -0.784   0.789   0.033
   66   1HB   LEU   9          2HB       LEU   9  -2.430   0.205   2.479
   67   2HB   LEU   9          1HB       LEU   9  -1.088  -0.810   1.992
   68    HG   LEU   9           HG       LEU   9  -0.915   1.315   3.689
   69   1HD1  LEU   9          1HD1      LEU   9   1.563   0.909   2.245
   70   2HD1  LEU   9          2HD1      LEU   9   0.753  -0.610   2.629
   71   3HD1  LEU   9          3HD1      LEU   9   1.152   0.527   3.917
   72   1HD2  LEU   9          1HD2      LEU   9  -0.428   3.249   2.689
   73   2HD2  LEU   9          2HD2      LEU   9  -1.138   2.536   1.241
   74   3HD2  LEU   9          3HD2      LEU   9   0.606   2.468   1.493
   75    H    CYS  10           H        CYS  10  -0.905  -1.822   0.318
   76    HA   CYS  10           HA       CYS  10  -3.104  -3.313  -0.277
   77   1HB   CYS  10          2HB       CYS  10  -3.168  -1.621  -2.259
   78   2HB   CYS  10          1HB       CYS  10  -1.867  -2.607  -2.917
   79    H    ILE  11           H        ILE  11  -2.331  -5.127  -2.131
   80    HA   ILE  11           HA       ILE  11   0.459  -5.775  -1.646
   81    HB   ILE  11           HB       ILE  11  -1.483  -7.969  -1.167
   82   1HG1  ILE  11          2HG1      ILE  11  -0.664  -6.072   1.036
   83   2HG1  ILE  11          1HG1      ILE  11  -2.219  -5.974   0.213
   84   1HG2  ILE  11          1HG2      ILE  11   0.986  -7.469   0.419
   85   2HG2  ILE  11          2HG2      ILE  11   1.149  -7.982  -1.261
   86   3HG2  ILE  11          3HG2      ILE  11   0.275  -8.994  -0.110
   87   1HD1  ILE  11          1HD1      ILE  11  -1.423  -8.576   1.394
   88   2HD1  ILE  11          2HD1      ILE  11  -3.021  -7.851   1.215
   89   3HD1  ILE  11          3HD1      ILE  11  -1.929  -7.278   2.475
   90    HA   PRO  12           HA       PRO  12  -0.225  -6.887  -5.934
   91   1HB   PRO  12          2HB       PRO  12   2.358  -7.590  -6.441
   92   2HB   PRO  12          1HB       PRO  12   1.803  -5.913  -6.394
   93   1HG   PRO  12          2HG       PRO  12   3.202  -7.506  -4.281
   94   2HG   PRO  12          1HG       PRO  12   3.479  -5.828  -4.786
   95   1HD   PRO  12          2HD       PRO  12   2.069  -6.455  -2.567
   96   2HD   PRO  12          1HD       PRO  12   1.692  -5.031  -3.560
   97    H    TYR  13           H        TYR  13  -0.458  -8.780  -3.542
   98    HA   TYR  13           HA       TYR  13  -0.533 -11.201  -5.086
   99   1HB   TYR  13          2HB       TYR  13   1.525 -10.808  -2.931
  100   2HB   TYR  13          1HB       TYR  13   0.869 -12.409  -3.257
  101    HD1  TYR  13           HD1      TYR  13   3.401 -10.113  -4.093
  102    HD2  TYR  13           HD2      TYR  13   0.947 -13.151  -5.780
  103    HE1  TYR  13           HE1      TYR  13   5.020 -10.396  -5.921
  104    HE2  TYR  13           HE2      TYR  13   2.560 -13.444  -7.613
  105    HH   TYR  13           HH       TYR  13   5.487 -12.701  -7.625
  106    H    TYR  14           H        TYR  14  -2.060  -9.279  -3.220
  107    HA   TYR  14           HA       TYR  14  -3.485 -11.401  -1.796
  108   1HB   TYR  14          2HB       TYR  14  -1.964  -9.234  -0.564
  109   2HB   TYR  14          1HB       TYR  14  -3.645  -9.263  -0.042
  110    HD1  TYR  14           HD1      TYR  14  -4.534 -11.661   0.644
  111    HD2  TYR  14           HD2      TYR  14  -0.437 -10.520   0.586
  112    HE1  TYR  14           HE1      TYR  14  -4.014 -13.471   2.223
  113    HE2  TYR  14           HE2      TYR  14   0.096 -12.326   2.164
  114    HH   TYR  14           HH       TYR  14  -2.071 -13.855   4.011
  115    H    LEU  15           H        LEU  15  -3.413  -8.141  -3.088
  116    HA   LEU  15           HA       LEU  15  -6.266  -8.311  -3.626
  117   1HB   LEU  15          2HB       LEU  15  -5.509  -5.695  -2.546
  118   2HB   LEU  15          1HB       LEU  15  -6.959  -6.647  -2.281
  119    HG   LEU  15           HG       LEU  15  -5.309  -8.115  -0.826
  120   1HD1  LEU  15          1HD1      LEU  15  -3.998  -5.974   0.325
  121   2HD1  LEU  15          2HD1      LEU  15  -3.787  -5.719  -1.407
  122   3HD1  LEU  15          3HD1      LEU  15  -3.272  -7.236  -0.669
  123   1HD2  LEU  15          1HD2      LEU  15  -7.363  -6.947  -0.082
  124   2HD2  LEU  15          2HD2      LEU  15  -6.401  -5.491   0.171
  125   3HD2  LEU  15          3HD2      LEU  15  -6.077  -6.939   1.124
  126    H    ASP  16           H        ASP  16  -6.972  -6.273  -4.881
  127    HA   ASP  16           HA       ASP  16  -4.791  -5.362  -6.633
  128   1HB   ASP  16          2HB       ASP  16  -7.552  -6.126  -7.600
  129   2HB   ASP  16          1HB       ASP  16  -6.172  -5.659  -8.588
  130    H    CYS  17           H        CYS  17  -5.261  -3.358  -7.792
  131    HA   CYS  17           HA       CYS  17  -6.776  -1.541  -6.113
  132   1HB   CYS  17          2HB       CYS  17  -4.915  -1.063  -8.446
  133   2HB   CYS  17          1HB       CYS  17  -5.713   0.208  -7.536
  134    H    CYS  18           H        CYS  18  -8.040   0.218  -7.267
  135    HA   CYS  18           HA       CYS  18 -10.184  -0.936  -8.643
  136   1HB   CYS  18          2HB       CYS  18  -9.674   1.973  -8.991
  137   2HB   CYS  18          1HB       CYS  18 -11.162   1.126  -8.580
  138    H    GLU  19           H        GLU  19  -8.757   1.857 -10.165
  139    HA   GLU  19           HA       GLU  19  -7.349   0.816 -12.263
  140   1HB   GLU  19          2HB       GLU  19  -9.781  -0.293 -12.510
  141   2HB   GLU  19          1HB       GLU  19 -10.067   1.196 -13.400
  142   1HG   GLU  19          2HG       GLU  19  -8.458   0.682 -15.010
  143   2HG   GLU  19          1HG       GLU  19  -7.708  -0.549 -13.994
  144    HA   PRO  20           HA       PRO  20  -6.914   1.227 -14.322
  145   1HB   PRO  20          2HB       PRO  20  -4.936   2.589 -15.512
  146   2HB   PRO  20          1HB       PRO  20  -6.602   2.676 -16.100
  147   1HG   PRO  20          2HG       PRO  20  -5.081   4.627 -14.421
  148   2HG   PRO  20          1HG       PRO  20  -6.196   4.934 -15.762
  149   1HD   PRO  20          2HD       PRO  20  -6.874   5.121 -13.097
  150   2HD   PRO  20          1HD       PRO  20  -8.034   4.829 -14.408
  151    H    LEU  21           H        LEU  21  -6.230   2.556 -11.538
  152    HA   LEU  21           HA       LEU  21  -3.459   2.413 -11.172
  153   1HB   LEU  21          2HB       LEU  21  -5.591   1.794  -9.127
  154   2HB   LEU  21          1HB       LEU  21  -3.935   2.269  -8.799
  155    HG   LEU  21           HG       LEU  21  -5.758   4.091 -10.333
  156   1HD1  LEU  21          1HD1      LEU  21  -7.002   3.580  -8.342
  157   2HD1  LEU  21          2HD1      LEU  21  -6.303   5.190  -8.183
  158   3HD1  LEU  21          3HD1      LEU  21  -5.575   3.824  -7.337
  159   1HD2  LEU  21          1HD2      LEU  21  -3.530   4.812 -10.401
  160   2HD2  LEU  21          2HD2      LEU  21  -3.246   4.382  -8.715
  161   3HD2  LEU  21          3HD2      LEU  21  -4.265   5.766  -9.112
  162    H    GLU  22           H        GLU  22  -2.449   0.762  -9.599
  163    HA   GLU  22           HA       GLU  22  -3.400  -1.958 -10.120
  164   1HB   GLU  22          2HB       GLU  22  -1.678  -1.239 -11.851
  165   2HB   GLU  22          1HB       GLU  22  -0.511  -1.204 -10.537
  166   1HG   GLU  22          2HG       GLU  22  -1.371  -3.643 -10.124
  167   2HG   GLU  22          1HG       GLU  22  -1.867  -3.524 -11.811
  168    H    CYS  23           H        CYS  23  -3.404  -3.108  -8.316
  169    HA   CYS  23           HA       CYS  23  -2.321  -2.100  -5.885
  170   1HB   CYS  23          2HB       CYS  23  -4.307  -3.398  -5.727
  171   2HB   CYS  23          1HB       CYS  23  -3.605  -4.722  -6.649
  172    H    LYS  24           H        LYS  24  -0.080  -1.873  -6.258
  173    HA   LYS  24           HA       LYS  24   1.404  -4.369  -5.936
  174   1HB   LYS  24          2HB       LYS  24   2.497  -4.280  -7.893
  175   2HB   LYS  24          1HB       LYS  24   1.250  -3.151  -8.408
  176   1HG   LYS  24          2HG       LYS  24   2.985  -1.517  -7.076
  177   2HG   LYS  24          1HG       LYS  24   4.067  -2.693  -7.819
  178   1HD   LYS  24          2HD       LYS  24   1.947  -1.701  -9.584
  179   2HD   LYS  24          1HD       LYS  24   3.094  -0.470  -9.053
  180   1HE   LYS  24          2HE       LYS  24   3.893  -1.415 -11.105
  181   2HE   LYS  24          1HE       LYS  24   4.942  -1.955  -9.795
  182   1HZ   LYS  24          1HZ       LYS  24   4.422  -4.069 -10.185
  183   2HZ   LYS  24          2HZ       LYS  24   3.729  -3.552 -11.639
  184   3HZ   LYS  24          3HZ       LYS  24   2.762  -3.749 -10.265
  185    H    LYS  25           H        LYS  25   3.952  -3.339  -6.134
  186    HA   LYS  25           HA       LYS  25   4.180  -1.916  -3.639
  187   1HB   LYS  25          2HB       LYS  25   5.826  -3.557  -3.921
  188   2HB   LYS  25          1HB       LYS  25   6.129  -3.101  -5.591
  189   1HG   LYS  25          2HG       LYS  25   7.242  -1.086  -4.889
  190   2HG   LYS  25          1HG       LYS  25   6.835  -1.411  -3.202
  191   1HD   LYS  25          2HD       LYS  25   9.088  -2.086  -3.486
  192   2HD   LYS  25          1HD       LYS  25   8.130  -3.567  -3.435
  193   1HE   LYS  25          2HE       LYS  25   8.263  -3.834  -5.793
  194   2HE   LYS  25          1HE       LYS  25   8.934  -2.217  -6.001
  195   1HZ   LYS  25          1HZ       LYS  25  10.975  -2.983  -5.664
  196   2HZ   LYS  25          2HZ       LYS  25  10.347  -4.552  -5.748
  197   3HZ   LYS  25          3HZ       LYS  25  10.529  -3.794  -4.246
  198    H    VAL  26           H        VAL  26   4.497   0.179  -3.344
  199    HA   VAL  26           HA       VAL  26   4.535   1.935  -5.657
  200    HB   VAL  26           HB       VAL  26   4.688   3.065  -2.924
  201   1HG1  VAL  26          1HG1      VAL  26   3.437   3.684  -5.532
  202   2HG1  VAL  26          2HG1      VAL  26   4.275   4.739  -4.394
  203   3HG1  VAL  26          3HG1      VAL  26   2.606   4.258  -4.087
  204   1HG2  VAL  26          1HG2      VAL  26   2.186   2.663  -2.672
  205   2HG2  VAL  26          2HG2      VAL  26   3.252   1.298  -2.340
  206   3HG2  VAL  26          3HG2      VAL  26   2.383   1.388  -3.872
  207    H    ASN  27           H        ASN  27   6.662   0.659  -3.293
  208    HA   ASN  27           HA       ASN  27   8.877   2.158  -4.433
  209   1HB   ASN  27          2HB       ASN  27   9.049   1.978  -1.531
  210   2HB   ASN  27          1HB       ASN  27   9.441   3.315  -2.599
  211   1HD2  ASN  27          1HD2      ASN  27   6.772   1.629  -1.043
  212   2HD2  ASN  27          2HD2      ASN  27   5.718   2.995  -0.962
  213    H    TRP  28           H        TRP  28   9.402   0.716  -1.397
  214    HA   TRP  28           HA       TRP  28  10.152  -1.861  -2.538
  215   1HB   TRP  28          2HB       TRP  28  12.387  -1.692  -2.174
  216   2HB   TRP  28          1HB       TRP  28  12.072   0.036  -2.325
  217    HD1  TRP  28           HD1      TRP  28  10.980   0.786   0.464
  218    HE1  TRP  28           HE1      TRP  28  12.447   0.612   2.572
  219    HE3  TRP  28           HE3      TRP  28  14.452  -2.560  -1.236
  220    HZ2  TRP  28           HZ2      TRP  28  14.769  -0.761   3.403
  221    HZ3  TRP  28           HZ3      TRP  28  16.264  -3.252   0.278
  222    HH2  TRP  28           HH2      TRP  28  16.418  -2.369   2.549
  223    H    TRP  29           H        TRP  29   9.433   0.170   0.184
  224    HA   TRP  29           HA       TRP  29   9.163  -2.219   1.888
  225   1HB   TRP  29          2HB       TRP  29   9.890  -1.035   3.708
  226   2HB   TRP  29          1HB       TRP  29  10.756  -0.157   2.452
  227    HD1  TRP  29           HD1      TRP  29   7.714   0.180   4.773
  228    HE1  TRP  29           HE1      TRP  29   7.095   2.671   4.948
  229    HE3  TRP  29           HE3      TRP  29  10.928   2.064   1.271
  230    HZ2  TRP  29           HZ2      TRP  29   7.864   5.112   3.758
  231    HZ3  TRP  29           HZ3      TRP  29  10.922   4.487   0.849
  232    HH2  TRP  29           HH2      TRP  29   9.421   5.979   2.067
  233    H    ASP  30           H        ASP  30   7.533   0.374   0.371
  234    HA   ASP  30           HA       ASP  30   5.115  -0.188   1.958
  235   1HB   ASP  30          2HB       ASP  30   6.316   2.242   1.698
  236   2HB   ASP  30          1HB       ASP  30   5.158   2.295   0.373
  237    H    HIS  31           H        HIS  31   3.489  -1.123   0.928
  238    HA   HIS  31           HA       HIS  31   3.497  -1.120  -2.010
  239   1HB   HIS  31          2HB       HIS  31   2.694  -3.127   0.050
  240   2HB   HIS  31          1HB       HIS  31   1.843  -3.120  -1.487
  241    HD1  HIS  31           HD1      HIS  31   5.375  -3.425  -0.145
  242    HD2  HIS  31           HD2      HIS  31   3.136  -4.439  -3.494
  243    HE1  HIS  31           HE1      HIS  31   6.890  -4.849  -1.559
  244    HE2  HIS  31           HE2      HIS  31   5.544  -5.375  -3.623
  245    H    LYS  32           H        LYS  32   1.875  -0.110  -3.042
  246    HA   LYS  32           HA       LYS  32  -0.712   0.198  -1.749
  247   1HB   LYS  32          2HB       LYS  32   0.582   2.645  -2.913
  248   2HB   LYS  32          1HB       LYS  32  -0.793   2.535  -1.822
  249   1HG   LYS  32          2HG       LYS  32   0.833   1.662  -0.087
  250   2HG   LYS  32          1HG       LYS  32   2.117   2.171  -1.184
  251   1HD   LYS  32          2HD       LYS  32   0.174   4.270  -0.855
  252   2HD   LYS  32          1HD       LYS  32   0.780   3.735   0.714
  253   1HE   LYS  32          2HE       LYS  32   2.045   5.408  -1.199
  254   2HE   LYS  32          1HE       LYS  32   2.641   4.895   0.379
  255   1HZ   LYS  32          1HZ       LYS  32   3.232   3.814  -2.273
  256   2HZ   LYS  32          2HZ       LYS  32   3.197   2.727  -0.977
  257   3HZ   LYS  32          3HZ       LYS  32   4.257   4.044  -0.947
  258    H    CYS  33           H        CYS  33  -1.349   2.329  -3.712
  259    HA   CYS  33           HA       CYS  33  -1.758   0.590  -6.036
  260   1HB   CYS  33          2HB       CYS  33  -3.303   2.838  -4.802
  261   2HB   CYS  33          1HB       CYS  33  -3.545   2.435  -6.494
  262    H    ILE  34           H        ILE  34  -1.158   1.238  -8.066
  263    HA   ILE  34           HA       ILE  34   0.148   3.866  -8.299
  264    HB   ILE  34           HB       ILE  34   1.452   2.375 -10.167
  265   1HG1  ILE  34          2HG1      ILE  34   0.334   0.327  -9.196
  266   2HG1  ILE  34          1HG1      ILE  34   2.093   0.266  -9.247
  267   1HG2  ILE  34          1HG2      ILE  34   2.642   2.368  -7.460
  268   2HG2  ILE  34          2HG2      ILE  34   2.137   3.930  -8.105
  269   3HG2  ILE  34          3HG2      ILE  34   3.302   2.946  -8.990
  270   1HD1  ILE  34          1HD1      ILE  34   0.266   0.464  -6.916
  271   2HD1  ILE  34          2HD1      ILE  34   1.871   1.186  -6.801
  272   3HD1  ILE  34          3HD1      ILE  34   1.701  -0.534  -7.152
  273    H    GLY  35           HN       GLY  35   0.741   3.881 -10.951
  274   1HA   GLY  35          2HA       GLY  35  -1.864   3.467 -12.273
  275   2HA   GLY  35          1HA       GLY  35  -0.969   4.968 -12.457
  Start of MODEL   16
    1    HN   PCA   1           HN       PCA   1 -10.865  -7.482  -1.223
    2    HA   PCA   1           HA       PCA   1 -12.507  -8.107  -3.115
    3   1HB   PCA   1          1HB       PCA   1 -14.720  -6.944  -1.445
    4   2HB   PCA   1          2HB       PCA   1 -14.723  -8.411  -2.469
    5   1HG   PCA   1          1HG       PCA   1 -14.526  -8.449   0.321
    6   2HG   PCA   1          2HG       PCA   1 -13.918  -9.756  -0.743
    7    H    GLN   2           H        GLN   2 -14.032  -6.390  -4.196
    8    HA   GLN   2           HA       GLN   2 -14.182  -4.353  -5.190
    9   1HB   GLN   2          2HB       GLN   2 -15.086  -3.531  -3.153
   10   2HB   GLN   2          1HB       GLN   2 -13.507  -3.509  -2.379
   11   1HG   GLN   2          2HG       GLN   2 -12.833  -1.608  -3.525
   12   2HG   GLN   2          1HG       GLN   2 -14.058  -1.810  -4.776
   13   1HE2  GLN   2          1HE2      GLN   2 -15.401  -0.164  -4.675
   14   2HE2  GLN   2          2HE2      GLN   2 -16.107   0.488  -3.240
   15    H    CYS   3           H        CYS   3 -12.934  -2.276  -5.628
   16    HA   CYS   3           HA       CYS   3 -10.318  -3.008  -6.509
   17   1HB   CYS   3          2HB       CYS   3 -10.335  -1.030  -7.716
   18   2HB   CYS   3          1HB       CYS   3 -12.056  -1.356  -7.576
   19    H    VAL   4           H        VAL   4  -9.134  -0.418  -6.240
   20    HA   VAL   4           HA       VAL   4  -8.774   0.125  -3.430
   21    HB   VAL   4           HB       VAL   4  -6.367  -0.766  -5.015
   22   1HG1  VAL   4          1HG1      VAL   4  -6.116   0.916  -3.142
   23   2HG1  VAL   4          2HG1      VAL   4  -5.151  -0.554  -3.003
   24   3HG1  VAL   4          3HG1      VAL   4  -6.622  -0.370  -2.047
   25   1HG2  VAL   4          1HG2      VAL   4  -8.166  -2.543  -4.338
   26   2HG2  VAL   4          2HG2      VAL   4  -7.466  -2.339  -2.732
   27   3HG2  VAL   4          3HG2      VAL   4  -6.453  -2.866  -4.075
   28    H    LYS   5           H        LYS   5  -8.398   2.233  -3.193
   29    HA   LYS   5           HA       LYS   5  -8.120   3.875  -5.522
   30   1HB   LYS   5          2HB       LYS   5  -9.198   4.204  -2.973
   31   2HB   LYS   5          1HB       LYS   5  -7.830   5.303  -3.036
   32   1HG   LYS   5          2HG       LYS   5 -10.326   5.300  -4.656
   33   2HG   LYS   5          1HG       LYS   5  -9.527   6.632  -3.817
   34   1HD   LYS   5          2HD       LYS   5  -7.824   6.760  -5.477
   35   2HD   LYS   5          1HD       LYS   5  -8.355   5.252  -6.224
   36   1HE   LYS   5          2HE       LYS   5  -9.435   6.620  -7.645
   37   2HE   LYS   5          1HE       LYS   5 -10.631   6.708  -6.352
   38   1HZ   LYS   5          1HZ       LYS   5 -10.281   8.906  -6.662
   39   2HZ   LYS   5          2HZ       LYS   5  -8.703   8.707  -7.238
   40   3HZ   LYS   5          3HZ       LYS   5  -9.013   8.633  -5.577
   41    H    LYS   6           H        LYS   6  -6.532   5.535  -5.802
   42    HA   LYS   6           HA       LYS   6  -3.884   4.623  -5.520
   43   1HB   LYS   6          2HB       LYS   6  -4.058   6.078  -7.287
   44   2HB   LYS   6          1HB       LYS   6  -5.191   7.130  -6.449
   45   1HG   LYS   6          2HG       LYS   6  -3.568   8.490  -5.786
   46   2HG   LYS   6          1HG       LYS   6  -2.590   7.148  -5.187
   47   1HD   LYS   6          2HD       LYS   6  -1.694   6.751  -7.384
   48   2HD   LYS   6          1HD       LYS   6  -2.783   7.947  -8.089
   49   1HE   LYS   6          2HE       LYS   6  -0.980   8.828  -5.901
   50   2HE   LYS   6          1HE       LYS   6  -0.262   8.511  -7.479
   51   1HZ   LYS   6          1HZ       LYS   6  -2.542  10.007  -7.944
   52   2HZ   LYS   6          2HZ       LYS   6  -0.936  10.516  -8.086
   53   3HZ   LYS   6          3HZ       LYS   6  -1.769  10.746  -6.632
   54    H    ASP   7           H        ASP   7  -2.217   5.282  -4.174
   55    HA   ASP   7           HA       ASP   7  -1.195   6.270  -2.359
   56   1HB   ASP   7          2HB       ASP   7  -3.894   7.568  -1.907
   57   2HB   ASP   7          1HB       ASP   7  -2.452   7.891  -0.949
   58    H    GLU   8           H        GLU   8  -3.910   4.305  -2.434
   59    HA   GLU   8           HA       GLU   8  -3.887   3.689   0.409
   60   1HB   GLU   8          2HB       GLU   8  -5.524   2.614  -1.892
   61   2HB   GLU   8          1HB       GLU   8  -5.674   2.040  -0.236
   62   1HG   GLU   8          2HG       GLU   8  -6.196   4.410   0.422
   63   2HG   GLU   8          1HG       GLU   8  -6.293   4.780  -1.299
   64    H    LEU   9           H        LEU   9  -3.044   1.866   1.301
   65    HA   LEU   9           HA       LEU   9  -0.943   0.561  -0.014
   66   1HB   LEU   9          2HB       LEU   9  -2.444   0.037   2.527
   67   2HB   LEU   9          1HB       LEU   9  -1.198  -1.064   1.979
   68    HG   LEU   9           HG       LEU   9  -0.902   1.328   3.475
   69   1HD1  LEU   9          1HD1      LEU   9   1.584   0.232   2.552
   70   2HD1  LEU   9          2HD1      LEU   9   0.457  -1.061   2.965
   71   3HD1  LEU   9          3HD1      LEU   9   0.859   0.174   4.159
   72   1HD2  LEU   9          1HD2      LEU   9   1.087   2.081   1.828
   73   2HD2  LEU   9          2HD2      LEU   9  -0.512   2.827   1.832
   74   3HD2  LEU   9          3HD2      LEU   9  -0.120   1.586   0.642
   75    H    CYS  10           H        CYS  10  -0.949  -2.035   0.246
   76    HA   CYS  10           HA       CYS  10  -3.192  -3.548  -0.286
   77   1HB   CYS  10          2HB       CYS  10  -3.226  -1.953  -2.316
   78   2HB   CYS  10          1HB       CYS  10  -1.853  -2.888  -2.896
   79    H    ILE  11           H        ILE  11  -2.330  -5.388  -2.127
   80    HA   ILE  11           HA       ILE  11   0.415  -6.056  -1.481
   81    HB   ILE  11           HB       ILE  11  -1.570  -8.223  -1.048
   82   1HG1  ILE  11          2HG1      ILE  11  -2.245  -6.105   0.267
   83   2HG1  ILE  11          1HG1      ILE  11  -2.095  -7.618   1.154
   84   1HG2  ILE  11          1HG2      ILE  11   1.238  -7.645  -0.468
   85   2HG2  ILE  11          2HG2      ILE  11   0.426  -9.191  -0.710
   86   3HG2  ILE  11          3HG2      ILE  11   0.369  -8.403   0.866
   87   1HD1  ILE  11          1HD1      ILE  11   0.166  -6.931   1.862
   88   2HD1  ILE  11          2HD1      ILE  11  -1.102  -5.837   2.417
   89   3HD1  ILE  11          3HD1      ILE  11  -0.083  -5.385   1.049
   90    HA   PRO  12           HA       PRO  12  -0.064  -7.115  -5.818
   91   1HB   PRO  12          2HB       PRO  12   2.529  -8.021  -6.077
   92   2HB   PRO  12          1HB       PRO  12   2.036  -6.332  -6.235
   93   1HG   PRO  12          2HG       PRO  12   3.230  -7.746  -3.890
   94   2HG   PRO  12          1HG       PRO  12   3.554  -6.113  -4.500
   95   1HD   PRO  12          2HD       PRO  12   2.001  -6.536  -2.349
   96   2HD   PRO  12          1HD       PRO  12   1.661  -5.229  -3.503
   97    H    TYR  13           H        TYR  13  -0.530  -8.983  -3.421
   98    HA   TYR  13           HA       TYR  13  -0.707 -11.389  -4.979
   99   1HB   TYR  13          2HB       TYR  13   0.742 -11.890  -2.445
  100   2HB   TYR  13          1HB       TYR  13   0.873 -12.707  -3.998
  101    HD1  TYR  13           HD1      TYR  13   2.144 -10.009  -1.903
  102    HD2  TYR  13           HD2      TYR  13   2.347 -11.818  -5.748
  103    HE1  TYR  13           HE1      TYR  13   4.237  -8.799  -2.355
  104    HE2  TYR  13           HE2      TYR  13   4.441 -10.614  -6.211
  105    HH   TYR  13           HH       TYR  13   6.383  -9.540  -4.408
  106    H    TYR  14           H        TYR  14  -2.451  -9.546  -3.538
  107    HA   TYR  14           HA       TYR  14  -3.949 -11.529  -2.042
  108   1HB   TYR  14          2HB       TYR  14  -2.441  -9.405  -0.747
  109   2HB   TYR  14          1HB       TYR  14  -4.160  -9.306  -0.377
  110    HD1  TYR  14           HD1      TYR  14  -1.286 -10.392   0.985
  111    HD2  TYR  14           HD2      TYR  14  -5.087 -11.967  -0.099
  112    HE1  TYR  14           HE1      TYR  14  -1.024 -12.167   2.666
  113    HE2  TYR  14           HE2      TYR  14  -4.835 -13.746   1.579
  114    HH   TYR  14           HH       TYR  14  -3.428 -13.945   3.854
  115    H    LEU  15           H        LEU  15  -3.823  -8.036  -2.751
  116    HA   LEU  15           HA       LEU  15  -6.611  -8.225  -3.676
  117   1HB   LEU  15          2HB       LEU  15  -5.771  -5.590  -2.746
  118   2HB   LEU  15          1HB       LEU  15  -7.256  -6.472  -2.443
  119    HG   LEU  15           HG       LEU  15  -4.689  -7.129  -1.026
  120   1HD1  LEU  15          1HD1      LEU  15  -5.232  -4.787  -0.610
  121   2HD1  LEU  15          2HD1      LEU  15  -5.481  -5.775   0.829
  122   3HD1  LEU  15          3HD1      LEU  15  -6.864  -5.250  -0.131
  123   1HD2  LEU  15          1HD2      LEU  15  -7.466  -8.062  -0.951
  124   2HD2  LEU  15          2HD2      LEU  15  -6.764  -7.716   0.629
  125   3HD2  LEU  15          3HD2      LEU  15  -5.981  -8.870  -0.451
  126    H    ASP  16           H        ASP  16  -7.100  -6.009  -4.912
  127    HA   ASP  16           HA       ASP  16  -4.857  -5.335  -6.668
  128   1HB   ASP  16          2HB       ASP  16  -6.964  -7.061  -7.430
  129   2HB   ASP  16          1HB       ASP  16  -7.251  -5.527  -8.246
  130    H    CYS  17           H        CYS  17  -5.172  -3.344  -7.860
  131    HA   CYS  17           HA       CYS  17  -6.774  -1.458  -6.347
  132   1HB   CYS  17          2HB       CYS  17  -4.768  -1.035  -8.568
  133   2HB   CYS  17          1HB       CYS  17  -5.550   0.240  -7.653
  134    H    CYS  18           H        CYS  18  -8.019   0.215  -7.503
  135    HA   CYS  18           HA       CYS  18 -10.013  -0.893  -9.096
  136   1HB   CYS  18          2HB       CYS  18  -9.478   2.022  -9.337
  137   2HB   CYS  18          1HB       CYS  18 -10.996   1.171  -9.077
  138    H    GLU  19           H        GLU  19  -8.275   1.881 -10.362
  139    HA   GLU  19           HA       GLU  19  -6.750   0.959 -12.362
  140   1HB   GLU  19          2HB       GLU  19  -8.483  -0.503 -13.160
  141   2HB   GLU  19          1HB       GLU  19  -9.644   0.816 -13.207
  142   1HG   GLU  19          2HG       GLU  19  -7.949   1.864 -14.890
  143   2HG   GLU  19          1HG       GLU  19  -7.399   0.198 -15.065
  144    HA   PRO  20           HA       PRO  20  -6.141   1.480 -14.481
  145   1HB   PRO  20          2HB       PRO  20  -4.019   3.462 -14.752
  146   2HB   PRO  20          1HB       PRO  20  -4.953   2.655 -16.011
  147   1HG   PRO  20          2HG       PRO  20  -5.223   5.293 -15.450
  148   2HG   PRO  20          1HG       PRO  20  -6.559   4.297 -16.058
  149   1HD   PRO  20          2HD       PRO  20  -5.981   5.188 -13.256
  150   2HD   PRO  20          1HD       PRO  20  -7.535   5.104 -14.114
  151    H    LEU  21           H        LEU  21  -5.724   2.963 -11.552
  152    HA   LEU  21           HA       LEU  21  -3.134   2.586 -10.750
  153   1HB   LEU  21          2HB       LEU  21  -5.494   1.815  -9.045
  154   2HB   LEU  21          1HB       LEU  21  -3.932   2.399  -8.506
  155    HG   LEU  21           HG       LEU  21  -5.799   4.096 -10.149
  156   1HD1  LEU  21          1HD1      LEU  21  -5.893   5.048  -7.562
  157   2HD1  LEU  21          2HD1      LEU  21  -6.022   3.300  -7.367
  158   3HD1  LEU  21          3HD1      LEU  21  -7.169   4.159  -8.396
  159   1HD2  LEU  21          1HD2      LEU  21  -3.275   4.570  -9.850
  160   2HD2  LEU  21          2HD2      LEU  21  -3.722   5.027  -8.206
  161   3HD2  LEU  21          3HD2      LEU  21  -4.427   5.878  -9.580
  162    H    GLU  22           H        GLU  22  -2.305   0.835  -9.244
  163    HA   GLU  22           HA       GLU  22  -3.267  -1.835  -9.934
  164   1HB   GLU  22          2HB       GLU  22  -1.551  -1.298 -11.613
  165   2HB   GLU  22          1HB       GLU  22  -0.400  -0.958 -10.327
  166   1HG   GLU  22          2HG       GLU  22   0.232  -3.076 -10.707
  167   2HG   GLU  22          1HG       GLU  22  -1.123  -3.450  -9.642
  168    H    CYS  23           H        CYS  23  -2.976  -3.332  -8.353
  169    HA   CYS  23           HA       CYS  23  -2.149  -2.351  -5.763
  170   1HB   CYS  23          2HB       CYS  23  -4.113  -3.708  -5.787
  171   2HB   CYS  23          1HB       CYS  23  -3.310  -4.972  -6.712
  172    H    LYS  24           H        LYS  24   0.108  -2.028  -6.219
  173    HA   LYS  24           HA       LYS  24   1.660  -4.446  -5.755
  174   1HB   LYS  24          2HB       LYS  24   3.292  -3.374  -7.591
  175   2HB   LYS  24          1HB       LYS  24   2.085  -4.591  -7.980
  176   1HG   LYS  24          2HG       LYS  24   1.213  -3.195  -9.456
  177   2HG   LYS  24          1HG       LYS  24   0.775  -2.113  -8.132
  178   1HD   LYS  24          2HD       LYS  24   2.049  -0.766  -9.550
  179   2HD   LYS  24          1HD       LYS  24   3.196  -1.261  -8.304
  180   1HE   LYS  24          2HE       LYS  24   4.366  -1.559 -10.302
  181   2HE   LYS  24          1HE       LYS  24   3.801  -3.178  -9.892
  182   1HZ   LYS  24          1HZ       LYS  24   2.328  -3.201 -11.606
  183   2HZ   LYS  24          2HZ       LYS  24   3.500  -2.189 -12.289
  184   3HZ   LYS  24          3HZ       LYS  24   2.101  -1.524 -11.607
  185    H    LYS  25           H        LYS  25   4.178  -3.512  -5.983
  186    HA   LYS  25           HA       LYS  25   4.534  -2.000  -3.642
  187   1HB   LYS  25          2HB       LYS  25   6.267  -3.492  -4.422
  188   2HB   LYS  25          1HB       LYS  25   6.440  -2.576  -5.914
  189   1HG   LYS  25          2HG       LYS  25   7.797  -1.078  -4.970
  190   2HG   LYS  25          1HG       LYS  25   6.804  -0.959  -3.515
  191   1HD   LYS  25          2HD       LYS  25   9.032  -1.829  -3.005
  192   2HD   LYS  25          1HD       LYS  25   7.782  -3.029  -2.668
  193   1HE   LYS  25          2HE       LYS  25   8.295  -3.808  -5.112
  194   2HE   LYS  25          1HE       LYS  25   9.821  -2.966  -4.848
  195   1HZ   LYS  25          1HZ       LYS  25  10.006  -4.336  -2.754
  196   2HZ   LYS  25          2HZ       LYS  25  10.187  -5.177  -4.210
  197   3HZ   LYS  25          3HZ       LYS  25   8.733  -5.276  -3.353
  198    H    VAL  26           H        VAL  26   4.405   0.088  -3.274
  199    HA   VAL  26           HA       VAL  26   4.080   1.926  -5.503
  200    HB   VAL  26           HB       VAL  26   3.704   2.201  -2.527
  201   1HG1  VAL  26          1HG1      VAL  26   3.284   4.485  -2.704
  202   2HG1  VAL  26          2HG1      VAL  26   3.168   4.424  -4.464
  203   3HG1  VAL  26          3HG1      VAL  26   4.737   4.252  -3.676
  204   1HG2  VAL  26          1HG2      VAL  26   1.427   3.037  -3.805
  205   2HG2  VAL  26          2HG2      VAL  26   1.696   1.428  -3.133
  206   3HG2  VAL  26          3HG2      VAL  26   1.996   1.731  -4.845
  207    H    ASN  27           H        ASN  27   6.430   0.976  -3.181
  208    HA   ASN  27           HA       ASN  27   8.304   2.936  -4.267
  209   1HB   ASN  27          2HB       ASN  27   8.967   2.666  -1.549
  210   2HB   ASN  27          1HB       ASN  27   8.375   4.104  -2.370
  211   1HD2  ASN  27          1HD2      ASN  27   6.766   4.998  -1.324
  212   2HD2  ASN  27          2HD2      ASN  27   5.505   4.168  -0.483
  213    H    TRP  28           H        TRP  28   9.662   1.647  -1.593
  214    HA   TRP  28           HA       TRP  28  10.718  -0.682  -3.042
  215   1HB   TRP  28          2HB       TRP  28  12.887  -0.190  -2.422
  216   2HB   TRP  28          1HB       TRP  28  12.230   1.433  -2.612
  217    HD1  TRP  28           HD1      TRP  28  10.643   1.306   0.286
  218    HE1  TRP  28           HE1      TRP  28  12.049   1.686   2.408
  219    HE3  TRP  28           HE3      TRP  28  15.271   0.256  -1.610
  220    HZ2  TRP  28           HZ2      TRP  28  14.763   1.559   3.175
  221    HZ3  TRP  28           HZ3      TRP  28  17.221   0.408  -0.117
  222    HH2  TRP  28           HH2      TRP  28  16.970   1.047   2.226
  223    H    TRP  29           H        TRP  29   9.168   0.479  -0.277
  224    HA   TRP  29           HA       TRP  29   9.441  -2.144   1.008
  225   1HB   TRP  29          2HB       TRP  29  10.147  -1.334   3.016
  226   2HB   TRP  29          1HB       TRP  29  10.813  -0.055   2.004
  227    HD1  TRP  29           HD1      TRP  29   7.651  -0.745   4.134
  228    HE1  TRP  29           HE1      TRP  29   6.806   1.505   5.054
  229    HE3  TRP  29           HE3      TRP  29  10.946   2.379   1.788
  230    HZ2  TRP  29           HZ2      TRP  29   7.451   4.244   4.814
  231    HZ3  TRP  29           HZ3      TRP  29  10.765   4.799   2.185
  232    HH2  TRP  29           HH2      TRP  29   9.053   5.711   3.667
  233    H    ASP  30           H        ASP  30   7.582   0.704   0.327
  234    HA   ASP  30           HA       ASP  30   5.274  -0.352   1.787
  235   1HB   ASP  30          2HB       ASP  30   6.207   2.206   1.570
  236   2HB   ASP  30          1HB       ASP  30   4.963   2.184   0.325
  237    H    HIS  31           H        HIS  31   3.596  -1.274   0.793
  238    HA   HIS  31           HA       HIS  31   3.553  -1.242  -2.146
  239   1HB   HIS  31          2HB       HIS  31   2.980  -3.333  -0.112
  240   2HB   HIS  31          1HB       HIS  31   1.999  -3.339  -1.570
  241    HD1  HIS  31           HD1      HIS  31   5.707  -3.215  -0.712
  242    HD2  HIS  31           HD2      HIS  31   3.118  -4.794  -3.554
  243    HE1  HIS  31           HE1      HIS  31   7.152  -4.581  -2.253
  244    HE2  HIS  31           HE2      HIS  31   5.550  -5.599  -3.910
  245    H    LYS  32           H        LYS  32   1.947  -0.134  -3.060
  246    HA   LYS  32           HA       LYS  32  -0.692  -0.124  -1.840
  247   1HB   LYS  32          2HB       LYS  32   0.055   2.543  -2.774
  248   2HB   LYS  32          1HB       LYS  32  -0.796   2.059  -1.313
  249   1HG   LYS  32          2HG       LYS  32   1.463   1.383  -0.388
  250   2HG   LYS  32          1HG       LYS  32   2.166   2.235  -1.765
  251   1HD   LYS  32          2HD       LYS  32   0.896   4.266  -1.062
  252   2HD   LYS  32          1HD       LYS  32   0.401   3.393   0.388
  253   1HE   LYS  32          2HE       LYS  32   2.405   3.643   1.369
  254   2HE   LYS  32          1HE       LYS  32   3.283   3.336  -0.129
  255   1HZ   LYS  32          1HZ       LYS  32   3.770   5.510   0.076
  256   2HZ   LYS  32          2HZ       LYS  32   2.417   5.855   1.031
  257   3HZ   LYS  32          3HZ       LYS  32   2.257   5.729  -0.648
  258    H    CYS  33           H        CYS  33  -1.449   2.116  -3.581
  259    HA   CYS  33           HA       CYS  33  -1.696   0.599  -6.068
  260   1HB   CYS  33          2HB       CYS  33  -3.329   2.734  -4.739
  261   2HB   CYS  33          1HB       CYS  33  -3.534   2.376  -6.445
  262    H    ILE  34           H        ILE  34  -0.544   1.220  -7.783
  263    HA   ILE  34           HA       ILE  34   0.437   3.997  -7.873
  264    HB   ILE  34           HB       ILE  34   2.093   2.736  -9.583
  265   1HG1  ILE  34          2HG1      ILE  34   0.992   0.542  -8.967
  266   2HG1  ILE  34          1HG1      ILE  34   2.742   0.587  -8.774
  267   1HG2  ILE  34          1HG2      ILE  34   2.614   4.226  -7.635
  268   2HG2  ILE  34          2HG2      ILE  34   3.769   2.922  -7.904
  269   3HG2  ILE  34          3HG2      ILE  34   2.576   2.790  -6.613
  270   1HD1  ILE  34          1HD1      ILE  34   0.677   0.101  -6.818
  271   2HD1  ILE  34          2HD1      ILE  34   1.777   1.382  -6.309
  272   3HD1  ILE  34          3HD1      ILE  34   2.411  -0.208  -6.734
  273    H    GLY  35           HN       GLY  35   1.177   4.454 -10.302
  274   1HA   GLY  35          2HA       GLY  35  -0.501   3.357 -12.344
  275   2HA   GLY  35          1HA       GLY  35  -1.072   4.928 -11.804
  Start of MODEL   17
    1    HN   PCA   1           HN       PCA   1 -13.343  -9.250  -5.288
    2    HA   PCA   1           HA       PCA   1 -14.046  -8.402  -3.035
    3   1HB   PCA   1          1HB       PCA   1 -11.692  -7.330  -1.965
    4   2HB   PCA   1          2HB       PCA   1 -12.295  -8.976  -1.609
    5   1HG   PCA   1          1HG       PCA   1 -10.090  -8.117  -3.467
    6   2HG   PCA   1          2HG       PCA   1 -10.314  -9.677  -2.616
    7    H    GLN   2           H        GLN   2 -13.361  -5.997  -2.086
    8    HA   GLN   2           HA       GLN   2 -14.229  -4.222  -4.097
    9   1HB   GLN   2          2HB       GLN   2 -13.258  -2.547  -2.201
   10   2HB   GLN   2          1HB       GLN   2 -14.835  -3.320  -2.116
   11   1HG   GLN   2          2HG       GLN   2 -12.818  -5.063  -1.055
   12   2HG   GLN   2          1HG       GLN   2 -12.743  -3.485  -0.272
   13   1HE2  GLN   2          1HE2      GLN   2 -13.454  -5.795   1.081
   14   2HE2  GLN   2          2HE2      GLN   2 -15.113  -5.685   1.550
   15    H    CYS   3           H        CYS   3 -13.121  -2.319  -4.892
   16    HA   CYS   3           HA       CYS   3 -10.543  -2.933  -5.929
   17   1HB   CYS   3          2HB       CYS   3 -10.797  -1.070  -7.254
   18   2HB   CYS   3          1HB       CYS   3 -12.482  -1.394  -6.875
   19    H    VAL   4           H        VAL   4  -9.354  -0.390  -5.900
   20    HA   VAL   4           HA       VAL   4  -8.855   0.368  -3.154
   21    HB   VAL   4           HB       VAL   4  -6.533  -0.597  -4.818
   22   1HG1  VAL   4          1HG1      VAL   4  -6.442  -0.227  -1.871
   23   2HG1  VAL   4          2HG1      VAL   4  -6.414   1.206  -2.897
   24   3HG1  VAL   4          3HG1      VAL   4  -5.169  -0.030  -3.077
   25   1HG2  VAL   4          1HG2      VAL   4  -8.273  -2.341  -3.897
   26   2HG2  VAL   4          2HG2      VAL   4  -7.434  -2.040  -2.376
   27   3HG2  VAL   4          3HG2      VAL   4  -6.539  -2.638  -3.773
   28    H    LYS   5           H        LYS   5  -8.552   2.488  -3.095
   29    HA   LYS   5           HA       LYS   5  -8.315   3.958  -5.548
   30   1HB   LYS   5          2HB       LYS   5  -9.374   4.437  -2.979
   31   2HB   LYS   5          1HB       LYS   5  -8.111   5.627  -3.240
   32   1HG   LYS   5          2HG       LYS   5  -9.173   6.427  -5.223
   33   2HG   LYS   5          1HG       LYS   5 -10.344   5.107  -5.185
   34   1HD   LYS   5          2HD       LYS   5 -10.776   6.164  -2.754
   35   2HD   LYS   5          1HD       LYS   5 -10.244   7.610  -3.614
   36   1HE   LYS   5          2HE       LYS   5 -12.798   6.690  -3.577
   37   2HE   LYS   5          1HE       LYS   5 -12.123   7.720  -4.838
   38   1HZ   LYS   5          1HZ       LYS   5 -11.565   5.700  -6.091
   39   2HZ   LYS   5          2HZ       LYS   5 -13.228   5.843  -5.820
   40   3HZ   LYS   5          3HZ       LYS   5 -12.313   4.756  -4.901
   41    H    LYS   6           H        LYS   6  -6.677   5.445  -6.070
   42    HA   LYS   6           HA       LYS   6  -4.060   4.625  -5.619
   43   1HB   LYS   6          2HB       LYS   6  -4.907   6.123  -7.474
   44   2HB   LYS   6          1HB       LYS   6  -4.879   7.446  -6.315
   45   1HG   LYS   6          2HG       LYS   6  -2.375   5.943  -6.463
   46   2HG   LYS   6          1HG       LYS   6  -2.827   6.752  -7.965
   47   1HD   LYS   6          2HD       LYS   6  -3.288   8.524  -5.770
   48   2HD   LYS   6          1HD       LYS   6  -1.648   7.880  -5.658
   49   1HE   LYS   6          2HE       LYS   6  -1.402   8.479  -8.110
   50   2HE   LYS   6          1HE       LYS   6  -2.908   9.380  -7.942
   51   1HZ   LYS   6          1HZ       LYS   6  -0.506  10.438  -7.527
   52   2HZ   LYS   6          2HZ       LYS   6  -0.868   9.938  -5.952
   53   3HZ   LYS   6          3HZ       LYS   6  -1.909  10.996  -6.762
   54    H    ASP   7           H        ASP   7  -2.433   5.274  -4.258
   55    HA   ASP   7           HA       ASP   7  -1.413   6.516  -2.568
   56   1HB   ASP   7          2HB       ASP   7  -2.904   8.424  -2.923
   57   2HB   ASP   7          1HB       ASP   7  -4.194   7.597  -2.054
   58    H    GLU   8           H        GLU   8  -4.054   4.403  -2.428
   59    HA   GLU   8           HA       GLU   8  -3.788   3.867   0.420
   60   1HB   GLU   8          2HB       GLU   8  -5.543   2.609  -1.698
   61   2HB   GLU   8          1HB       GLU   8  -5.576   2.183   0.007
   62   1HG   GLU   8          2HG       GLU   8  -6.215   4.495   0.549
   63   2HG   GLU   8          1HG       GLU   8  -6.245   4.869  -1.173
   64    H    LEU   9           H        LEU   9  -3.006   1.938   1.281
   65    HA   LEU   9           HA       LEU   9  -0.825   0.779   0.000
   66   1HB   LEU   9          2HB       LEU   9  -2.490  -0.088   2.345
   67   2HB   LEU   9          1HB       LEU   9  -1.065  -0.967   1.829
   68    HG   LEU   9           HG       LEU   9  -1.064   1.000   3.694
   69   1HD1  LEU   9          1HD1      LEU   9   1.470   1.188   2.790
   70   2HD1  LEU   9          2HD1      LEU   9   0.948  -0.293   1.985
   71   3HD1  LEU   9          3HD1      LEU   9   0.859  -0.166   3.742
   72   1HD2  LEU   9          1HD2      LEU   9  -1.206   3.000   2.725
   73   2HD2  LEU   9          2HD2      LEU   9  -1.050   2.309   1.109
   74   3HD2  LEU   9          3HD2      LEU   9   0.394   2.684   2.050
   75    H    CYS  10           H        CYS  10  -0.791  -1.838   0.116
   76    HA   CYS  10           HA       CYS  10  -2.852  -3.438  -0.660
   77   1HB   CYS  10          2HB       CYS  10  -2.788  -1.543  -2.567
   78   2HB   CYS  10          1HB       CYS  10  -1.620  -2.667  -3.250
   79    H    ILE  11           H        ILE  11  -2.053  -5.324  -2.144
   80    HA   ILE  11           HA       ILE  11   0.836  -5.685  -1.868
   81    HB   ILE  11           HB       ILE  11  -0.879  -8.016  -1.209
   82   1HG1  ILE  11          2HG1      ILE  11  -1.623  -5.887   0.105
   83   2HG1  ILE  11          1HG1      ILE  11  -1.355  -7.391   0.978
   84   1HG2  ILE  11          1HG2      ILE  11   1.704  -7.883  -1.429
   85   2HG2  ILE  11          2HG2      ILE  11   0.996  -8.795  -0.097
   86   3HG2  ILE  11          3HG2      ILE  11   1.629  -7.174   0.183
   87   1HD1  ILE  11          1HD1      ILE  11  -0.276  -4.940   1.583
   88   2HD1  ILE  11          2HD1      ILE  11   1.049  -5.781   0.779
   89   3HD1  ILE  11          3HD1      ILE  11   0.277  -6.501   2.191
   90    HA   PRO  12           HA       PRO  12   0.244  -7.094  -6.051
   91   1HB   PRO  12          2HB       PRO  12   2.999  -8.102  -5.789
   92   2HB   PRO  12          1HB       PRO  12   2.349  -6.894  -6.900
   93   1HG   PRO  12          2HG       PRO  12   3.959  -6.214  -4.861
   94   2HG   PRO  12          1HG       PRO  12   2.638  -5.163  -5.401
   95   1HD   PRO  12          2HD       PRO  12   2.755  -6.998  -3.038
   96   2HD   PRO  12          1HD       PRO  12   2.065  -5.366  -3.165
   97    H    TYR  13           H        TYR  13  -0.255  -8.822  -3.585
   98    HA   TYR  13           HA       TYR  13  -0.589 -11.284  -4.978
   99   1HB   TYR  13          2HB       TYR  13   1.594 -11.069  -2.910
  100   2HB   TYR  13          1HB       TYR  13   0.807 -12.602  -3.271
  101    HD1  TYR  13           HD1      TYR  13   3.682 -10.929  -3.853
  102    HD2  TYR  13           HD2      TYR  13   0.571 -12.805  -6.066
  103    HE1  TYR  13           HE1      TYR  13   5.232 -11.270  -5.731
  104    HE2  TYR  13           HE2      TYR  13   2.112 -13.152  -7.951
  105    HH   TYR  13           HH       TYR  13   4.132 -12.481  -8.825
  106    H    TYR  14           H        TYR  14  -1.813  -9.160  -3.120
  107    HA   TYR  14           HA       TYR  14  -3.194 -11.091  -1.383
  108   1HB   TYR  14          2HB       TYR  14  -1.752  -8.643  -0.627
  109   2HB   TYR  14          1HB       TYR  14  -3.375  -8.763   0.045
  110    HD1  TYR  14           HD1      TYR  14  -3.897 -11.245   0.997
  111    HD2  TYR  14           HD2      TYR  14  -0.048  -9.461   0.680
  112    HE1  TYR  14           HE1      TYR  14  -3.062 -12.748   2.755
  113    HE2  TYR  14           HE2      TYR  14   0.799 -10.960   2.435
  114    HH   TYR  14           HH       TYR  14   0.290 -12.540   3.913
  115    H    LEU  15           H        LEU  15  -3.327  -7.913  -2.953
  116    HA   LEU  15           HA       LEU  15  -6.160  -8.349  -3.488
  117   1HB   LEU  15          2HB       LEU  15  -5.733  -5.602  -2.707
  118   2HB   LEU  15          1HB       LEU  15  -6.955  -6.739  -2.171
  119    HG   LEU  15           HG       LEU  15  -5.340  -7.668  -0.538
  120   1HD1  LEU  15          1HD1      LEU  15  -3.532  -5.392  -0.653
  121   2HD1  LEU  15          2HD1      LEU  15  -3.441  -6.419  -2.084
  122   3HD1  LEU  15          3HD1      LEU  15  -3.181  -7.111  -0.482
  123   1HD2  LEU  15          1HD2      LEU  15  -6.428  -4.950  -0.520
  124   2HD2  LEU  15          2HD2      LEU  15  -5.132  -5.227   0.644
  125   3HD2  LEU  15          3HD2      LEU  15  -6.573  -6.242   0.672
  126    H    ASP  16           H        ASP  16  -6.780  -5.868  -4.511
  127    HA   ASP  16           HA       ASP  16  -4.760  -5.153  -6.471
  128   1HB   ASP  16          2HB       ASP  16  -6.523  -5.422  -8.321
  129   2HB   ASP  16          1HB       ASP  16  -5.742  -6.885  -7.730
  130    H    CYS  17           H        CYS  17  -5.276  -3.190  -7.627
  131    HA   CYS  17           HA       CYS  17  -6.933  -1.420  -6.034
  132   1HB   CYS  17          2HB       CYS  17  -5.080  -0.846  -8.355
  133   2HB   CYS  17          1HB       CYS  17  -5.888   0.362  -7.372
  134    H    CYS  18           H        CYS  18  -8.354   0.156  -7.139
  135    HA   CYS  18           HA       CYS  18 -10.361  -1.071  -8.588
  136   1HB   CYS  18          2HB       CYS  18  -9.933   1.835  -9.043
  137   2HB   CYS  18          1HB       CYS  18 -11.405   0.961  -8.637
  138    H    GLU  19           H        GLU  19  -8.813   1.676 -10.121
  139    HA   GLU  19           HA       GLU  19  -7.392   0.568 -12.161
  140   1HB   GLU  19          2HB       GLU  19 -10.091  -0.202 -12.428
  141   2HB   GLU  19          1HB       GLU  19  -9.806   1.013 -13.666
  142   1HG   GLU  19          2HG       GLU  19  -7.850  -0.290 -14.434
  143   2HG   GLU  19          1HG       GLU  19  -8.260  -1.536 -13.255
  144    HA   PRO  20           HA       PRO  20  -6.858   0.894 -14.095
  145   1HB   PRO  20          2HB       PRO  20  -5.025   2.185 -15.548
  146   2HB   PRO  20          1HB       PRO  20  -6.731   2.189 -16.013
  147   1HG   PRO  20          2HG       PRO  20  -5.108   4.332 -14.739
  148   2HG   PRO  20          1HG       PRO  20  -6.446   4.468 -15.892
  149   1HD   PRO  20          2HD       PRO  20  -6.595   4.788 -13.095
  150   2HD   PRO  20          1HD       PRO  20  -7.962   4.635 -14.213
  151    H    LEU  21           H        LEU  21  -5.998   2.656 -11.560
  152    HA   LEU  21           HA       LEU  21  -3.287   2.736 -11.263
  153   1HB   LEU  21          2HB       LEU  21  -5.215   1.798  -9.141
  154   2HB   LEU  21          1HB       LEU  21  -3.634   2.508  -8.875
  155    HG   LEU  21           HG       LEU  21  -5.882   3.992 -10.224
  156   1HD1  LEU  21          1HD1      LEU  21  -6.630   4.825  -8.229
  157   2HD1  LEU  21          2HD1      LEU  21  -5.110   4.500  -7.395
  158   3HD1  LEU  21          3HD1      LEU  21  -6.218   3.176  -7.757
  159   1HD2  LEU  21          1HD2      LEU  21  -4.222   5.782  -8.973
  160   2HD2  LEU  21          2HD2      LEU  21  -4.186   5.372 -10.687
  161   3HD2  LEU  21          3HD2      LEU  21  -3.099   4.557  -9.563
  162    H    GLU  22           H        GLU  22  -1.974   1.248  -9.756
  163    HA   GLU  22           HA       GLU  22  -2.447  -1.565 -10.486
  164   1HB   GLU  22          2HB       GLU  22  -0.594  -0.267 -11.776
  165   2HB   GLU  22          1HB       GLU  22   0.326  -0.439 -10.287
  166   1HG   GLU  22          2HG       GLU  22   0.924  -2.478 -10.884
  167   2HG   GLU  22          1HG       GLU  22  -0.767  -2.972 -10.928
  168    H    CYS  23           H        CYS  23  -3.020  -2.460  -8.597
  169    HA   CYS  23           HA       CYS  23  -2.074  -1.616  -6.064
  170   1HB   CYS  23          2HB       CYS  23  -4.124  -2.673  -5.926
  171   2HB   CYS  23          1HB       CYS  23  -3.679  -3.921  -7.082
  172    H    LYS  24           H        LYS  24   0.229  -1.626  -6.333
  173    HA   LYS  24           HA       LYS  24   1.388  -4.202  -5.658
  174   1HB   LYS  24          2HB       LYS  24   2.539  -4.562  -7.544
  175   2HB   LYS  24          1HB       LYS  24   1.462  -3.389  -8.289
  176   1HG   LYS  24          2HG       LYS  24   4.179  -2.845  -7.113
  177   2HG   LYS  24          1HG       LYS  24   3.741  -2.850  -8.822
  178   1HD   LYS  24          2HD       LYS  24   2.061  -1.018  -8.206
  179   2HD   LYS  24          1HD       LYS  24   2.955  -0.886  -6.690
  180   1HE   LYS  24          2HE       LYS  24   3.654   0.037  -9.368
  181   2HE   LYS  24          1HE       LYS  24   4.248   0.570  -7.796
  182   1HZ   LYS  24          1HZ       LYS  24   5.137  -2.009  -8.900
  183   2HZ   LYS  24          2HZ       LYS  24   5.921  -0.990  -7.801
  184   3HZ   LYS  24          3HZ       LYS  24   5.854  -0.573  -9.438
  185    H    LYS  25           H        LYS  25   4.044  -3.573  -5.807
  186    HA   LYS  25           HA       LYS  25   4.418  -1.988  -3.491
  187   1HB   LYS  25          2HB       LYS  25   5.880  -3.895  -4.301
  188   2HB   LYS  25          1HB       LYS  25   6.556  -2.768  -5.468
  189   1HG   LYS  25          2HG       LYS  25   7.486  -1.415  -3.767
  190   2HG   LYS  25          1HG       LYS  25   6.568  -2.248  -2.510
  191   1HD   LYS  25          2HD       LYS  25   9.093  -2.815  -2.897
  192   2HD   LYS  25          1HD       LYS  25   7.935  -4.100  -2.550
  193   1HE   LYS  25          2HE       LYS  25   7.705  -4.450  -5.011
  194   2HE   LYS  25          1HE       LYS  25   9.013  -3.292  -5.247
  195   1HZ   LYS  25          1HZ       LYS  25   9.229  -6.013  -4.753
  196   2HZ   LYS  25          2HZ       LYS  25   9.793  -5.238  -3.359
  197   3HZ   LYS  25          3HZ       LYS  25  10.484  -4.882  -4.862
  198    H    VAL  26           H        VAL  26   4.806   0.094  -3.225
  199    HA   VAL  26           HA       VAL  26   4.849   1.830  -5.561
  200    HB   VAL  26           HB       VAL  26   5.111   3.054  -2.896
  201   1HG1  VAL  26          1HG1      VAL  26   4.534   4.075  -5.222
  202   2HG1  VAL  26          2HG1      VAL  26   3.723   4.672  -3.773
  203   3HG1  VAL  26          3HG1      VAL  26   2.898   3.537  -4.841
  204   1HG2  VAL  26          1HG2      VAL  26   3.090   2.439  -1.966
  205   2HG2  VAL  26          2HG2      VAL  26   3.644   0.915  -2.658
  206   3HG2  VAL  26          3HG2      VAL  26   2.432   1.878  -3.502
  207    H    ASN  27           H        ASN  27   6.945   0.535  -3.171
  208    HA   ASN  27           HA       ASN  27   9.217   1.913  -4.361
  209   1HB   ASN  27          2HB       ASN  27   9.423   1.759  -1.465
  210   2HB   ASN  27          1HB       ASN  27   9.833   3.077  -2.549
  211   1HD2  ASN  27          1HD2      ASN  27   6.943   1.393  -1.360
  212   2HD2  ASN  27          2HD2      ASN  27   6.010   2.824  -1.102
  213    H    TRP  28           H        TRP  28   9.730   0.494  -1.323
  214    HA   TRP  28           HA       TRP  28  10.435  -2.095  -2.495
  215   1HB   TRP  28          2HB       TRP  28  12.626  -2.017  -1.865
  216   2HB   TRP  28          1HB       TRP  28  12.373  -0.283  -2.043
  217    HD1  TRP  28           HD1      TRP  28  10.899   0.352   0.656
  218    HE1  TRP  28           HE1      TRP  28  12.166   0.198   2.893
  219    HE3  TRP  28           HE3      TRP  28  14.703  -2.747  -0.779
  220    HZ2  TRP  28           HZ2      TRP  28  14.473  -1.071   3.912
  221    HZ3  TRP  28           HZ3      TRP  28  16.398  -3.384   0.887
  222    HH2  TRP  28           HH2      TRP  28  16.284  -2.562   3.183
  223    H    TRP  29           H        TRP  29   9.094  -0.256   0.002
  224    HA   TRP  29           HA       TRP  29   8.627  -2.686   1.585
  225   1HB   TRP  29          2HB       TRP  29   9.302  -1.756   3.567
  226   2HB   TRP  29          1HB       TRP  29  10.391  -0.899   2.480
  227    HD1  TRP  29           HD1      TRP  29   7.535  -0.342   4.883
  228    HE1  TRP  29           HE1      TRP  29   7.075   2.181   5.097
  229    HE3  TRP  29           HE3      TRP  29  10.478   1.350   1.059
  230    HZ2  TRP  29           HZ2      TRP  29   7.856   4.572   3.815
  231    HZ3  TRP  29           HZ3      TRP  29  10.565   3.768   0.618
  232    HH2  TRP  29           HH2      TRP  29   9.281   5.344   1.969
  233    H    ASP  30           H        ASP  30   7.605   0.537   0.639
  234    HA   ASP  30           HA       ASP  30   5.006   0.205   1.904
  235   1HB   ASP  30          2HB       ASP  30   5.873   2.403   2.110
  236   2HB   ASP  30          1HB       ASP  30   6.308   2.473   0.405
  237    H    HIS  31           H        HIS  31   3.657  -1.120   0.850
  238    HA   HIS  31           HA       HIS  31   3.545  -1.026  -2.073
  239   1HB   HIS  31          2HB       HIS  31   2.718  -3.012   0.008
  240   2HB   HIS  31          1HB       HIS  31   1.915  -3.029  -1.556
  241    HD1  HIS  31           HD1      HIS  31   5.474  -3.123  -0.216
  242    HD2  HIS  31           HD2      HIS  31   3.204  -4.548  -3.394
  243    HE1  HIS  31           HE1      HIS  31   7.020  -4.603  -1.537
  244    HE2  HIS  31           HE2      HIS  31   5.651  -5.384  -3.503
  245    H    LYS  32           H        LYS  32   1.937   0.025  -3.081
  246    HA   LYS  32           HA       LYS  32  -0.643   0.339  -1.771
  247   1HB   LYS  32          2HB       LYS  32   1.265   2.539  -2.360
  248   2HB   LYS  32          1HB       LYS  32  -0.437   2.836  -2.686
  249   1HG   LYS  32          2HG       LYS  32  -1.024   2.481  -0.420
  250   2HG   LYS  32          1HG       LYS  32   0.575   1.836  -0.039
  251   1HD   LYS  32          2HD       LYS  32  -0.193   4.670  -0.680
  252   2HD   LYS  32          1HD       LYS  32   0.558   4.043   0.789
  253   1HE   LYS  32          2HE       LYS  32   2.590   4.342  -0.060
  254   2HE   LYS  32          1HE       LYS  32   2.176   3.396  -1.489
  255   1HZ   LYS  32          1HZ       LYS  32   1.207   5.394  -2.468
  256   2HZ   LYS  32          2HZ       LYS  32   2.841   5.622  -2.102
  257   3HZ   LYS  32          3HZ       LYS  32   1.650   6.294  -1.106
  258    H    CYS  33           H        CYS  33  -1.406   2.392  -3.655
  259    HA   CYS  33           HA       CYS  33  -1.832   0.704  -6.005
  260   1HB   CYS  33          2HB       CYS  33  -3.312   2.986  -4.749
  261   2HB   CYS  33          1HB       CYS  33  -3.588   2.581  -6.435
  262    H    ILE  34           H        ILE  34  -1.227   1.349  -8.038
  263    HA   ILE  34           HA       ILE  34   0.005   4.001  -8.315
  264    HB   ILE  34           HB       ILE  34   1.513   2.457 -10.000
  265   1HG1  ILE  34          2HG1      ILE  34   0.532   0.417  -8.943
  266   2HG1  ILE  34          1HG1      ILE  34   2.282   0.522  -8.783
  267   1HG2  ILE  34          1HG2      ILE  34   3.157   2.608  -7.903
  268   2HG2  ILE  34          2HG2      ILE  34   1.895   3.705  -7.344
  269   3HG2  ILE  34          3HG2      ILE  34   2.718   4.015  -8.872
  270   1HD1  ILE  34          1HD1      ILE  34   1.125  -0.250  -6.740
  271   2HD1  ILE  34          2HD1      ILE  34   0.332   1.321  -6.638
  272   3HD1  ILE  34          3HD1      ILE  34   2.086   1.208  -6.498
  273    H    GLY  35           HN       GLY  35   0.864   2.681 -11.037
  274   1HA   GLY  35          2HA       GLY  35  -1.094   1.969 -12.706
  275   2HA   GLY  35          1HA       GLY  35  -1.470   3.669 -12.464
  Start of MODEL   18
    1    HN   PCA   1           HN       PCA   1 -13.177  -7.906  -1.018
    2    HA   PCA   1           HA       PCA   1 -11.047  -7.975  -2.277
    3   1HB   PCA   1          1HB       PCA   1 -11.772  -8.865  -4.838
    4   2HB   PCA   1          2HB       PCA   1 -11.158  -9.928  -3.536
    5   1HG   PCA   1          1HG       PCA   1 -13.977  -9.536  -4.499
    6   2HG   PCA   1          2HG       PCA   1 -13.247 -10.946  -3.673
    7    H    GLN   2           H        GLN   2 -12.655  -5.820  -1.785
    8    HA   GLN   2           HA       GLN   2 -13.626  -4.470  -4.060
    9   1HB   GLN   2          2HB       GLN   2 -12.564  -2.995  -1.678
   10   2HB   GLN   2          1HB       GLN   2 -13.982  -2.647  -2.658
   11   1HG   GLN   2          2HG       GLN   2 -15.226  -4.378  -1.644
   12   2HG   GLN   2          1HG       GLN   2 -13.790  -5.057  -0.879
   13   1HE2  GLN   2          1HE2      GLN   2 -16.299  -4.186   0.315
   14   2HE2  GLN   2          2HE2      GLN   2 -15.884  -2.978   1.479
   15    H    CYS   3           H        CYS   3 -12.744  -2.615  -5.131
   16    HA   CYS   3           HA       CYS   3 -10.179  -2.943  -6.127
   17   1HB   CYS   3          2HB       CYS   3 -10.530  -1.015  -7.342
   18   2HB   CYS   3          1HB       CYS   3 -12.190  -1.417  -6.925
   19    H    VAL   4           H        VAL   4  -9.036  -0.390  -6.029
   20    HA   VAL   4           HA       VAL   4  -8.471   0.320  -3.297
   21    HB   VAL   4           HB       VAL   4  -6.154  -0.660  -4.952
   22   1HG1  VAL   4          1HG1      VAL   4  -4.918  -0.514  -2.887
   23   2HG1  VAL   4          2HG1      VAL   4  -6.381  -0.081  -2.002
   24   3HG1  VAL   4          3HG1      VAL   4  -5.713   1.029  -3.198
   25   1HG2  VAL   4          1HG2      VAL   4  -6.374  -2.764  -4.209
   26   2HG2  VAL   4          2HG2      VAL   4  -8.060  -2.322  -3.941
   27   3HG2  VAL   4          3HG2      VAL   4  -6.906  -2.245  -2.609
   28    H    LYS   5           H        LYS   5  -8.132   2.429  -3.241
   29    HA   LYS   5           HA       LYS   5  -7.879   3.898  -5.693
   30   1HB   LYS   5          2HB       LYS   5  -8.957   4.398  -3.156
   31   2HB   LYS   5          1HB       LYS   5  -7.629   5.531  -3.345
   32   1HG   LYS   5          2HG       LYS   5  -9.361   5.322  -5.689
   33   2HG   LYS   5          1HG       LYS   5 -10.162   5.931  -4.239
   34   1HD   LYS   5          2HD       LYS   5  -7.581   7.024  -5.354
   35   2HD   LYS   5          1HD       LYS   5  -9.175   7.716  -5.663
   36   1HE   LYS   5          2HE       LYS   5  -8.863   7.343  -2.854
   37   2HE   LYS   5          1HE       LYS   5  -7.445   8.189  -3.471
   38   1HZ   LYS   5          1HZ       LYS   5  -8.842   9.865  -4.416
   39   2HZ   LYS   5          2HZ       LYS   5  -9.274   9.679  -2.792
   40   3HZ   LYS   5          3HZ       LYS   5 -10.246   9.015  -4.006
   41    H    LYS   6           H        LYS   6  -6.279   5.552  -6.067
   42    HA   LYS   6           HA       LYS   6  -3.643   4.650  -5.745
   43   1HB   LYS   6          2HB       LYS   6  -4.057   6.051  -7.593
   44   2HB   LYS   6          1HB       LYS   6  -4.829   7.279  -6.598
   45   1HG   LYS   6          2HG       LYS   6  -2.876   8.250  -6.046
   46   2HG   LYS   6          1HG       LYS   6  -2.012   6.714  -5.963
   47   1HD   LYS   6          2HD       LYS   6  -1.746   6.636  -8.321
   48   2HD   LYS   6          1HD       LYS   6  -2.884   7.964  -8.559
   49   1HE   LYS   6          2HE       LYS   6  -0.713   8.871  -8.848
   50   2HE   LYS   6          1HE       LYS   6  -1.282   9.419  -7.273
   51   1HZ   LYS   6          1HZ       LYS   6   0.276   8.227  -6.198
   52   2HZ   LYS   6          2HZ       LYS   6   1.103   8.322  -7.671
   53   3HZ   LYS   6          3HZ       LYS   6   0.219   6.933  -7.287
   54    H    ASP   7           H        ASP   7  -2.008   5.197  -4.361
   55    HA   ASP   7           HA       ASP   7  -0.929   6.283  -2.627
   56   1HB   ASP   7          2HB       ASP   7  -2.659   8.198  -3.183
   57   2HB   ASP   7          1HB       ASP   7  -3.436   7.626  -1.709
   58    H    GLU   8           H        GLU   8  -3.711   4.396  -2.541
   59    HA   GLU   8           HA       GLU   8  -3.634   3.941   0.332
   60   1HB   GLU   8          2HB       GLU   8  -5.432   3.089  -1.903
   61   2HB   GLU   8          1HB       GLU   8  -5.413   2.147  -0.417
   62   1HG   GLU   8          2HG       GLU   8  -5.611   4.849   0.342
   63   2HG   GLU   8          1HG       GLU   8  -6.748   4.603  -0.982
   64    H    LEU   9           H        LEU   9  -3.000   2.022   1.296
   65    HA   LEU   9           HA       LEU   9  -0.874   0.646   0.098
   66   1HB   LEU   9          2HB       LEU   9  -2.543   0.147   2.540
   67   2HB   LEU   9          1HB       LEU   9  -1.269  -0.959   2.066
   68    HG   LEU   9           HG       LEU   9  -0.991   1.247   3.698
   69   1HD1  LEU   9          1HD1      LEU   9   0.605  -0.335   4.008
   70   2HD1  LEU   9          2HD1      LEU   9   1.542   0.803   3.042
   71   3HD1  LEU   9          3HD1      LEU   9   0.823  -0.615   2.280
   72   1HD2  LEU   9          1HD2      LEU   9   0.655   2.017   1.373
   73   2HD2  LEU   9          2HD2      LEU   9  -0.090   3.016   2.620
   74   3HD2  LEU   9          3HD2      LEU   9  -1.061   2.409   1.280
   75    H    CYS  10           H        CYS  10  -0.890  -1.888   0.205
   76    HA   CYS  10           HA       CYS  10  -3.211  -3.315  -0.474
   77   1HB   CYS  10          2HB       CYS  10  -2.636  -1.725  -2.543
   78   2HB   CYS  10          1HB       CYS  10  -1.531  -3.042  -2.918
   79    H    ILE  11           H        ILE  11  -2.440  -5.422  -1.797
   80    HA   ILE  11           HA       ILE  11   0.257  -6.176  -1.011
   81    HB   ILE  11           HB       ILE  11  -1.915  -8.073  -0.276
   82   1HG1  ILE  11          2HG1      ILE  11  -1.086  -5.647   1.314
   83   2HG1  ILE  11          1HG1      ILE  11  -2.713  -6.120   0.833
   84   1HG2  ILE  11          1HG2      ILE  11   0.920  -7.545   0.496
   85   2HG2  ILE  11          2HG2      ILE  11   0.161  -9.049  -0.023
   86   3HG2  ILE  11          3HG2      ILE  11  -0.138  -8.426   1.599
   87   1HD1  ILE  11          1HD1      ILE  11  -2.104  -6.477   3.250
   88   2HD1  ILE  11          2HD1      ILE  11  -1.033  -7.764   2.698
   89   3HD1  ILE  11          3HD1      ILE  11  -2.769  -7.873   2.402
   90    HA   PRO  12           HA       PRO  12  -0.143  -7.748  -5.210
   91   1HB   PRO  12          2HB       PRO  12   2.374  -9.063  -4.289
   92   2HB   PRO  12          1HB       PRO  12   2.047  -8.187  -5.788
   93   1HG   PRO  12          2HG       PRO  12   3.441  -7.049  -3.826
   94   2HG   PRO  12          1HG       PRO  12   2.279  -6.111  -4.782
   95   1HD   PRO  12          2HD       PRO  12   2.049  -7.145  -1.999
   96   2HD   PRO  12          1HD       PRO  12   1.384  -5.663  -2.713
   97    H    TYR  13           H        TYR  13  -0.302  -9.856  -6.196
   98    HA   TYR  13           HA       TYR  13  -1.132 -11.975  -6.297
   99   1HB   TYR  13          2HB       TYR  13   0.186 -12.660  -3.704
  100   2HB   TYR  13          1HB       TYR  13   0.088 -13.598  -5.190
  101    HD1  TYR  13           HD1      TYR  13   1.197 -11.958  -7.238
  102    HD2  TYR  13           HD2      TYR  13   2.383 -12.253  -3.163
  103    HE1  TYR  13           HE1      TYR  13   3.462 -11.220  -7.850
  104    HE2  TYR  13           HE2      TYR  13   4.650 -11.516  -3.762
  105    HH   TYR  13           HH       TYR  13   6.103 -11.551  -5.864
  106    H    TYR  14           H        TYR  14  -2.005  -9.878  -3.930
  107    HA   TYR  14           HA       TYR  14  -4.022 -11.725  -2.837
  108   1HB   TYR  14          2HB       TYR  14  -2.362  -9.636  -1.583
  109   2HB   TYR  14          1HB       TYR  14  -4.052  -9.643  -1.090
  110    HD1  TYR  14           HD1      TYR  14  -4.290 -12.746  -1.503
  111    HD2  TYR  14           HD2      TYR  14  -1.580 -10.255   0.630
  112    HE1  TYR  14           HE1      TYR  14  -3.825 -14.594   0.052
  113    HE2  TYR  14           HE2      TYR  14  -1.107 -12.094   2.189
  114    HH   TYR  14           HH       TYR  14  -1.468 -14.230   2.684
  115    H    LEU  15           H        LEU  15  -4.034  -8.237  -2.492
  116    HA   LEU  15           HA       LEU  15  -6.634  -8.172  -3.829
  117   1HB   LEU  15          2HB       LEU  15  -5.751  -5.666  -2.661
  118   2HB   LEU  15          1HB       LEU  15  -7.217  -6.584  -2.370
  119    HG   LEU  15           HG       LEU  15  -5.837  -8.075  -0.855
  120   1HD1  LEU  15          1HD1      LEU  15  -3.904  -5.851  -0.561
  121   2HD1  LEU  15          2HD1      LEU  15  -3.689  -6.938  -1.934
  122   3HD1  LEU  15          3HD1      LEU  15  -3.695  -7.582  -0.292
  123   1HD2  LEU  15          1HD2      LEU  15  -6.771  -6.888   0.770
  124   2HD2  LEU  15          2HD2      LEU  15  -7.105  -5.618  -0.408
  125   3HD2  LEU  15          3HD2      LEU  15  -5.616  -5.576   0.537
  126    H    ASP  16           H        ASP  16  -7.128  -6.169  -5.107
  127    HA   ASP  16           HA       ASP  16  -4.797  -5.242  -6.641
  128   1HB   ASP  16          2HB       ASP  16  -6.990  -6.862  -7.590
  129   2HB   ASP  16          1HB       ASP  16  -6.973  -5.313  -8.427
  130    H    CYS  17           H        CYS  17  -5.282  -3.244  -7.915
  131    HA   CYS  17           HA       CYS  17  -6.821  -1.432  -6.256
  132   1HB   CYS  17          2HB       CYS  17  -5.018  -0.888  -8.621
  133   2HB   CYS  17          1HB       CYS  17  -5.741   0.327  -7.583
  134    H    CYS  18           H        CYS  18  -8.216   0.203  -7.272
  135    HA   CYS  18           HA       CYS  18 -10.296  -0.932  -8.707
  136   1HB   CYS  18          2HB       CYS  18  -9.844   1.986  -9.035
  137   2HB   CYS  18          1HB       CYS  18 -11.311   1.108  -8.612
  138    H    GLU  19           H        GLU  19  -8.634   1.832 -10.114
  139    HA   GLU  19           HA       GLU  19  -7.352   0.775 -12.266
  140   1HB   GLU  19          2HB       GLU  19  -9.328  -0.397 -12.960
  141   2HB   GLU  19          1HB       GLU  19 -10.306   1.058 -12.824
  142   1HG   GLU  19          2HG       GLU  19  -9.688   1.822 -14.839
  143   2HG   GLU  19          1HG       GLU  19  -8.026   1.261 -14.660
  144    HA   PRO  20           HA       PRO  20  -6.744   1.215 -14.155
  145   1HB   PRO  20          2HB       PRO  20  -4.757   2.485 -15.397
  146   2HB   PRO  20          1HB       PRO  20  -6.431   2.677 -15.934
  147   1HG   PRO  20          2HG       PRO  20  -4.735   4.525 -14.309
  148   2HG   PRO  20          1HG       PRO  20  -5.906   4.905 -15.584
  149   1HD   PRO  20          2HD       PRO  20  -6.397   5.040 -12.846
  150   2HD   PRO  20          1HD       PRO  20  -7.639   4.963 -14.109
  151    H    LEU  21           H        LEU  21  -5.846   2.811 -11.473
  152    HA   LEU  21           HA       LEU  21  -3.161   2.601 -11.067
  153   1HB   LEU  21          2HB       LEU  21  -5.181   1.723  -9.014
  154   2HB   LEU  21          1HB       LEU  21  -3.599   2.421  -8.725
  155    HG   LEU  21           HG       LEU  21  -5.813   3.939 -10.092
  156   1HD1  LEU  21          1HD1      LEU  21  -6.616   3.316  -7.898
  157   2HD1  LEU  21          2HD1      LEU  21  -6.199   5.030  -7.920
  158   3HD1  LEU  21          3HD1      LEU  21  -5.111   3.867  -7.162
  159   1HD2  LEU  21          1HD2      LEU  21  -4.127   5.346 -10.470
  160   2HD2  LEU  21          2HD2      LEU  21  -3.042   4.457  -9.403
  161   3HD2  LEU  21          3HD2      LEU  21  -4.137   5.666  -8.735
  162    H    GLU  22           H        GLU  22  -1.988   0.970  -9.678
  163    HA   GLU  22           HA       GLU  22  -2.765  -1.785 -10.359
  164   1HB   GLU  22          2HB       GLU  22  -0.866  -0.670 -11.779
  165   2HB   GLU  22          1HB       GLU  22   0.118  -0.969 -10.354
  166   1HG   GLU  22          2HG       GLU  22  -0.103  -3.286 -10.543
  167   2HG   GLU  22          1HG       GLU  22  -1.476  -3.153 -11.641
  168    H    CYS  23           H        CYS  23  -3.096  -2.842  -8.521
  169    HA   CYS  23           HA       CYS  23  -2.135  -1.960  -6.004
  170   1HB   CYS  23          2HB       CYS  23  -4.158  -3.141  -5.931
  171   2HB   CYS  23          1HB       CYS  23  -3.544  -4.439  -6.949
  172    H    LYS  24           H        LYS  24   0.139  -1.829  -6.278
  173    HA   LYS  24           HA       LYS  24   1.478  -4.327  -5.662
  174   1HB   LYS  24          2HB       LYS  24   3.295  -3.504  -7.433
  175   2HB   LYS  24          1HB       LYS  24   1.990  -4.598  -7.866
  176   1HG   LYS  24          2HG       LYS  24   1.206  -3.157  -9.351
  177   2HG   LYS  24          1HG       LYS  24   1.106  -1.886  -8.131
  178   1HD   LYS  24          2HD       LYS  24   2.553  -1.294 -10.060
  179   2HD   LYS  24          1HD       LYS  24   3.401  -1.268  -8.513
  180   1HE   LYS  24          2HE       LYS  24   4.666  -3.101  -9.018
  181   2HE   LYS  24          1HE       LYS  24   3.436  -3.794 -10.074
  182   1HZ   LYS  24          1HZ       LYS  24   5.682  -2.285 -10.787
  183   2HZ   LYS  24          2HZ       LYS  24   4.309  -1.391 -11.207
  184   3HZ   LYS  24          3HZ       LYS  24   4.509  -2.960 -11.803
  185    H    LYS  25           H        LYS  25   4.105  -3.390  -5.994
  186    HA   LYS  25           HA       LYS  25   4.429  -1.877  -3.613
  187   1HB   LYS  25          2HB       LYS  25   6.036  -3.567  -4.870
  188   2HB   LYS  25          1HB       LYS  25   6.632  -2.090  -5.614
  189   1HG   LYS  25          2HG       LYS  25   7.500  -1.285  -3.653
  190   2HG   LYS  25          1HG       LYS  25   6.372  -2.201  -2.651
  191   1HD   LYS  25          2HD       LYS  25   7.560  -4.282  -3.340
  192   2HD   LYS  25          1HD       LYS  25   8.750  -3.274  -4.166
  193   1HE   LYS  25          2HE       LYS  25   8.750  -2.111  -1.739
  194   2HE   LYS  25          1HE       LYS  25   8.341  -3.764  -1.283
  195   1HZ   LYS  25          1HZ       LYS  25  10.845  -2.693  -2.105
  196   2HZ   LYS  25          2HZ       LYS  25  10.400  -4.000  -3.084
  197   3HZ   LYS  25          3HZ       LYS  25  10.499  -4.196  -1.407
  198    H    VAL  26           H        VAL  26   4.541   0.236  -3.294
  199    HA   VAL  26           HA       VAL  26   4.242   2.019  -5.571
  200    HB   VAL  26           HB       VAL  26   4.475   3.157  -2.855
  201   1HG1  VAL  26          1HG1      VAL  26   3.546   4.003  -5.291
  202   2HG1  VAL  26          2HG1      VAL  26   3.217   4.778  -3.741
  203   3HG1  VAL  26          3HG1      VAL  26   2.059   3.633  -4.419
  204   1HG2  VAL  26          1HG2      VAL  26   2.403   1.121  -3.570
  205   2HG2  VAL  26          2HG2      VAL  26   2.009   2.450  -2.477
  206   3HG2  VAL  26          3HG2      VAL  26   3.303   1.323  -2.066
  207    H    ASN  27           H        ASN  27   6.627   0.939  -3.359
  208    HA   ASN  27           HA       ASN  27   8.631   2.605  -4.636
  209   1HB   ASN  27          2HB       ASN  27   9.157   2.594  -1.825
  210   2HB   ASN  27          1HB       ASN  27   8.991   3.966  -2.911
  211   1HD2  ASN  27          1HD2      ASN  27   6.622   1.529  -1.960
  212   2HD2  ASN  27          2HD2      ASN  27   5.501   2.639  -1.253
  213    H    TRP  28           H        TRP  28   9.582   1.432  -1.644
  214    HA   TRP  28           HA       TRP  28  10.417  -1.171  -2.680
  215   1HB   TRP  28          2HB       TRP  28  12.656  -0.803  -2.494
  216   2HB   TRP  28          1HB       TRP  28  12.180   0.872  -2.758
  217    HD1  TRP  28           HD1      TRP  28  11.217   1.756   0.048
  218    HE1  TRP  28           HE1      TRP  28  12.845   1.902   2.034
  219    HE3  TRP  28           HE3      TRP  28  14.854  -1.403  -1.654
  220    HZ2  TRP  28           HZ2      TRP  28  15.340   0.818   2.782
  221    HZ3  TRP  28           HZ3      TRP  28  16.830  -1.796  -0.241
  222    HH2  TRP  28           HH2      TRP  28  17.067  -0.707   1.931
  223    H    TRP  29           H        TRP  29   8.975   0.588  -0.321
  224    HA   TRP  29           HA       TRP  29   9.305  -1.571   1.621
  225   1HB   TRP  29          2HB       TRP  29   9.996  -0.236   3.373
  226   2HB   TRP  29          1HB       TRP  29  10.831   0.529   2.025
  227    HD1  TRP  29           HD1      TRP  29   8.326   1.218   4.724
  228    HE1  TRP  29           HE1      TRP  29   7.517   3.656   4.564
  229    HE3  TRP  29           HE3      TRP  29  10.301   2.432   0.168
  230    HZ2  TRP  29           HZ2      TRP  29   7.695   5.809   2.747
  231    HZ3  TRP  29           HZ3      TRP  29   9.936   4.701  -0.709
  232    HH2  TRP  29           HH2      TRP  29   8.659   6.354   0.554
  233    H    ASP  30           H        ASP  30   7.397   0.824   0.106
  234    HA   ASP  30           HA       ASP  30   5.138   0.171   1.885
  235   1HB   ASP  30          2HB       ASP  30   5.798   2.546   2.007
  236   2HB   ASP  30          1HB       ASP  30   5.545   2.697   0.271
  237    H    HIS  31           H        HIS  31   3.723  -1.140   0.962
  238    HA   HIS  31           HA       HIS  31   3.511  -1.234  -1.949
  239   1HB   HIS  31          2HB       HIS  31   2.764  -3.078   0.289
  240   2HB   HIS  31          1HB       HIS  31   1.946  -3.228  -1.258
  241    HD1  HIS  31           HD1      HIS  31   5.583  -2.951  -0.143
  242    HD2  HIS  31           HD2      HIS  31   3.182  -5.055  -2.804
  243    HE1  HIS  31           HE1      HIS  31   7.126  -4.548  -1.322
  244    HE2  HIS  31           HE2      HIS  31   5.657  -5.793  -2.949
  245    H    LYS  32           H        LYS  32   1.936  -0.142  -2.942
  246    HA   LYS  32           HA       LYS  32  -0.688   0.058  -1.707
  247   1HB   LYS  32          2HB       LYS  32   0.682   2.544  -2.723
  248   2HB   LYS  32          1HB       LYS  32  -0.843   2.428  -1.853
  249   1HG   LYS  32          2HG       LYS  32   0.381   1.655   0.138
  250   2HG   LYS  32          1HG       LYS  32   1.898   1.861  -0.741
  251   1HD   LYS  32          2HD       LYS  32   0.056   4.181  -0.670
  252   2HD   LYS  32          1HD       LYS  32   0.867   3.756   0.839
  253   1HE   LYS  32          2HE       LYS  32   2.985   3.647  -0.725
  254   2HE   LYS  32          1HE       LYS  32   2.017   4.722  -1.734
  255   1HZ   LYS  32          1HZ       LYS  32   2.769   6.350  -0.448
  256   2HZ   LYS  32          2HZ       LYS  32   3.399   5.280   0.702
  257   3HZ   LYS  32          3HZ       LYS  32   1.776   5.751   0.785
  258    H    CYS  33           H        CYS  33  -1.319   2.229  -3.634
  259    HA   CYS  33           HA       CYS  33  -1.653   0.530  -5.998
  260   1HB   CYS  33          2HB       CYS  33  -3.256   2.725  -4.754
  261   2HB   CYS  33          1HB       CYS  33  -3.442   2.380  -6.466
  262    H    ILE  34           H        ILE  34  -0.885   1.142  -7.947
  263    HA   ILE  34           HA       ILE  34   0.368   3.803  -8.139
  264    HB   ILE  34           HB       ILE  34   1.698   2.360 -10.017
  265   1HG1  ILE  34          2HG1      ILE  34   0.578   0.274  -9.217
  266   2HG1  ILE  34          1HG1      ILE  34   2.335   0.219  -9.102
  267   1HG2  ILE  34          1HG2      ILE  34   3.560   2.738  -8.728
  268   2HG2  ILE  34          2HG2      ILE  34   2.740   2.311  -7.226
  269   3HG2  ILE  34          3HG2      ILE  34   2.416   3.864  -7.996
  270   1HD1  ILE  34          1HD1      ILE  34   2.187   0.714  -6.714
  271   2HD1  ILE  34          2HD1      ILE  34   1.302  -0.751  -7.140
  272   3HD1  ILE  34          3HD1      ILE  34   0.429   0.751  -6.837
  273    H    GLY  35           HN       GLY  35   1.059   3.212 -10.954
  274   1HA   GLY  35          2HA       GLY  35  -1.451   2.862 -12.334
  275   2HA   GLY  35          1HA       GLY  35  -0.878   4.524 -12.323
  Start of MODEL   19
    1    HN   PCA   1           HN       PCA   1 -14.756  -8.509  -6.798
    2    HA   PCA   1           HA       PCA   1 -14.679  -8.087  -4.312
    3   1HB   PCA   1          1HB       PCA   1 -11.891  -7.705  -3.902
    4   2HB   PCA   1          2HB       PCA   1 -12.816  -9.170  -3.460
    5   1HG   PCA   1          1HG       PCA   1 -11.034  -8.690  -5.826
    6   2HG   PCA   1          2HG       PCA   1 -11.498 -10.236  -5.049
    7    H    GLN   2           H        GLN   2 -13.590  -6.073  -3.191
    8    HA   GLN   2           HA       GLN   2 -14.207  -3.837  -4.851
    9   1HB   GLN   2          2HB       GLN   2 -12.983  -2.859  -2.540
   10   2HB   GLN   2          1HB       GLN   2 -14.708  -3.042  -2.826
   11   1HG   GLN   2          2HG       GLN   2 -14.712  -5.204  -1.801
   12   2HG   GLN   2          1HG       GLN   2 -12.953  -5.194  -1.671
   13   1HE2  GLN   2          1HE2      GLN   2 -12.665  -2.514  -0.834
   14   2HE2  GLN   2          2HE2      GLN   2 -13.270  -2.391   0.779
   15    H    CYS   3           H        CYS   3 -12.827  -2.041  -5.311
   16    HA   CYS   3           HA       CYS   3 -10.207  -2.854  -6.178
   17   1HB   CYS   3          2HB       CYS   3 -10.185  -0.915  -7.437
   18   2HB   CYS   3          1HB       CYS   3 -11.914  -1.199  -7.314
   19    H    VAL   4           H        VAL   4  -9.094  -0.185  -5.901
   20    HA   VAL   4           HA       VAL   4  -8.802   0.376  -3.098
   21    HB   VAL   4           HB       VAL   4  -6.331  -0.524  -4.570
   22   1HG1  VAL   4          1HG1      VAL   4  -6.851   0.104  -1.667
   23   2HG1  VAL   4          2HG1      VAL   4  -5.943   1.099  -2.807
   24   3HG1  VAL   4          3HG1      VAL   4  -5.326  -0.483  -2.330
   25   1HG2  VAL   4          1HG2      VAL   4  -7.073  -2.208  -2.355
   26   2HG2  VAL   4          2HG2      VAL   4  -6.703  -2.647  -4.023
   27   3HG2  VAL   4          3HG2      VAL   4  -8.344  -2.180  -3.578
   28    H    LYS   5           H        LYS   5  -8.495   2.486  -2.910
   29    HA   LYS   5           HA       LYS   5  -8.175   4.122  -5.208
   30   1HB   LYS   5          2HB       LYS   5  -9.129   4.482  -2.622
   31   2HB   LYS   5          1HB       LYS   5  -7.701   5.500  -2.711
   32   1HG   LYS   5          2HG       LYS   5 -10.210   5.646  -4.328
   33   2HG   LYS   5          1HG       LYS   5  -9.424   6.906  -3.372
   34   1HD   LYS   5          2HD       LYS   5  -7.627   5.964  -5.398
   35   2HD   LYS   5          1HD       LYS   5  -9.167   6.411  -6.133
   36   1HE   LYS   5          2HE       LYS   5  -8.958   8.612  -5.562
   37   2HE   LYS   5          1HE       LYS   5  -8.002   8.260  -4.124
   38   1HZ   LYS   5          1HZ       LYS   5  -6.071   8.140  -5.324
   39   2HZ   LYS   5          2HZ       LYS   5  -6.896   9.330  -6.198
   40   3HZ   LYS   5          3HZ       LYS   5  -6.846   7.740  -6.774
   41    H    LYS   6           H        LYS   6  -6.470   5.411  -5.839
   42    HA   LYS   6           HA       LYS   6  -3.886   4.411  -5.507
   43   1HB   LYS   6          2HB       LYS   6  -4.606   5.799  -7.418
   44   2HB   LYS   6          1HB       LYS   6  -4.705   7.196  -6.356
   45   1HG   LYS   6          2HG       LYS   6  -2.186   5.642  -6.901
   46   2HG   LYS   6          1HG       LYS   6  -2.650   7.132  -7.724
   47   1HD   LYS   6          2HD       LYS   6  -2.796   7.393  -4.840
   48   2HD   LYS   6          1HD       LYS   6  -1.182   6.924  -5.379
   49   1HE   LYS   6          2HE       LYS   6  -0.785   8.929  -6.292
   50   2HE   LYS   6          1HE       LYS   6  -2.390   9.014  -7.017
   51   1HZ   LYS   6          1HZ       LYS   6  -1.825  10.722  -5.253
   52   2HZ   LYS   6          2HZ       LYS   6  -1.963   9.468  -4.126
   53   3HZ   LYS   6          3HZ       LYS   6  -3.295   9.905  -5.072
   54    H    ASP   7           H        ASP   7  -2.240   4.845  -4.145
   55    HA   ASP   7           HA       ASP   7  -1.003   6.143  -2.627
   56   1HB   ASP   7          2HB       ASP   7  -2.681   8.041  -3.050
   57   2HB   ASP   7          1HB       ASP   7  -3.561   7.407  -1.664
   58    H    GLU   8           H        GLU   8  -3.768   4.213  -2.198
   59    HA   GLU   8           HA       GLU   8  -3.316   3.808   0.649
   60   1HB   GLU   8          2HB       GLU   8  -5.420   3.015  -1.301
   61   2HB   GLU   8          1HB       GLU   8  -5.177   1.978   0.099
   62   1HG   GLU   8          2HG       GLU   8  -5.243   4.627   1.049
   63   2HG   GLU   8          1HG       GLU   8  -6.578   4.453  -0.089
   64    H    LEU   9           H        LEU   9  -2.575   1.901   1.569
   65    HA   LEU   9           HA       LEU   9  -0.576   0.516   0.244
   66   1HB   LEU   9          2HB       LEU   9  -2.185  -0.168   2.691
   67   2HB   LEU   9          1HB       LEU   9  -0.803  -1.106   2.163
   68    HG   LEU   9           HG       LEU   9  -0.658   0.894   3.956
   69   1HD1  LEU   9          1HD1      LEU   9   1.269  -0.360   2.099
   70   2HD1  LEU   9          2HD1      LEU   9   1.239  -0.337   3.863
   71   3HD1  LEU   9          3HD1      LEU   9   1.813   1.074   2.972
   72   1HD2  LEU   9          1HD2      LEU   9   0.504   2.780   2.713
   73   2HD2  LEU   9          2HD2      LEU   9  -1.252   2.699   2.576
   74   3HD2  LEU   9          3HD2      LEU   9  -0.238   2.126   1.252
   75    H    CYS  10           H        CYS  10  -0.612  -2.034   0.311
   76    HA   CYS  10           HA       CYS  10  -2.861  -3.534  -0.244
   77   1HB   CYS  10          2HB       CYS  10  -2.679  -1.738  -2.250
   78   2HB   CYS  10          1HB       CYS  10  -1.655  -3.012  -2.902
   79    H    ILE  11           H        ILE  11  -2.187  -5.492  -1.802
   80    HA   ILE  11           HA       ILE  11   0.658  -6.066  -1.468
   81    HB   ILE  11           HB       ILE  11  -1.259  -8.227  -0.747
   82   1HG1  ILE  11          2HG1      ILE  11  -1.762  -6.042   0.555
   83   2HG1  ILE  11          1HG1      ILE  11  -1.539  -7.530   1.469
   84   1HG2  ILE  11          1HG2      ILE  11   0.920  -8.280   0.937
   85   2HG2  ILE  11          2HG2      ILE  11   1.590  -7.678  -0.580
   86   3HG2  ILE  11          3HG2      ILE  11   0.732  -9.218  -0.545
   87   1HD1  ILE  11          1HD1      ILE  11   0.391  -6.821   2.410
   88   2HD1  ILE  11          2HD1      ILE  11  -0.352  -5.248   2.121
   89   3HD1  ILE  11          3HD1      ILE  11   0.861  -5.869   1.002
   90    HA   PRO  12           HA       PRO  12  -0.132  -7.344  -5.688
   91   1HB   PRO  12          2HB       PRO  12   2.690  -8.212  -5.485
   92   2HB   PRO  12          1HB       PRO  12   1.934  -7.106  -6.636
   93   1HG   PRO  12          2HG       PRO  12   3.542  -6.202  -4.702
   94   2HG   PRO  12          1HG       PRO  12   2.104  -5.293  -5.206
   95   1HD   PRO  12          2HD       PRO  12   2.504  -7.026  -2.797
   96   2HD   PRO  12          1HD       PRO  12   1.663  -5.468  -2.936
   97    H    TYR  13           H        TYR  13  -0.474  -9.128  -3.227
   98    HA   TYR  13           HA       TYR  13  -0.533 -11.615  -4.701
   99   1HB   TYR  13          2HB       TYR  13   0.715 -12.038  -2.080
  100   2HB   TYR  13          1HB       TYR  13   1.097 -12.760  -3.639
  101    HD1  TYR  13           HD1      TYR  13   2.759 -11.762  -5.099
  102    HD2  TYR  13           HD2      TYR  13   1.802  -9.986  -1.352
  103    HE1  TYR  13           HE1      TYR  13   4.779 -10.369  -5.250
  104    HE2  TYR  13           HE2      TYR  13   3.819  -8.586  -1.494
  105    HH   TYR  13           HH       TYR  13   5.535  -7.949  -2.767
  106    H    TYR  14           H        TYR  14  -2.367  -9.697  -3.355
  107    HA   TYR  14           HA       TYR  14  -3.945 -11.686  -1.954
  108   1HB   TYR  14          2HB       TYR  14  -2.470  -9.610  -0.564
  109   2HB   TYR  14          1HB       TYR  14  -4.201  -9.467  -0.280
  110    HD1  TYR  14           HD1      TYR  14  -5.430 -11.630   0.447
  111    HD2  TYR  14           HD2      TYR  14  -1.215 -11.111   0.688
  112    HE1  TYR  14           HE1      TYR  14  -5.312 -13.425   2.121
  113    HE2  TYR  14           HE2      TYR  14  -1.083 -12.906   2.362
  114    HH   TYR  14           HH       TYR  14  -2.897 -15.108   2.849
  115    H    LEU  15           H        LEU  15  -4.077  -8.146  -1.927
  116    HA   LEU  15           HA       LEU  15  -6.760  -8.287  -3.081
  117   1HB   LEU  15          2HB       LEU  15  -5.684  -5.685  -2.217
  118   2HB   LEU  15          1HB       LEU  15  -7.256  -6.406  -1.926
  119    HG   LEU  15           HG       LEU  15  -5.352  -7.899  -0.458
  120   1HD1  LEU  15          1HD1      LEU  15  -4.901  -5.713   1.055
  121   2HD1  LEU  15          2HD1      LEU  15  -4.794  -5.017  -0.562
  122   3HD1  LEU  15          3HD1      LEU  15  -3.749  -6.364  -0.111
  123   1HD2  LEU  15          1HD2      LEU  15  -7.506  -5.956   0.352
  124   2HD2  LEU  15          2HD2      LEU  15  -6.675  -7.050   1.458
  125   3HD2  LEU  15          3HD2      LEU  15  -7.666  -7.701   0.153
  126    H    ASP  16           H        ASP  16  -7.127  -5.926  -4.259
  127    HA   ASP  16           HA       ASP  16  -4.985  -5.457  -6.179
  128   1HB   ASP  16          2HB       ASP  16  -7.783  -6.112  -7.113
  129   2HB   ASP  16          1HB       ASP  16  -6.362  -5.831  -8.114
  130    H    CYS  17           H        CYS  17  -5.191  -3.470  -7.323
  131    HA   CYS  17           HA       CYS  17  -6.755  -1.503  -5.871
  132   1HB   CYS  17          2HB       CYS  17  -4.610  -1.257  -7.984
  133   2HB   CYS  17          1HB       CYS  17  -5.448   0.116  -7.284
  134    H    CYS  18           H        CYS  18  -7.818   0.259  -7.185
  135    HA   CYS  18           HA       CYS  18  -9.839  -0.840  -8.782
  136   1HB   CYS  18          2HB       CYS  18  -9.174   2.041  -9.100
  137   2HB   CYS  18          1HB       CYS  18 -10.733   1.260  -8.864
  138    H    GLU  19           H        GLU  19  -8.850   1.871 -10.450
  139    HA   GLU  19           HA       GLU  19  -7.029   0.705 -12.302
  140   1HB   GLU  19          2HB       GLU  19  -9.321  -0.377 -12.808
  141   2HB   GLU  19          1HB       GLU  19  -9.762   1.197 -13.456
  142   1HG   GLU  19          2HG       GLU  19  -7.456   0.841 -14.751
  143   2HG   GLU  19          1HG       GLU  19  -7.913  -0.846 -14.517
  144    HA   PRO  20           HA       PRO  20  -6.289   1.045 -14.163
  145   1HB   PRO  20          2HB       PRO  20  -4.185   2.266 -15.268
  146   2HB   PRO  20          1HB       PRO  20  -5.798   2.403 -15.977
  147   1HG   PRO  20          2HG       PRO  20  -4.289   4.365 -14.308
  148   2HG   PRO  20          1HG       PRO  20  -5.335   4.653 -15.710
  149   1HD   PRO  20          2HD       PRO  20  -6.093   4.947 -13.048
  150   2HD   PRO  20          1HD       PRO  20  -7.205   4.764 -14.417
  151    H    LEU  21           H        LEU  21  -5.699   2.669 -11.444
  152    HA   LEU  21           HA       LEU  21  -3.034   2.486 -10.804
  153   1HB   LEU  21          2HB       LEU  21  -5.335   1.810  -8.970
  154   2HB   LEU  21          1HB       LEU  21  -3.719   2.272  -8.471
  155    HG   LEU  21           HG       LEU  21  -5.388   4.126 -10.140
  156   1HD1  LEU  21          1HD1      LEU  21  -5.966   5.205  -7.902
  157   2HD1  LEU  21          2HD1      LEU  21  -5.552   3.648  -7.183
  158   3HD1  LEU  21          3HD1      LEU  21  -6.861   3.754  -8.360
  159   1HD2  LEU  21          1HD2      LEU  21  -4.007   5.810  -8.934
  160   2HD2  LEU  21          2HD2      LEU  21  -3.073   4.711  -9.949
  161   3HD2  LEU  21          3HD2      LEU  21  -3.109   4.481  -8.201
  162    H    GLU  22           H        GLU  22  -2.112   0.860  -9.146
  163    HA   GLU  22           HA       GLU  22  -2.878  -1.884  -9.852
  164   1HB   GLU  22          2HB       GLU  22  -0.887  -0.926 -11.202
  165   2HB   GLU  22          1HB       GLU  22   0.017  -1.099  -9.704
  166   1HG   GLU  22          2HG       GLU  22   0.461  -3.051 -10.892
  167   2HG   GLU  22          1HG       GLU  22  -0.757  -3.522  -9.707
  168    H    CYS  23           H        CYS  23  -3.089  -3.137  -8.127
  169    HA   CYS  23           HA       CYS  23  -2.394  -2.183  -5.513
  170   1HB   CYS  23          2HB       CYS  23  -4.402  -3.432  -5.642
  171   2HB   CYS  23          1HB       CYS  23  -3.634  -4.724  -6.557
  172    H    LYS  24           H        LYS  24  -0.052  -1.997  -6.020
  173    HA   LYS  24           HA       LYS  24   1.322  -4.392  -5.124
  174   1HB   LYS  24          2HB       LYS  24   3.060  -3.951  -7.025
  175   2HB   LYS  24          1HB       LYS  24   1.622  -4.905  -7.359
  176   1HG   LYS  24          2HG       LYS  24   1.500  -3.537  -9.144
  177   2HG   LYS  24          1HG       LYS  24   0.683  -2.482  -7.989
  178   1HD   LYS  24          2HD       LYS  24   2.358  -1.227  -9.209
  179   2HD   LYS  24          1HD       LYS  24   2.834  -1.375  -7.516
  180   1HE   LYS  24          2HE       LYS  24   4.728  -2.393  -8.079
  181   2HE   LYS  24          1HE       LYS  24   3.855  -3.589  -9.035
  182   1HZ   LYS  24          1HZ       LYS  24   4.099  -2.368 -10.950
  183   2HZ   LYS  24          2HZ       LYS  24   5.563  -2.037 -10.171
  184   3HZ   LYS  24          3HZ       LYS  24   4.312  -0.899 -10.135
  185    H    LYS  25           H        LYS  25   3.924  -3.526  -5.698
  186    HA   LYS  25           HA       LYS  25   4.382  -1.737  -3.553
  187   1HB   LYS  25          2HB       LYS  25   5.931  -3.549  -4.582
  188   2HB   LYS  25          1HB       LYS  25   6.398  -2.283  -5.708
  189   1HG   LYS  25          2HG       LYS  25   6.985  -0.868  -3.721
  190   2HG   LYS  25          1HG       LYS  25   6.739  -2.303  -2.721
  191   1HD   LYS  25          2HD       LYS  25   8.611  -2.269  -5.077
  192   2HD   LYS  25          1HD       LYS  25   9.124  -1.814  -3.451
  193   1HE   LYS  25          2HE       LYS  25   9.010  -3.947  -2.671
  194   2HE   LYS  25          1HE       LYS  25   7.673  -4.380  -3.736
  195   1HZ   LYS  25          1HZ       LYS  25  10.122  -3.820  -5.135
  196   2HZ   LYS  25          2HZ       LYS  25   9.068  -5.133  -5.287
  197   3HZ   LYS  25          3HZ       LYS  25  10.248  -5.131  -4.074
  198    H    VAL  26           H        VAL  26   4.408   0.401  -3.492
  199    HA   VAL  26           HA       VAL  26   4.043   1.908  -5.955
  200    HB   VAL  26           HB       VAL  26   4.287   3.408  -3.443
  201   1HG1  VAL  26          1HG1      VAL  26   1.767   3.761  -4.601
  202   2HG1  VAL  26          2HG1      VAL  26   2.878   3.523  -5.950
  203   3HG1  VAL  26          3HG1      VAL  26   3.179   4.803  -4.776
  204   1HG2  VAL  26          1HG2      VAL  26   3.176   1.909  -2.187
  205   2HG2  VAL  26          2HG2      VAL  26   2.571   1.030  -3.592
  206   3HG2  VAL  26          3HG2      VAL  26   1.761   2.503  -3.057
  207    H    ASN  27           H        ASN  27   6.449   1.149  -3.633
  208    HA   ASN  27           HA       ASN  27   8.386   2.831  -5.047
  209   1HB   ASN  27          2HB       ASN  27   9.067   2.664  -2.269
  210   2HB   ASN  27          1HB       ASN  27   8.840   4.093  -3.262
  211   1HD2  ASN  27          1HD2      ASN  27   6.765   1.544  -1.925
  212   2HD2  ASN  27          2HD2      ASN  27   5.588   2.618  -1.257
  213    H    TRP  28           H        TRP  28   9.449   1.459  -2.161
  214    HA   TRP  28           HA       TRP  28  10.334  -1.013  -3.454
  215   1HB   TRP  28          2HB       TRP  28  12.576  -0.670  -3.074
  216   2HB   TRP  28          1HB       TRP  28  12.068   0.992  -3.363
  217    HD1  TRP  28           HD1      TRP  28  10.773   1.460  -0.432
  218    HE1  TRP  28           HE1      TRP  28  12.361   1.792   1.565
  219    HE3  TRP  28           HE3      TRP  28  14.990  -0.665  -2.387
  220    HZ2  TRP  28           HZ2      TRP  28  15.047   1.229   2.224
  221    HZ3  TRP  28           HZ3      TRP  28  17.027  -0.728  -1.009
  222    HH2  TRP  28           HH2      TRP  28  17.053   0.201   1.249
  223    H    TRP  29           H        TRP  29   9.379   0.750  -0.664
  224    HA   TRP  29           HA       TRP  29   9.437  -1.732   0.920
  225   1HB   TRP  29          2HB       TRP  29  10.273  -0.672   2.767
  226   2HB   TRP  29          1HB       TRP  29  11.013   0.335   1.527
  227    HD1  TRP  29           HD1      TRP  29   7.949   0.357   3.891
  228    HE1  TRP  29           HE1      TRP  29   7.349   2.808   4.399
  229    HE3  TRP  29           HE3      TRP  29  11.309   2.676   0.809
  230    HZ2  TRP  29           HZ2      TRP  29   8.185   5.381   3.598
  231    HZ3  TRP  29           HZ3      TRP  29  11.342   5.134   0.739
  232    HH2  TRP  29           HH2      TRP  29   9.812   6.458   2.105
  233    H    ASP  30           H        ASP  30   7.728   1.140  -0.038
  234    HA   ASP  30           HA       ASP  30   5.462   0.491   1.690
  235   1HB   ASP  30          2HB       ASP  30   6.569   2.900   0.821
  236   2HB   ASP  30          1HB       ASP  30   5.070   2.747  -0.091
  237    H    HIS  31           H        HIS  31   3.960  -0.850   0.939
  238    HA   HIS  31           HA       HIS  31   3.587  -1.104  -1.954
  239   1HB   HIS  31          2HB       HIS  31   3.090  -2.882   0.391
  240   2HB   HIS  31          1HB       HIS  31   2.090  -3.087  -1.042
  241    HD1  HIS  31           HD1      HIS  31   5.774  -3.020  -0.119
  242    HD2  HIS  31           HD2      HIS  31   3.210  -4.669  -2.944
  243    HE1  HIS  31           HE1      HIS  31   7.197  -4.570  -1.495
  244    HE2  HIS  31           HE2      HIS  31   5.640  -5.503  -3.243
  245    H    LYS  32           H        LYS  32   1.962  -0.033  -2.863
  246    HA   LYS  32           HA       LYS  32  -0.618   0.100  -1.537
  247   1HB   LYS  32          2HB       LYS  32   0.692   2.620  -2.554
  248   2HB   LYS  32          1HB       LYS  32  -0.842   2.480  -1.707
  249   1HG   LYS  32          2HG       LYS  32   0.176   2.728   0.240
  250   2HG   LYS  32          1HG       LYS  32   1.217   1.342  -0.093
  251   1HD   LYS  32          2HD       LYS  32   2.902   2.813  -0.091
  252   2HD   LYS  32          1HD       LYS  32   2.300   3.312  -1.673
  253   1HE   LYS  32          2HE       LYS  32   2.631   5.236  -0.212
  254   2HE   LYS  32          1HE       LYS  32   0.927   5.030  -0.616
  255   1HZ   LYS  32          1HZ       LYS  32   0.637   3.913   1.545
  256   2HZ   LYS  32          2HZ       LYS  32   1.140   5.520   1.705
  257   3HZ   LYS  32          3HZ       LYS  32   2.247   4.262   1.930
  258    H    CYS  33           H        CYS  33  -1.387   2.249  -3.410
  259    HA   CYS  33           HA       CYS  33  -1.803   0.564  -5.762
  260   1HB   CYS  33          2HB       CYS  33  -3.273   2.868  -4.528
  261   2HB   CYS  33          1HB       CYS  33  -3.561   2.421  -6.201
  262    H    ILE  34           H        ILE  34  -0.890   1.061  -7.663
  263    HA   ILE  34           HA       ILE  34   0.293   3.742  -7.976
  264    HB   ILE  34           HB       ILE  34   1.711   2.210  -9.727
  265   1HG1  ILE  34          2HG1      ILE  34   0.473   0.263  -8.385
  266   2HG1  ILE  34          1HG1      ILE  34   2.124   0.089  -8.970
  267   1HG2  ILE  34          1HG2      ILE  34   3.521   2.307  -7.988
  268   2HG2  ILE  34          2HG2      ILE  34   2.311   2.935  -6.868
  269   3HG2  ILE  34          3HG2      ILE  34   2.719   3.842  -8.324
  270   1HD1  ILE  34          1HD1      ILE  34   2.163   1.297  -6.386
  271   2HD1  ILE  34          2HD1      ILE  34   2.848  -0.241  -6.911
  272   3HD1  ILE  34          3HD1      ILE  34   1.180  -0.167  -6.341
  273    H    GLY  35           HN       GLY  35   1.092   2.879 -10.739
  274   1HA   GLY  35          2HA       GLY  35  -1.200   2.268 -12.260
  275   2HA   GLY  35          1HA       GLY  35  -1.038   4.015 -12.156
  Start of MODEL   20
    1    HN   PCA   1           HN       PCA   1 -10.567  -7.982  -3.431
    2    HA   PCA   1           HA       PCA   1 -13.241  -8.237  -3.054
    3   1HB   PCA   1          1HB       PCA   1 -12.499  -7.070  -0.375
    4   2HB   PCA   1          2HB       PCA   1 -13.789  -8.239  -0.786
    5   1HG   PCA   1          1HG       PCA   1 -11.265  -8.905   0.321
    6   2HG   PCA   1          2HG       PCA   1 -12.366 -10.051  -0.504
    7    H    GLN   2           H        GLN   2 -13.813  -6.579  -4.296
    8    HA   GLN   2           HA       GLN   2 -14.098  -4.478  -5.114
    9   1HB   GLN   2          2HB       GLN   2 -14.897  -3.895  -2.915
   10   2HB   GLN   2          1HB       GLN   2 -13.252  -3.729  -2.315
   11   1HG   GLN   2          2HG       GLN   2 -13.252  -1.975  -4.391
   12   2HG   GLN   2          1HG       GLN   2 -14.913  -1.846  -3.813
   13   1HE2  GLN   2          1HE2      GLN   2 -11.823  -2.368  -2.155
   14   2HE2  GLN   2          2HE2      GLN   2 -11.971  -1.018  -1.087
   15    H    CYS   3           H        CYS   3 -12.928  -2.347  -5.483
   16    HA   CYS   3           HA       CYS   3 -10.296  -2.963  -6.446
   17   1HB   CYS   3          2HB       CYS   3 -10.437  -1.007  -7.659
   18   2HB   CYS   3          1HB       CYS   3 -12.143  -1.369  -7.459
   19    H    VAL   4           H        VAL   4  -9.241  -0.307  -6.149
   20    HA   VAL   4           HA       VAL   4  -8.917   0.255  -3.352
   21    HB   VAL   4           HB       VAL   4  -6.461  -0.641  -4.852
   22   1HG1  VAL   4          1HG1      VAL   4  -5.879   0.920  -3.178
   23   2HG1  VAL   4          2HG1      VAL   4  -5.535  -0.669  -2.495
   24   3HG1  VAL   4          3HG1      VAL   4  -6.993   0.200  -2.015
   25   1HG2  VAL   4          1HG2      VAL   4  -6.486  -2.665  -3.529
   26   2HG2  VAL   4          2HG2      VAL   4  -7.990  -2.537  -4.443
   27   3HG2  VAL   4          3HG2      VAL   4  -7.967  -2.151  -2.722
   28    H    LYS   5           H        LYS   5  -8.581   2.365  -3.144
   29    HA   LYS   5           HA       LYS   5  -8.257   3.994  -5.466
   30   1HB   LYS   5          2HB       LYS   5  -9.258   4.321  -2.854
   31   2HB   LYS   5          1HB       LYS   5  -7.941   5.467  -3.035
   32   1HG   LYS   5          2HG       LYS   5  -9.273   5.826  -5.372
   33   2HG   LYS   5          1HG       LYS   5 -10.594   5.437  -4.268
   34   1HD   LYS   5          2HD       LYS   5 -10.507   7.480  -3.397
   35   2HD   LYS   5          1HD       LYS   5  -8.807   7.255  -2.980
   36   1HE   LYS   5          2HE       LYS   5  -8.244   8.741  -4.530
   37   2HE   LYS   5          1HE       LYS   5  -8.937   7.694  -5.768
   38   1HZ   LYS   5          1HZ       LYS   5 -11.144   8.764  -5.060
   39   2HZ   LYS   5          2HZ       LYS   5 -10.089   9.664  -6.027
   40   3HZ   LYS   5          3HZ       LYS   5 -10.179   9.969  -4.366
   41    H    LYS   6           H        LYS   6  -6.530   5.249  -6.071
   42    HA   LYS   6           HA       LYS   6  -3.952   4.343  -5.531
   43   1HB   LYS   6          2HB       LYS   6  -4.185   5.541  -7.524
   44   2HB   LYS   6          1HB       LYS   6  -5.033   6.868  -6.740
   45   1HG   LYS   6          2HG       LYS   6  -3.131   7.920  -6.162
   46   2HG   LYS   6          1HG       LYS   6  -2.273   6.414  -5.830
   47   1HD   LYS   6          2HD       LYS   6  -1.183   6.757  -7.746
   48   2HD   LYS   6          1HD       LYS   6  -2.693   6.353  -8.566
   49   1HE   LYS   6          2HE       LYS   6  -1.786   8.466  -9.380
   50   2HE   LYS   6          1HE       LYS   6  -3.331   8.708  -8.565
   51   1HZ   LYS   6          1HZ       LYS   6  -0.656   9.562  -7.772
   52   2HZ   LYS   6          2HZ       LYS   6  -1.709   9.100  -6.532
   53   3HZ   LYS   6          3HZ       LYS   6  -2.142  10.349  -7.587
   54    H    ASP   7           H        ASP   7  -2.312   5.037  -4.200
   55    HA   ASP   7           HA       ASP   7  -1.272   6.386  -2.598
   56   1HB   ASP   7          2HB       ASP   7  -3.508   7.938  -3.117
   57   2HB   ASP   7          1HB       ASP   7  -3.654   7.565  -1.402
   58    H    GLU   8           H        GLU   8  -3.966   4.344  -2.332
   59    HA   GLU   8           HA       GLU   8  -3.650   3.925   0.534
   60   1HB   GLU   8          2HB       GLU   8  -5.501   2.524  -1.406
   61   2HB   GLU   8          1HB       GLU   8  -5.574   2.453   0.350
   62   1HG   GLU   8          2HG       GLU   8  -6.105   4.833   0.431
   63   2HG   GLU   8          1HG       GLU   8  -6.023   4.912  -1.329
   64    H    LEU   9           H        LEU   9  -2.948   1.986   1.447
   65    HA   LEU   9           HA       LEU   9  -0.878   0.661   0.121
   66   1HB   LEU   9          2HB       LEU   9  -2.442   0.036   2.607
   67   2HB   LEU   9          1HB       LEU   9  -1.115  -0.971   2.063
   68    HG   LEU   9           HG       LEU   9  -0.879   1.121   3.786
   69   1HD1  LEU   9          1HD1      LEU   9   1.556   0.979   3.296
   70   2HD1  LEU   9          2HD1      LEU   9   1.168  -0.028   1.901
   71   3HD1  LEU   9          3HD1      LEU   9   0.777  -0.586   3.528
   72   1HD2  LEU   9          1HD2      LEU   9  -0.616   2.160   1.025
   73   2HD2  LEU   9          2HD2      LEU   9   0.592   2.677   2.203
   74   3HD2  LEU   9          3HD2      LEU   9  -1.120   2.979   2.504
   75    H    CYS  10           H        CYS  10  -0.920  -1.922   0.307
   76    HA   CYS  10           HA       CYS  10  -3.150  -3.430  -0.269
   77   1HB   CYS  10          2HB       CYS  10  -3.165  -1.755  -2.262
   78   2HB   CYS  10          1HB       CYS  10  -1.834  -2.729  -2.874
   79    H    ILE  11           H        ILE  11  -2.287  -5.244  -2.126
   80    HA   ILE  11           HA       ILE  11   0.486  -5.864  -1.560
   81    HB   ILE  11           HB       ILE  11  -1.474  -8.033  -0.995
   82   1HG1  ILE  11          2HG1      ILE  11  -0.603  -5.936   1.005
   83   2HG1  ILE  11          1HG1      ILE  11  -2.237  -6.155   0.389
   84   1HG2  ILE  11          1HG2      ILE  11   1.143  -7.472   0.359
   85   2HG2  ILE  11          2HG2      ILE  11   1.069  -8.274  -1.211
   86   3HG2  ILE  11          3HG2      ILE  11   0.291  -9.007   0.193
   87   1HD1  ILE  11          1HD1      ILE  11  -0.951  -8.485   1.680
   88   2HD1  ILE  11          2HD1      ILE  11  -2.634  -7.957   1.700
   89   3HD1  ILE  11          3HD1      ILE  11  -1.442  -7.142   2.712
   90    HA   PRO  12           HA       PRO  12  -0.037  -7.305  -5.742
   91   1HB   PRO  12          2HB       PRO  12   2.513  -8.088  -6.153
   92   2HB   PRO  12          1HB       PRO  12   2.046  -6.383  -6.100
   93   1HG   PRO  12          2HG       PRO  12   3.300  -8.071  -3.971
   94   2HG   PRO  12          1HG       PRO  12   3.675  -6.404  -4.444
   95   1HD   PRO  12          2HD       PRO  12   2.138  -7.040  -2.282
   96   2HD   PRO  12          1HD       PRO  12   1.951  -5.533  -3.202
   97    H    TYR  13           H        TYR  13  -0.699  -9.070  -3.464
   98    HA   TYR  13           HA       TYR  13  -0.601 -11.563  -4.861
   99   1HB   TYR  13          2HB       TYR  13   0.784 -11.545  -2.183
  100   2HB   TYR  13          1HB       TYR  13   0.714 -12.851  -3.361
  101    HD1  TYR  13           HD1      TYR  13   2.461  -9.867  -2.303
  102    HD2  TYR  13           HD2      TYR  13   2.026 -12.669  -5.475
  103    HE1  TYR  13           HE1      TYR  13   4.603  -9.118  -3.249
  104    HE2  TYR  13           HE2      TYR  13   4.168 -11.927  -6.430
  105    HH   TYR  13           HH       TYR  13   5.768  -9.102  -5.385
  106    H    TYR  14           H        TYR  14  -2.567  -9.752  -3.765
  107    HA   TYR  14           HA       TYR  14  -4.209 -11.673  -2.418
  108   1HB   TYR  14          2HB       TYR  14  -2.670  -9.832  -0.833
  109   2HB   TYR  14          1HB       TYR  14  -4.385  -9.478  -0.654
  110    HD1  TYR  14           HD1      TYR  14  -1.703 -11.546   0.410
  111    HD2  TYR  14           HD2      TYR  14  -5.926 -11.478  -0.094
  112    HE1  TYR  14           HE1      TYR  14  -1.917 -13.407   2.003
  113    HE2  TYR  14           HE2      TYR  14  -6.153 -13.338   1.496
  114    HH   TYR  14           HH       TYR  14  -5.093 -14.795   2.790
  115    H    LEU  15           H        LEU  15  -4.173  -8.129  -2.229
  116    HA   LEU  15           HA       LEU  15  -6.804  -8.104  -3.525
  117   1HB   LEU  15          2HB       LEU  15  -5.927  -5.560  -2.464
  118   2HB   LEU  15          1HB       LEU  15  -7.371  -6.483  -2.100
  119    HG   LEU  15           HG       LEU  15  -5.520  -7.902  -0.729
  120   1HD1  LEU  15          1HD1      LEU  15  -3.949  -5.913  -1.467
  121   2HD1  LEU  15          2HD1      LEU  15  -3.820  -6.652   0.129
  122   3HD1  LEU  15          3HD1      LEU  15  -4.689  -5.130  -0.071
  123   1HD2  LEU  15          1HD2      LEU  15  -6.327  -5.922   1.056
  124   2HD2  LEU  15          2HD2      LEU  15  -7.136  -7.454   0.727
  125   3HD2  LEU  15          3HD2      LEU  15  -7.606  -6.001  -0.155
  126    H    ASP  16           H        ASP  16  -7.280  -6.214  -4.928
  127    HA   ASP  16           HA       ASP  16  -4.926  -5.357  -6.472
  128   1HB   ASP  16          2HB       ASP  16  -6.403  -7.209  -7.530
  129   2HB   ASP  16          1HB       ASP  16  -7.572  -5.918  -7.789
  130    H    CYS  17           H        CYS  17  -5.240  -3.356  -7.680
  131    HA   CYS  17           HA       CYS  17  -6.869  -1.495  -6.166
  132   1HB   CYS  17          2HB       CYS  17  -4.820  -1.051  -8.343
  133   2HB   CYS  17          1HB       CYS  17  -5.635   0.223  -7.451
  134    H    CYS  18           H        CYS  18  -8.038   0.243  -7.389
  135    HA   CYS  18           HA       CYS  18 -10.021  -0.889  -9.014
  136   1HB   CYS  18          2HB       CYS  18  -9.522   2.034  -9.214
  137   2HB   CYS  18          1HB       CYS  18 -11.030   1.158  -8.975
  138    H    GLU  19           H        GLU  19  -8.487   1.975 -10.272
  139    HA   GLU  19           HA       GLU  19  -6.819   1.085 -12.219
  140   1HB   GLU  19          2HB       GLU  19  -9.423   0.114 -12.748
  141   2HB   GLU  19          1HB       GLU  19  -9.099   1.367 -13.937
  142   1HG   GLU  19          2HG       GLU  19  -7.469   0.175 -14.960
  143   2HG   GLU  19          1HG       GLU  19  -6.960  -0.618 -13.470
  144    HA   PRO  20           HA       PRO  20  -6.367   1.528 -14.326
  145   1HB   PRO  20          2HB       PRO  20  -4.477   2.997 -15.521
  146   2HB   PRO  20          1HB       PRO  20  -6.147   3.000 -16.100
  147   1HG   PRO  20          2HG       PRO  20  -4.712   5.028 -14.442
  148   2HG   PRO  20          1HG       PRO  20  -5.877   5.273 -15.755
  149   1HD   PRO  20          2HD       PRO  20  -6.479   5.395 -13.053
  150   2HD   PRO  20          1HD       PRO  20  -7.661   5.109 -14.344
  151    H    LEU  21           H        LEU  21  -5.927   2.169 -11.518
  152    HA   LEU  21           HA       LEU  21  -3.065   2.384 -11.166
  153   1HB   LEU  21          2HB       LEU  21  -5.124   1.689  -9.079
  154   2HB   LEU  21          1HB       LEU  21  -3.510   2.321  -8.817
  155    HG   LEU  21           HG       LEU  21  -5.551   3.925 -10.323
  156   1HD1  LEU  21          1HD1      LEU  21  -5.383   4.835  -7.650
  157   2HD1  LEU  21          2HD1      LEU  21  -5.774   3.115  -7.607
  158   3HD1  LEU  21          3HD1      LEU  21  -6.795   4.229  -8.516
  159   1HD2  LEU  21          1HD2      LEU  21  -3.951   5.557  -8.767
  160   2HD2  LEU  21          2HD2      LEU  21  -3.766   5.247 -10.493
  161   3HD2  LEU  21          3HD2      LEU  21  -2.853   4.295  -9.323
  162    H    GLU  22           H        GLU  22  -2.030   0.737  -9.609
  163    HA   GLU  22           HA       GLU  22  -2.955  -1.988 -10.179
  164   1HB   GLU  22          2HB       GLU  22  -1.085  -1.098 -11.761
  165   2HB   GLU  22          1HB       GLU  22  -0.034  -1.337 -10.372
  166   1HG   GLU  22          2HG       GLU  22  -0.098  -3.228 -12.003
  167   2HG   GLU  22          1HG       GLU  22  -0.460  -3.663 -10.333
  168    H    CYS  23           H        CYS  23  -3.221  -2.975  -8.302
  169    HA   CYS  23           HA       CYS  23  -2.165  -2.054  -5.853
  170   1HB   CYS  23          2HB       CYS  23  -4.165  -3.280  -5.697
  171   2HB   CYS  23          1HB       CYS  23  -3.551  -4.584  -6.707
  172    H    LYS  24           H        LYS  24   0.100  -1.889  -6.174
  173    HA   LYS  24           HA       LYS  24   1.500  -4.383  -5.649
  174   1HB   LYS  24          2HB       LYS  24   3.244  -3.491  -7.451
  175   2HB   LYS  24          1HB       LYS  24   1.925  -4.571  -7.884
  176   1HG   LYS  24          2HG       LYS  24   1.177  -3.083  -9.336
  177   2HG   LYS  24          1HG       LYS  24   0.956  -1.912  -8.036
  178   1HD   LYS  24          2HD       LYS  24   2.477  -1.274 -10.013
  179   2HD   LYS  24          1HD       LYS  24   3.055  -0.956  -8.376
  180   1HE   LYS  24          2HE       LYS  24   4.837  -2.231  -8.727
  181   2HE   LYS  24          1HE       LYS  24   3.807  -3.604  -9.127
  182   1HZ   LYS  24          1HZ       LYS  24   5.378  -1.986 -10.848
  183   2HZ   LYS  24          2HZ       LYS  24   3.760  -1.965 -11.341
  184   3HZ   LYS  24          3HZ       LYS  24   4.577  -3.438 -11.184
  185    H    LYS  25           H        LYS  25   4.095  -3.313  -6.141
  186    HA   LYS  25           HA       LYS  25   4.496  -1.899  -3.694
  187   1HB   LYS  25          2HB       LYS  25   6.101  -3.548  -4.700
  188   2HB   LYS  25          1HB       LYS  25   6.488  -2.342  -5.919
  189   1HG   LYS  25          2HG       LYS  25   7.239  -0.819  -4.134
  190   2HG   LYS  25          1HG       LYS  25   6.914  -2.086  -2.949
  191   1HD   LYS  25          2HD       LYS  25   9.273  -2.059  -3.510
  192   2HD   LYS  25          1HD       LYS  25   8.530  -3.545  -4.103
  193   1HE   LYS  25          2HE       LYS  25   8.215  -2.052  -6.279
  194   2HE   LYS  25          1HE       LYS  25   9.616  -1.225  -5.601
  195   1HZ   LYS  25          1HZ       LYS  25   9.801  -4.113  -5.643
  196   2HZ   LYS  25          2HZ       LYS  25  10.953  -2.948  -6.060
  197   3HZ   LYS  25          3HZ       LYS  25   9.755  -3.386  -7.171
  198    H    VAL  26           H        VAL  26   4.573   0.200  -3.323
  199    HA   VAL  26           HA       VAL  26   4.262   2.053  -5.546
  200    HB   VAL  26           HB       VAL  26   4.477   3.141  -2.815
  201   1HG1  VAL  26          1HG1      VAL  26   3.556   4.767  -4.035
  202   2HG1  VAL  26          2HG1      VAL  26   2.052   3.859  -3.889
  203   3HG1  VAL  26          3HG1      VAL  26   3.071   3.653  -5.313
  204   1HG2  VAL  26          1HG2      VAL  26   2.930   1.933  -1.762
  205   2HG2  VAL  26          2HG2      VAL  26   3.090   0.751  -3.060
  206   3HG2  VAL  26          3HG2      VAL  26   1.840   1.991  -3.148
  207    H    ASN  27           H        ASN  27   6.635   0.938  -3.325
  208    HA   ASN  27           HA       ASN  27   8.620   2.711  -4.514
  209   1HB   ASN  27          2HB       ASN  27   9.178   2.429  -1.720
  210   2HB   ASN  27          1HB       ASN  27   9.000   3.897  -2.666
  211   1HD2  ASN  27          1HD2      ASN  27   6.683   1.350  -1.859
  212   2HD2  ASN  27          2HD2      ASN  27   5.550   2.390  -1.070
  213    H    TRP  28           H        TRP  28   9.629   1.257  -1.667
  214    HA   TRP  28           HA       TRP  28  10.561  -1.163  -3.034
  215   1HB   TRP  28          2HB       TRP  28  12.774  -0.802  -2.559
  216   2HB   TRP  28          1HB       TRP  28  12.258   0.876  -2.697
  217    HD1  TRP  28           HD1      TRP  28  10.840   1.044   0.205
  218    HE1  TRP  28           HE1      TRP  28  12.338   1.180   2.292
  219    HE3  TRP  28           HE3      TRP  28  15.146  -0.874  -1.764
  220    HZ2  TRP  28           HZ2      TRP  28  14.998   0.555   3.008
  221    HZ3  TRP  28           HZ3      TRP  28  17.124  -1.073  -0.313
  222    HH2  TRP  28           HH2      TRP  28  17.049  -0.372   2.025
  223    H    TRP  29           H        TRP  29   9.145   0.306  -0.363
  224    HA   TRP  29           HA       TRP  29   9.266  -2.214   1.134
  225   1HB   TRP  29          2HB       TRP  29   9.975  -1.256   3.088
  226   2HB   TRP  29          1HB       TRP  29  10.781  -0.180   1.951
  227    HD1  TRP  29           HD1      TRP  29   7.552  -0.292   4.083
  228    HE1  TRP  29           HE1      TRP  29   6.918   2.125   4.696
  229    HE3  TRP  29           HE3      TRP  29  11.143   2.191   1.424
  230    HZ2  TRP  29           HZ2      TRP  29   7.819   4.738   4.127
  231    HZ3  TRP  29           HZ3      TRP  29  11.187   4.649   1.510
  232    HH2  TRP  29           HH2      TRP  29   9.557   5.894   2.835
  233    H    ASP  30           H        ASP  30   7.596   0.762   0.363
  234    HA   ASP  30           HA       ASP  30   5.231  -0.080   1.858
  235   1HB   ASP  30          2HB       ASP  30   6.145   2.321   1.848
  236   2HB   ASP  30          1HB       ASP  30   5.480   2.436   0.223
  237    H    HIS  31           H        HIS  31   3.697  -1.233   0.915
  238    HA   HIS  31           HA       HIS  31   3.509  -1.223  -2.012
  239   1HB   HIS  31          2HB       HIS  31   2.976  -3.246   0.098
  240   2HB   HIS  31          1HB       HIS  31   1.944  -3.284  -1.325
  241    HD1  HIS  31           HD1      HIS  31   5.696  -3.087  -0.673
  242    HD2  HIS  31           HD2      HIS  31   2.965  -4.897  -3.229
  243    HE1  HIS  31           HE1      HIS  31   7.066  -4.536  -2.204
  244    HE2  HIS  31           HE2      HIS  31   5.387  -5.679  -3.694
  245    H    LYS  32           H        LYS  32   1.891  -0.151  -2.925
  246    HA   LYS  32           HA       LYS  32  -0.707  -0.031  -1.617
  247   1HB   LYS  32          2HB       LYS  32   0.658   2.477  -2.591
  248   2HB   LYS  32          1HB       LYS  32  -0.897   2.357  -1.781
  249   1HG   LYS  32          2HG       LYS  32   0.213   1.599   0.255
  250   2HG   LYS  32          1HG       LYS  32   1.776   1.708  -0.556
  251   1HD   LYS  32          2HD       LYS  32   0.046   4.118  -0.574
  252   2HD   LYS  32          1HD       LYS  32   0.816   3.676   0.951
  253   1HE   LYS  32          2HE       LYS  32   2.989   3.548  -0.339
  254   2HE   LYS  32          1HE       LYS  32   2.133   4.310  -1.678
  255   1HZ   LYS  32          1HZ       LYS  32   2.943   5.442   0.894
  256   2HZ   LYS  32          2HZ       LYS  32   1.509   6.013   0.203
  257   3HZ   LYS  32          3HZ       LYS  32   2.965   6.139  -0.648
  258    H    CYS  33           H        CYS  33  -1.407   2.173  -3.489
  259    HA   CYS  33           HA       CYS  33  -1.824   0.501  -5.857
  260   1HB   CYS  33          2HB       CYS  33  -3.338   2.735  -4.565
  261   2HB   CYS  33          1HB       CYS  33  -3.585   2.389  -6.270
  262    H    ILE  34           H        ILE  34  -1.002   1.060  -7.788
  263    HA   ILE  34           HA       ILE  34   0.103   3.771  -8.103
  264    HB   ILE  34           HB       ILE  34   1.707   2.207  -9.710
  265   1HG1  ILE  34          2HG1      ILE  34   0.780   0.199  -8.521
  266   2HG1  ILE  34          1HG1      ILE  34   2.527   0.377  -8.385
  267   1HG2  ILE  34          1HG2      ILE  34   2.181   3.274  -6.933
  268   2HG2  ILE  34          2HG2      ILE  34   2.488   4.095  -8.463
  269   3HG2  ILE  34          3HG2      ILE  34   3.456   2.694  -8.004
  270   1HD1  ILE  34          1HD1      ILE  34   1.996  -0.139  -6.235
  271   2HD1  ILE  34          2HD1      ILE  34   0.422   0.651  -6.315
  272   3HD1  ILE  34          3HD1      ILE  34   1.888   1.620  -6.160
  273    H    GLY  35           HN       GLY  35   1.129   2.688 -10.776
  274   1HA   GLY  35          2HA       GLY  35  -1.402   2.401 -12.223
  275   2HA   GLY  35          1HA       GLY  35  -0.388   3.784 -12.611