*HEADER    TOXIN                                   10-DEC-02   1NE5              
*TITLE     SOLUTION STRUCUTURE OF HERG SPECIFIC SCORPION TOXIN CNERG1            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ERGTOXIN;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CNERG1, ERGTX;                                              
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN                     
*SOURCE   4 CENTRUROIDES NOXIUS                                                  
*KEYWDS    ALPHA-HELIX, TRIPLE-STRANDED BETA-SHEET                               
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.M.TORRES, B.PARAMJIT, P.ALEWOOD, P.W.KUCHEL,                        
*AUTHOR   2 J.I.VANDENBERG                                                       
*REVDAT   1   01-APR-03 1NE5    0                                                

{PHI angles}
assign ( resid 39 and name c ) (  resid 40 and name n )
 ( resid 40 and name ca ) ( resid 40 and name c ) 1.0 -120.0 30.0 2
assign ( resid 38 and name c ) (  resid 39 and name n )
 ( resid 39 and name ca ) ( resid 39 and name c ) 1.0 -120.0 30.0 2
assign ( resid 37 and name c ) (  resid 38 and name n )
 ( resid 38 and name ca ) ( resid 38 and name c ) 1.0 -120.0 30.0 2
assign ( resid 34 and name c ) (  resid 35 and name n )
 ( resid 35 and name ca ) ( resid 35 and name c ) 1.0 -120.0 30.0 2
assign ( resid 28 and name c ) (  resid 29 and name n )
 ( resid 29 and name ca ) ( resid 29 and name c ) 1.0 -120.0 30.0 2
assign ( resid 11 and name c ) (  resid 12 and name n )
 ( resid 12 and name ca ) ( resid 12 and name c ) 1.0 -120.0 30.0 2
assign ( resid 5 and name c ) (  resid 6 and name n )
 ( resid 6 and name ca ) ( resid 6 and name c ) 1.0 -60.0 40.0 2
assign ( resid 12 and name c ) (  resid 13 and name n )
 ( resid 13 and name ca ) ( resid 13 and name c ) 1.0 -60.0 40.0 2
assign ( resid 22 and name c ) (  resid 23 and name n )
 ( resid 23 and name ca ) ( resid 23 and name c ) 1.0 -60.0 40.0 2
assign ( resid 23 and name c ) (  resid 24 and name n )
 ( resid 24 and name ca ) ( resid 24 and name c ) 1.0 -60.0 40.0 2
assign ( resid 25 and name c ) (  resid 26 and name n )
 ( resid 26 and name ca ) ( resid 26 and name c ) 1.0 -60.0 40.0 2
{PSI angles}
{CHI1 angles}
{more CHI1 angles}
{CHI2 angles}
{more CHI2 angles}
{CHI21 angles}

remark input file: egnoe.cfm
remark output file: egnoe.tbl
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  3.86
assign (resid   2 and name HN    )(resid   2 and name HB1   )  0.00  0.00  3.86
assign (resid   2 and name HN    )(resid   2 and name HG2   )  0.00  0.00  5.50
assign (resid   2 and name HN    )(resid   2 and name HG1   )  0.00  0.00  5.50
assign (resid   2 and name HN    )(resid   2 and name HG*   )  0.00  0.00  5.24
assign (resid   2 and name HN    )(resid   2 and name HD*   )  0.00  0.00  6.38
assign (resid   2 and name HA    )(resid   2 and name HG*   )  0.00  0.00  3.97
assign (resid   2 and name HA    )(resid   2 and name HD*   )  0.00  0.00  6.38
assign (resid   2 and name HA    )(resid   2 and name HE    )  0.00  0.00  5.03
assign (resid   2 and name HB2   )(resid   2 and name HE    )  0.00  0.00  5.50
assign (resid   2 and name HB1   )(resid   2 and name HE    )  0.00  0.00  5.50
assign (resid   3 and name HN    )(resid   3 and name HB2   )  0.00  0.00  3.33
assign (resid   3 and name HN    )(resid   3 and name HB1   )  0.00  0.00  3.33
assign (resid   3 and name HN    )(resid   3 and name HB*   )  0.00  0.00  3.10
assign (resid   4 and name HN    )(resid   4 and name HB*   )  0.00  0.00  3.54
assign (resid   5 and name HN    )(resid   5 and name HB*   )  0.00  0.00  3.50
assign (resid   5 and name HA    )(resid   5 and name HB*   )  0.00  0.00  2.70
assign (resid   6 and name HN    )(resid   6 and name HB    )  0.00  0.00  2.80
assign (resid   6 and name HN    )(resid   6 and name HG1*  )  0.00  0.00  4.76
assign (resid   6 and name HN    )(resid   6 and name HG2*  )  0.00  0.00  4.76
assign (resid   6 and name HA    )(resid   6 and name HB    )  0.00  0.00  2.90
assign (resid   7 and name HN    )(resid   7 and name HB2   )  0.00  0.00  3.39
assign (resid   7 and name HN    )(resid   7 and name HB1   )  0.00  0.00  3.39
assign (resid   8 and name HN    )(resid   8 and name HB2   )  0.00  0.00  3.11
assign (resid   8 and name HN    )(resid   8 and name HB1   )  0.00  0.00  3.11
assign (resid   8 and name HN    )(resid   8 and name HB*   )  0.00  0.00  2.88
assign (resid   8 and name HN    )(resid   8 and name HG2   )  0.00  0.00  4.94
assign (resid   8 and name HN    )(resid   8 and name HG1   )  0.00  0.00  4.94
assign (resid   8 and name HN    )(resid   8 and name HG*   )  0.00  0.00  4.60
assign (resid   8 and name HN    )(resid   8 and name HD*   )  0.00  0.00  6.38
assign (resid   8 and name HN    )(resid   8 and name HE*   )  0.00  0.00  5.20
assign (resid   8 and name HA    )(resid   8 and name HB*   )  0.00  0.00  2.66
assign (resid   8 and name HA    )(resid   8 and name HD*   )  0.00  0.00  5.60
assign (resid   8 and name HA    )(resid   8 and name HE*   )  0.00  0.00  5.82
assign (resid   8 and name HB2   )(resid   8 and name HE2   )  0.00  0.00  7.25
assign (resid   8 and name HB2   )(resid   8 and name HE1   )  0.00  0.00  7.25
assign (resid   8 and name HB1   )(resid   8 and name HE2   )  0.00  0.00  7.25
assign (resid   8 and name HB1   )(resid   8 and name HE1   )  0.00  0.00  7.25
assign (resid   8 and name HB*   )(resid   8 and name HE*   )  0.00  0.00  6.32
assign (resid   9 and name HN    )(resid   9 and name HB2   )  0.00  0.00  2.99
assign (resid   9 and name HN    )(resid   9 and name HB1   )  0.00  0.00  2.99
assign (resid   9 and name HN    )(resid   9 and name HB*   )  0.00  0.00  2.73
assign (resid  10 and name HN    )(resid  10 and name HB2   )  0.00  0.00  3.14
assign (resid  10 and name HN    )(resid  10 and name HB1   )  0.00  0.00  3.14
assign (resid  10 and name HN    )(resid  10 and name HG2   )  0.00  0.00  4.45
assign (resid  10 and name HN    )(resid  10 and name HG1   )  0.00  0.00  4.45
assign (resid  10 and name HN    )(resid  10 and name HG*   )  0.00  0.00  4.05
assign (resid  10 and name HN    )(resid  10 and name HD*   )  0.00  0.00  6.38
assign (resid  10 and name HA    )(resid  10 and name HD*   )  0.00  0.00  6.38
assign (resid  10 and name HA    )(resid  10 and name HE    )  0.00  0.00  5.50
assign (resid  10 and name HB2   )(resid  10 and name HE    )  0.00  0.00  5.50
assign (resid  10 and name HB1   )(resid  10 and name HE    )  0.00  0.00  5.50
assign (resid  10 and name HB*   )(resid  10 and name HE    )  0.00  0.00  5.20
assign (resid  11 and name HN    )(resid  11 and name HB2   )  0.00  0.00  3.39
assign (resid  11 and name HN    )(resid  11 and name HB1   )  0.00  0.00  3.39
assign (resid  11 and name HN    )(resid  11 and name HB*   )  0.00  0.00  3.21
assign (resid  13 and name HN    )(resid  13 and name HB2   )  0.00  0.00  2.90
assign (resid  13 and name HN    )(resid  13 and name HB1   )  0.00  0.00  2.90
assign (resid  13 and name HN    )(resid  13 and name HG2   )  0.00  0.00  5.50
assign (resid  13 and name HN    )(resid  13 and name HG1   )  0.00  0.00  5.50
assign (resid  13 and name HN    )(resid  13 and name HD2   )  0.00  0.00  5.50
assign (resid  13 and name HN    )(resid  13 and name HD1   )  0.00  0.00  5.50
assign (resid  13 and name HB2   )(resid  13 and name HE2   )  0.00  0.00  7.25
assign (resid  13 and name HB2   )(resid  13 and name HE1   )  0.00  0.00  7.25
assign (resid  13 and name HB2   )(resid  13 and name HZ1   )  0.00  0.00  5.50
assign (resid  13 and name HB1   )(resid  13 and name HE2   )  0.00  0.00  7.25
assign (resid  13 and name HB1   )(resid  13 and name HE1   )  0.00  0.00  7.25
assign (resid  13 and name HB1   )(resid  13 and name HZ1   )  0.00  0.00  5.50
assign (resid  13 and name HB*   )(resid  13 and name HE*   )  0.00  0.00  6.32
assign (resid  13 and name HG2   )(resid  13 and name HZ1   )  0.00  0.00  5.50
assign (resid  13 and name HG1   )(resid  13 and name HZ1   )  0.00  0.00  5.50
assign (resid  14 and name HN    )(resid  14 and name HB2   )  0.00  0.00  3.98
assign (resid  14 and name HN    )(resid  14 and name HB1   )  0.00  0.00  3.98
assign (resid  14 and name HN    )(resid  14 and name HB*   )  0.00  0.00  3.68
assign (resid  14 and name HA    )(resid  14 and name HD1   )  0.00  0.00  5.50
assign (resid  16 and name HN    )(resid  16 and name HB2   )  0.00  0.00  2.80
assign (resid  16 and name HN    )(resid  16 and name HB1   )  0.00  0.00  2.80
assign (resid  16 and name HB*   )(resid  16 and name HE1   )  0.00  0.00  5.13
assign (resid  17 and name HN    )(resid  17 and name HB2   )  0.00  0.00  3.42
assign (resid  17 and name HN    )(resid  17 and name HB1   )  0.00  0.00  3.42
assign (resid  17 and name HN    )(resid  17 and name HB*   )  0.00  0.00  3.20
assign (resid  17 and name HB*   )(resid  17 and name HD1   )  0.00  0.00  3.16
assign (resid  18 and name HN    )(resid  18 and name HB2   )  0.00  0.00  3.02
assign (resid  18 and name HN    )(resid  18 and name HB1   )  0.00  0.00  3.02
assign (resid  18 and name HN    )(resid  18 and name HB*   )  0.00  0.00  2.81
assign (resid  18 and name HN    )(resid  18 and name HG2   )  0.00  0.00  5.50
assign (resid  18 and name HN    )(resid  18 and name HG1   )  0.00  0.00  5.50
assign (resid  18 and name HA    )(resid  18 and name HB2   )  0.00  0.00  3.02
assign (resid  18 and name HA    )(resid  18 and name HB1   )  0.00  0.00  3.02
assign (resid  18 and name HA    )(resid  18 and name HG2   )  0.00  0.00  3.92
assign (resid  18 and name HA    )(resid  18 and name HG1   )  0.00  0.00  3.92
assign (resid  18 and name HA    )(resid  18 and name HG*   )  0.00  0.00  3.57
assign (resid  18 and name HA    )(resid  18 and name HE2*  )  0.00  0.00  6.37
assign (resid  19 and name HN    )(resid  19 and name HB*   )  0.00  0.00  3.40
assign (resid  19 and name HN    )(resid  19 and name HG2   )  0.00  0.00  5.50
assign (resid  19 and name HN    )(resid  19 and name HG1   )  0.00  0.00  5.50
assign (resid  19 and name HN    )(resid  19 and name HG*   )  0.00  0.00  4.76
assign (resid  19 and name HA    )(resid  19 and name HB*   )  0.00  0.00  2.66
assign (resid  19 and name HA    )(resid  19 and name HG2   )  0.00  0.00  3.39
assign (resid  19 and name HA    )(resid  19 and name HG1   )  0.00  0.00  3.39
assign (resid  19 and name HA    )(resid  19 and name HG*   )  0.00  0.00  3.07
assign (resid  20 and name HN    )(resid  20 and name HB2   )  0.00  0.00  3.02
assign (resid  20 and name HN    )(resid  20 and name HB1   )  0.00  0.00  3.02
assign (resid  20 and name HN    )(resid  20 and name HB*   )  0.00  0.00  2.78
assign (resid  21 and name HN    )(resid  21 and name HB*   )  0.00  0.00  3.53
assign (resid  21 and name HN    )(resid  21 and name HG2   )  0.00  0.00  4.66
assign (resid  21 and name HN    )(resid  21 and name HG1   )  0.00  0.00  4.66
assign (resid  21 and name HN    )(resid  21 and name HG*   )  0.00  0.00  4.42
assign (resid  21 and name HA    )(resid  21 and name HB2   )  0.00  0.00  3.02
assign (resid  21 and name HA    )(resid  21 and name HB1   )  0.00  0.00  3.02
assign (resid  21 and name HA    )(resid  21 and name HG2   )  0.00  0.00  4.01
assign (resid  21 and name HA    )(resid  21 and name HG1   )  0.00  0.00  4.01
assign (resid  21 and name HA    )(resid  21 and name HG*   )  0.00  0.00  3.73
assign (resid  21 and name HB2   )(resid  21 and name HE21  )  0.00  0.00  7.25
assign (resid  21 and name HB2   )(resid  21 and name HE22  )  0.00  0.00  7.25
assign (resid  21 and name HB1   )(resid  21 and name HE21  )  0.00  0.00  7.25
assign (resid  21 and name HB1   )(resid  21 and name HE22  )  0.00  0.00  7.25
assign (resid  21 and name HB*   )(resid  21 and name HG*   )  0.00  0.00  2.48
assign (resid  22 and name HN    )(resid  22 and name HB*   )  0.00  0.00  3.37
assign (resid  22 and name HA    )(resid  22 and name HB*   )  0.00  0.00  2.65
assign (resid  23 and name HN    )(resid  23 and name HB2   )  0.00  0.00  2.90
assign (resid  23 and name HN    )(resid  23 and name HB1   )  0.00  0.00  2.90
assign (resid  23 and name HN    )(resid  23 and name HB*   )  0.00  0.00  2.60
assign (resid  23 and name HA    )(resid  23 and name HB2   )  0.00  0.00  2.87
assign (resid  23 and name HA    )(resid  23 and name HB1   )  0.00  0.00  2.87
assign (resid  23 and name HA    )(resid  23 and name HB*   )  0.00  0.00  2.58
assign (resid  24 and name HN    )(resid  24 and name HA    )  0.00  0.00  2.77
assign (resid  24 and name HN    )(resid  24 and name HB2   )  0.00  0.00  2.77
assign (resid  24 and name HN    )(resid  24 and name HB1   )  0.00  0.00  2.77
assign (resid  24 and name HA    )(resid  24 and name HB2   )  0.00  0.00  3.02
assign (resid  24 and name HA    )(resid  24 and name HB1   )  0.00  0.00  3.02
assign (resid  25 and name HN    )(resid  25 and name HB*   )  0.00  0.00  3.38
assign (resid  25 and name HN    )(resid  25 and name HG2   )  0.00  0.00  4.91
assign (resid  25 and name HN    )(resid  25 and name HG1   )  0.00  0.00  4.91
assign (resid  25 and name HN    )(resid  25 and name HG*   )  0.00  0.00  4.31
assign (resid  25 and name HN    )(resid  25 and name HD2   )  0.00  0.00  5.50
assign (resid  25 and name HN    )(resid  25 and name HD1   )  0.00  0.00  5.50
assign (resid  25 and name HA    )(resid  25 and name HE*   )  0.00  0.00  6.38
assign (resid  25 and name HB*   )(resid  25 and name HE*   )  0.00  0.00  5.95
assign (resid  25 and name HB*   )(resid  25 and name HZ1   )  0.00  0.00  6.38
assign (resid  25 and name HG2   )(resid  25 and name HZ1   )  0.00  0.00  5.50
assign (resid  25 and name HG1   )(resid  25 and name HZ1   )  0.00  0.00  5.50
assign (resid  26 and name HN    )(resid  26 and name HB2   )  0.00  0.00  3.08
assign (resid  26 and name HN    )(resid  26 and name HB1   )  0.00  0.00  3.08
assign (resid  26 and name HN    )(resid  26 and name HB*   )  0.00  0.00  2.80
assign (resid  26 and name HN    )(resid  26 and name HD2*  )  0.00  0.00  6.37
assign (resid  26 and name HA    )(resid  26 and name HB2   )  0.00  0.00  3.02
assign (resid  26 and name HA    )(resid  26 and name HB1   )  0.00  0.00  3.02
assign (resid  28 and name HN    )(resid  28 and name HA1   )  0.00  0.00  2.87
assign (resid  28 and name HN    )(resid  28 and name HA2   )  0.00  0.00  2.87
assign (resid  28 and name HN    )(resid  28 and name HA*   )  0.00  0.00  2.63
assign (resid  29 and name HN    )(resid  29 and name HD2   )  0.00  0.00  4.23
assign (resid  29 and name HA    )(resid  29 and name HB2   )  0.00  0.00  3.02
assign (resid  29 and name HA    )(resid  29 and name HB1   )  0.00  0.00  3.02
assign (resid  30 and name HN    )(resid  30 and name HB*   )  0.00  0.00  3.40
assign (resid  33 and name HN    )(resid  33 and name HB    )  0.00  0.00  3.58
assign (resid  33 and name HA    )(resid  33 and name HB    )  0.00  0.00  2.80
assign (resid  34 and name HN    )(resid  34 and name HB2   )  0.00  0.00  3.33
assign (resid  34 and name HN    )(resid  34 and name HB1   )  0.00  0.00  3.33
assign (resid  34 and name HN    )(resid  34 and name HB*   )  0.00  0.00  3.04
assign (resid  35 and name HN    )(resid  35 and name HB2   )  0.00  0.00  3.64
assign (resid  35 and name HN    )(resid  35 and name HB1   )  0.00  0.00  3.64
assign (resid  35 and name HN    )(resid  35 and name HB*   )  0.00  0.00  3.38
assign (resid  35 and name HN    )(resid  35 and name HG*   )  0.00  0.00  5.17
assign (resid  36 and name HN    )(resid  36 and name HA    )  0.00  0.00  2.90
assign (resid  36 and name HN    )(resid  36 and name HB2   )  0.00  0.00  3.36
assign (resid  36 and name HN    )(resid  36 and name HB1   )  0.00  0.00  3.36
assign (resid  36 and name HN    )(resid  36 and name HB*   )  0.00  0.00  2.92
assign (resid  36 and name HA    )(resid  36 and name HD1   )  0.00  0.00  4.04
assign (resid  36 and name HA    )(resid  36 and name HE1   )  0.00  0.00  5.50
assign (resid  36 and name HB2   )(resid  36 and name HD1   )  0.00  0.00  3.64
assign (resid  36 and name HB1   )(resid  36 and name HD1   )  0.00  0.00  3.64
assign (resid  36 and name HB*   )(resid  36 and name HD1   )  0.00  0.00  3.30
assign (resid  37 and name HN    )(resid  37 and name HA    )  0.00  0.00  2.80
assign (resid  37 and name HN    )(resid  37 and name HB*   )  0.00  0.00  3.89
assign (resid  37 and name HN    )(resid  37 and name HD1   )  0.00  0.00  5.50
assign (resid  37 and name HA    )(resid  37 and name HB2   )  0.00  0.00  3.02
assign (resid  37 and name HA    )(resid  37 and name HB1   )  0.00  0.00  3.02
assign (resid  37 and name HA    )(resid  37 and name HB*   )  0.00  0.00  2.66
assign (resid  37 and name HA    )(resid  37 and name HD1   )  0.00  0.00  3.45
assign (resid  37 and name HA    )(resid  37 and name HE1   )  0.00  0.00  5.50
assign (resid  37 and name HB2   )(resid  37 and name HE1   )  0.00  0.00  5.50
assign (resid  37 and name HB1   )(resid  37 and name HE1   )  0.00  0.00  5.50
assign (resid  38 and name HN    )(resid  38 and name HB*   )  0.00  0.00  3.48
assign (resid  38 and name HN    )(resid  38 and name HG2   )  0.00  0.00  4.66
assign (resid  38 and name HN    )(resid  38 and name HG1   )  0.00  0.00  4.66
assign (resid  38 and name HN    )(resid  38 and name HG*   )  0.00  0.00  4.06
assign (resid  38 and name HN    )(resid  38 and name HD2   )  0.00  0.00  5.50
assign (resid  38 and name HN    )(resid  38 and name HD1   )  0.00  0.00  5.50
assign (resid  38 and name HN    )(resid  38 and name HE*   )  0.00  0.00  6.38
assign (resid  38 and name HA    )(resid  38 and name HD*   )  0.00  0.00  6.38
assign (resid  38 and name HA    )(resid  38 and name HE*   )  0.00  0.00  6.38
assign (resid  38 and name HB*   )(resid  38 and name HE*   )  0.00  0.00  7.25
assign (resid  39 and name HN    )(resid  39 and name HB2   )  0.00  0.00  3.14
assign (resid  39 and name HN    )(resid  39 and name HB1   )  0.00  0.00  3.14
assign (resid  39 and name HN    )(resid  39 and name HB*   )  0.00  0.00  2.89
assign (resid  40 and name HN    )(resid  40 and name HB2   )  0.00  0.00  3.24
assign (resid  40 and name HN    )(resid  40 and name HB1   )  0.00  0.00  3.24
assign (resid  40 and name HN    )(resid  40 and name HB*   )  0.00  0.00  2.90
assign (resid  40 and name HN    )(resid  40 and name HG2   )  0.00  0.00  5.50
assign (resid  40 and name HN    )(resid  40 and name HG1   )  0.00  0.00  5.50
assign (resid  40 and name HN    )(resid  40 and name HG*   )  0.00  0.00  5.14
assign (resid  40 and name HN    )(resid  40 and name HD*   )  0.00  0.00  6.38
assign (resid  40 and name HA    )(resid  40 and name HD*   )  0.00  0.00  4.64
assign (resid  41 and name HN    )(resid  41 and name HB2   )  0.00  0.00  3.39
assign (resid  41 and name HN    )(resid  41 and name HB1   )  0.00  0.00  3.39
assign (resid  41 and name HN    )(resid  41 and name HB*   )  0.00  0.00  3.03
! total in this range:    207
! range |i-j| =     1
assign (resid   1 and name HB*   )(resid   2 and name HN    )  0.00  0.00  4.21
assign (resid   2 and name HN    )(resid   3 and name HN    )  0.00  0.00  3.61
assign (resid   2 and name HA    )(resid   3 and name HN    )  0.00  0.00  2.87
assign (resid   2 and name HB2   )(resid   3 and name HN    )  0.00  0.00  4.38
assign (resid   2 and name HB1   )(resid   3 and name HN    )  0.00  0.00  4.38
assign (resid   2 and name HB*   )(resid   3 and name HN    )  0.00  0.00  4.23
assign (resid   2 and name HG2   )(resid   3 and name HN    )  0.00  0.00  5.50
assign (resid   2 and name HG1   )(resid   3 and name HN    )  0.00  0.00  5.50
assign (resid   2 and name HD*   )(resid   3 and name HN    )  0.00  0.00  6.38
assign (resid   3 and name HN    )(resid   4 and name HN    )  0.00  0.00  3.58
assign (resid   3 and name HB2   )(resid   4 and name HN    )  0.00  0.00  3.73
assign (resid   3 and name HB1   )(resid   4 and name HN    )  0.00  0.00  3.73
assign (resid   4 and name HN    )(resid   5 and name HN    )  0.00  0.00  3.58
assign (resid   4 and name HA    )(resid   5 and name HN    )  0.00  0.00  3.24
assign (resid   4 and name HB*   )(resid   5 and name HN    )  0.00  0.00  4.39
assign (resid   5 and name HN    )(resid   6 and name HN    )  0.00  0.00  3.14
assign (resid   5 and name HA    )(resid   6 and name HN    )  0.00  0.00  3.64
assign (resid   5 and name HB*   )(resid   6 and name HN    )  0.00  0.00  4.24
assign (resid   6 and name HB    )(resid   7 and name HN    )  0.00  0.00  3.55
assign (resid   6 and name HG1*  )(resid   7 and name HN    )  0.00  0.00  6.53
assign (resid   6 and name HG2*  )(resid   7 and name HN    )  0.00  0.00  6.53
assign (resid   6 and name HG*   )(resid   7 and name HN    )  0.00  0.00  5.70
assign (resid   7 and name HB*   )(resid   8 and name HN    )  0.00  0.00  4.49
assign (resid   8 and name HE*   )(resid   9 and name HN    )  0.00  0.00  6.38
assign (resid   9 and name HN    )(resid  10 and name HN    )  0.00  0.00  5.50
assign (resid   9 and name HA    )(resid  10 and name HN    )  0.00  0.00  3.36
assign (resid   9 and name HB2   )(resid  10 and name HN    )  0.00  0.00  5.00
assign (resid   9 and name HB1   )(resid  10 and name HN    )  0.00  0.00  5.00
assign (resid  10 and name HA    )(resid  11 and name HN    )  0.00  0.00  2.77
assign (resid  10 and name HB*   )(resid  11 and name HN    )  0.00  0.00  3.52
assign (resid  10 and name HG*   )(resid  11 and name HN    )  0.00  0.00  6.38
assign (resid  10 and name HD*   )(resid  11 and name HN    )  0.00  0.00  6.38
assign (resid  11 and name HN    )(resid  12 and name HN    )  0.00  0.00  5.50
assign (resid  11 and name HA    )(resid  12 and name HN    )  0.00  0.00  3.21
assign (resid  11 and name HA    )(resid  12 and name HB*   )  0.00  0.00  6.50
assign (resid  11 and name HB2   )(resid  12 and name HN    )  0.00  0.00  5.50
assign (resid  11 and name HB1   )(resid  12 and name HN    )  0.00  0.00  5.50
assign (resid  11 and name HB*   )(resid  12 and name HN    )  0.00  0.00  4.67
assign (resid  12 and name HN    )(resid  13 and name HN    )  0.00  0.00  5.50
assign (resid  12 and name HA    )(resid  13 and name HN    )  0.00  0.00  2.83
assign (resid  12 and name HB*   )(resid  13 and name HN    )  0.00  0.00  3.99
assign (resid  13 and name HN    )(resid  14 and name HN    )  0.00  0.00  3.42
assign (resid  13 and name HB*   )(resid  14 and name HN    )  0.00  0.00  4.36
assign (resid  13 and name HB*   )(resid  14 and name HD1   )  0.00  0.00  6.22
assign (resid  13 and name HG*   )(resid  14 and name HD1   )  0.00  0.00  4.64
assign (resid  13 and name HD*   )(resid  14 and name HD1   )  0.00  0.00  5.60
assign (resid  13 and name HD*   )(resid  14 and name HE1   )  0.00  0.00  5.20
assign (resid  13 and name HE*   )(resid  14 and name HE1   )  0.00  0.00  4.98
assign (resid  14 and name HN    )(resid  15 and name HN    )  0.00  0.00  5.50
assign (resid  14 and name HB2   )(resid  15 and name HN    )  0.00  0.00  3.52
assign (resid  14 and name HB1   )(resid  15 and name HN    )  0.00  0.00  3.52
assign (resid  14 and name HB*   )(resid  15 and name HN    )  0.00  0.00  3.20
assign (resid  14 and name HD1   )(resid  15 and name HN    )  0.00  0.00  4.72
assign (resid  14 and name HD1   )(resid  15 and name HA*   )  0.00  0.00  6.38
assign (resid  15 and name HN    )(resid  16 and name HN    )  0.00  0.00  5.50
assign (resid  15 and name HA1   )(resid  16 and name HN    )  0.00  0.00  3.11
assign (resid  15 and name HA2   )(resid  16 and name HN    )  0.00  0.00  3.11
assign (resid  15 and name HA*   )(resid  16 and name HN    )  0.00  0.00  2.86
assign (resid  16 and name HA    )(resid  17 and name HN    )  0.00  0.00  2.56
assign (resid  16 and name HB*   )(resid  17 and name HN    )  0.00  0.00  4.24
assign (resid  16 and name HD1   )(resid  17 and name HN    )  0.00  0.00  3.86
assign (resid  16 and name HE1   )(resid  17 and name HA    )  0.00  0.00  5.50
assign (resid  17 and name HA    )(resid  18 and name HN    )  0.00  0.00  2.80
assign (resid  17 and name HA    )(resid  18 and name HB*   )  0.00  0.00  4.92
assign (resid  17 and name HB2   )(resid  18 and name HN    )  0.00  0.00  5.41
assign (resid  17 and name HB1   )(resid  18 and name HN    )  0.00  0.00  5.41
assign (resid  18 and name HN    )(resid  19 and name HN    )  0.00  0.00  3.95
assign (resid  18 and name HB2   )(resid  19 and name HN    )  0.00  0.00  3.73
assign (resid  18 and name HB1   )(resid  19 and name HN    )  0.00  0.00  3.73
assign (resid  18 and name HB*   )(resid  19 and name HN    )  0.00  0.00  3.35
assign (resid  19 and name HN    )(resid  20 and name HN    )  0.00  0.00  3.58
assign (resid  19 and name HB*   )(resid  20 and name HN    )  0.00  0.00  4.55
assign (resid  20 and name HN    )(resid  21 and name HN    )  0.00  0.00  3.14
assign (resid  20 and name HB2   )(resid  21 and name HN    )  0.00  0.00  3.55
assign (resid  20 and name HB1   )(resid  21 and name HN    )  0.00  0.00  3.55
assign (resid  21 and name HN    )(resid  22 and name HN    )  0.00  0.00  3.21
assign (resid  21 and name HB*   )(resid  22 and name HN    )  0.00  0.00  4.24
assign (resid  21 and name HG*   )(resid  22 and name HA    )  0.00  0.00  6.07
assign (resid  22 and name HN    )(resid  23 and name HN    )  0.00  0.00  2.74
assign (resid  22 and name HB*   )(resid  23 and name HN    )  0.00  0.00  3.90
assign (resid  22 and name HB*   )(resid  23 and name HA    )  0.00  0.00  5.04
assign (resid  23 and name HN    )(resid  24 and name HN    )  0.00  0.00  2.96
assign (resid  23 and name HN    )(resid  24 and name HB*   )  0.00  0.00  5.04
assign (resid  23 and name HB2   )(resid  24 and name HN    )  0.00  0.00  3.24
assign (resid  23 and name HB1   )(resid  24 and name HN    )  0.00  0.00  3.24
assign (resid  23 and name HB*   )(resid  24 and name HN    )  0.00  0.00  3.05
assign (resid  25 and name HN    )(resid  26 and name HN    )  0.00  0.00  3.08
assign (resid  25 and name HB*   )(resid  26 and name HN    )  0.00  0.00  3.74
assign (resid  26 and name HN    )(resid  27 and name HN    )  0.00  0.00  2.96
assign (resid  26 and name HN    )(resid  27 and name HB*   )  0.00  0.00  6.53
assign (resid  26 and name HB2   )(resid  27 and name HN    )  0.00  0.00  3.58
assign (resid  26 and name HB1   )(resid  27 and name HN    )  0.00  0.00  3.58
assign (resid  26 and name HB*   )(resid  27 and name HN    )  0.00  0.00  3.34
assign (resid  27 and name HN    )(resid  28 and name HN    )  0.00  0.00  3.11
assign (resid  28 and name HN    )(resid  29 and name HN    )  0.00  0.00  2.83
assign (resid  29 and name HN    )(resid  30 and name HN    )  0.00  0.00  4.14
assign (resid  29 and name HA    )(resid  30 and name HN    )  0.00  0.00  3.02
assign (resid  29 and name HB*   )(resid  30 and name HN    )  0.00  0.00  3.71
assign (resid  30 and name HN    )(resid  31 and name HN    )  0.00  0.00  3.08
assign (resid  30 and name HB*   )(resid  31 and name HN    )  0.00  0.00  3.77
assign (resid  31 and name HN    )(resid  32 and name HN    )  0.00  0.00  4.26
assign (resid  31 and name HA1   )(resid  32 and name HN    )  0.00  0.00  2.90
assign (resid  31 and name HA2   )(resid  32 and name HN    )  0.00  0.00  2.90
assign (resid  31 and name HA*   )(resid  32 and name HN    )  0.00  0.00  2.70
assign (resid  33 and name HA    )(resid  34 and name HN    )  0.00  0.00  2.83
assign (resid  33 and name HA    )(resid  34 and name HB*   )  0.00  0.00  4.89
assign (resid  33 and name HB    )(resid  34 and name HN    )  0.00  0.00  3.98
assign (resid  33 and name HG2*  )(resid  34 and name HN    )  0.00  0.00  5.23
assign (resid  34 and name HA    )(resid  35 and name HN    )  0.00  0.00  2.65
assign (resid  34 and name HA    )(resid  35 and name HB*   )  0.00  0.00  5.79
assign (resid  34 and name HB*   )(resid  35 and name HN    )  0.00  0.00  4.61
assign (resid  36 and name HN    )(resid  37 and name HN    )  0.00  0.00  3.64
assign (resid  36 and name HN    )(resid  37 and name HD1   )  0.00  0.00  5.50
assign (resid  36 and name HA    )(resid  37 and name HN    )  0.00  0.00  2.87
assign (resid  36 and name HA    )(resid  37 and name HD1   )  0.00  0.00  5.50
assign (resid  37 and name HN    )(resid  38 and name HN    )  0.00  0.00  3.61
assign (resid  37 and name HB2   )(resid  38 and name HN    )  0.00  0.00  5.47
assign (resid  37 and name HB1   )(resid  38 and name HN    )  0.00  0.00  5.47
assign (resid  38 and name HB*   )(resid  39 and name HN    )  0.00  0.00  5.45
assign (resid  38 and name HG*   )(resid  39 and name HN    )  0.00  0.00  5.45
assign (resid  39 and name HA    )(resid  40 and name HN    )  0.00  0.00  3.64
assign (resid  39 and name HB*   )(resid  40 and name HN    )  0.00  0.00  5.60
assign (resid  40 and name HA    )(resid  41 and name HN    )  0.00  0.00  2.62
assign (resid  40 and name HB2   )(resid  41 and name HN    )  0.00  0.00  4.01
assign (resid  40 and name HB1   )(resid  41 and name HN    )  0.00  0.00  4.01
assign (resid  40 and name HB*   )(resid  41 and name HN    )  0.00  0.00  3.74
assign (resid  40 and name HG2   )(resid  41 and name HN    )  0.00  0.00  5.50
assign (resid  40 and name HG1   )(resid  41 and name HN    )  0.00  0.00  5.50
assign (resid  40 and name HD*   )(resid  41 and name HN    )  0.00  0.00  6.38
assign (resid  41 and name HA    )(resid  42 and name HN    )  0.00  0.00  2.74
assign (resid  41 and name HA    )(resid  42 and name HB*   )  0.00  0.00  6.43
assign (resid  41 and name HB2   )(resid  42 and name HN    )  0.00  0.00  3.33
assign (resid  41 and name HB1   )(resid  42 and name HN    )  0.00  0.00  3.33
assign (resid  41 and name HB*   )(resid  42 and name HN    )  0.00  0.00  3.10
! total in this range:    134
! range |i-j| =     2
assign (resid   4 and name HB*   )(resid   6 and name HN    )  0.00  0.00  5.01
assign (resid  12 and name HB*   )(resid  14 and name HN    )  0.00  0.00  5.04
assign (resid  16 and name HD1   )(resid  18 and name HN    )  0.00  0.00  4.88
assign (resid  16 and name HE1   )(resid  18 and name HN    )  0.00  0.00  4.60
assign (resid  16 and name HE1   )(resid  18 and name HA    )  0.00  0.00  3.80
assign (resid  16 and name HE1   )(resid  18 and name HB2   )  0.00  0.00  4.97
assign (resid  16 and name HE1   )(resid  18 and name HB1   )  0.00  0.00  4.97
assign (resid  16 and name HE1   )(resid  18 and name HB*   )  0.00  0.00  4.30
assign (resid  17 and name HD1   )(resid  19 and name HB*   )  0.00  0.00  3.71
assign (resid  17 and name HE1   )(resid  19 and name HN    )  0.00  0.00  5.50
assign (resid  17 and name HE1   )(resid  19 and name HB*   )  0.00  0.00  3.52
assign (resid  21 and name HN    )(resid  23 and name HN    )  0.00  0.00  4.41
assign (resid  21 and name HG*   )(resid  23 and name HN    )  0.00  0.00  6.38
assign (resid  21 and name HE2*  )(resid  23 and name HN    )  0.00  0.00  6.37
assign (resid  23 and name HA    )(resid  25 and name HZ1   )  0.00  0.00  5.50
assign (resid  25 and name HN    )(resid  27 and name HN    )  0.00  0.00  4.07
assign (resid  26 and name HN    )(resid  28 and name HN    )  0.00  0.00  5.00
assign (resid  27 and name HN    )(resid  29 and name HN    )  0.00  0.00  3.76
assign (resid  27 and name HB*   )(resid  29 and name HN    )  0.00  0.00  5.69
assign (resid  27 and name HB*   )(resid  29 and name HD2   )  0.00  0.00  4.11
assign (resid  27 and name HB*   )(resid  29 and name HE1   )  0.00  0.00  6.53
assign (resid  33 and name HG2*  )(resid  35 and name HG*   )  0.00  0.00  5.88
! total in this range:     22
! range |i-j| =     3
assign (resid   5 and name HA    )(resid   8 and name HN    )  0.00  0.00  3.33
assign (resid   5 and name HA    )(resid   8 and name HB*   )  0.00  0.00  4.02
assign (resid  17 and name HB*   )(resid  20 and name HB*   )  0.00  0.00  7.16
assign (resid  17 and name HD1   )(resid  20 and name HB*   )  0.00  0.00  4.58
assign (resid  18 and name HA    )(resid  21 and name HB*   )  0.00  0.00  3.68
assign (resid  19 and name HA    )(resid  22 and name HN    )  0.00  0.00  3.83
assign (resid  19 and name HA    )(resid  22 and name HB*   )  0.00  0.00  3.59
assign (resid  21 and name HA    )(resid  24 and name HN    )  0.00  0.00  4.14
assign (resid  21 and name HA    )(resid  24 and name HB2   )  0.00  0.00  3.89
assign (resid  21 and name HA    )(resid  24 and name HB1   )  0.00  0.00  3.89
assign (resid  21 and name HA    )(resid  24 and name HB*   )  0.00  0.00  3.50
assign (resid  22 and name HA    )(resid  25 and name HB*   )  0.00  0.00  4.05
assign (resid  23 and name HA    )(resid  26 and name HB*   )  0.00  0.00  3.90
assign (resid  24 and name HA    )(resid  27 and name HN    )  0.00  0.00  3.55
assign (resid  24 and name HA    )(resid  27 and name HB*   )  0.00  0.00  4.05
assign (resid  25 and name HB*   )(resid  28 and name HN    )  0.00  0.00  6.38
assign (resid  35 and name HN    )(resid  38 and name HN    )  0.00  0.00  3.27
! hydrogen bond
assign (resid  38 and name HN    )(resid  35 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  38 and name N     )(resid  35 and name O     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  35 and name HN    )(resid  38 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  35 and name N     )(resid  38 and name O     )  3.20  0.30  0.00
! total in this range:     21
! range |i-j| =     4
assign (resid  18 and name HA    )(resid  22 and name HN    )  0.00  0.00  4.51
assign (resid  19 and name HA    )(resid  23 and name HN    )  0.00  0.00  4.60
assign (resid  19 and name HG*   )(resid  23 and name HN    )  0.00  0.00  6.38
assign (resid  21 and name HE21  )(resid  25 and name HD2   )  0.00  0.00  7.25
assign (resid  21 and name HE21  )(resid  25 and name HD1   )  0.00  0.00  7.25
assign (resid  21 and name HE21  )(resid  25 and name HE2   )  0.00  0.00  7.25
assign (resid  21 and name HE21  )(resid  25 and name HE1   )  0.00  0.00  7.25
assign (resid  21 and name HE22  )(resid  25 and name HD2   )  0.00  0.00  7.25
assign (resid  21 and name HE22  )(resid  25 and name HD1   )  0.00  0.00  7.25
assign (resid  21 and name HE22  )(resid  25 and name HE2   )  0.00  0.00  7.25
assign (resid  21 and name HE22  )(resid  25 and name HE1   )  0.00  0.00  7.25
assign (resid  21 and name HE2*  )(resid  25 and name HD*   )  0.00  0.00  5.95
assign (resid  21 and name HE2*  )(resid  25 and name HE*   )  0.00  0.00  5.97
assign (resid  22 and name HB2   )(resid  26 and name HD21  )  0.00  0.00  7.25
assign (resid  22 and name HB2   )(resid  26 and name HD22  )  0.00  0.00  7.25
assign (resid  22 and name HB1   )(resid  26 and name HD21  )  0.00  0.00  7.25
assign (resid  22 and name HB1   )(resid  26 and name HD22  )  0.00  0.00  7.25
assign (resid  22 and name HB*   )(resid  26 and name HD2*  )  0.00  0.00  6.09
assign (resid  35 and name HB*   )(resid  39 and name HN    )  0.00  0.00  5.63
! hydrogen bond
assign (resid  28 and name HN    )(resid  24 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  28 and name N     )(resid  24 and name O     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  27 and name HN    )(resid  23 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  27 and name N     )(resid  23 and name O     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  26 and name HN    )(resid  22 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  26 and name N     )(resid  22 and name O     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  25 and name HN    )(resid  21 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  25 and name N     )(resid  21 and name O     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  24 and name HN    )(resid  20 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  24 and name N     )(resid  20 and name O     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  23 and name HN    )(resid  19 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  23 and name N     )(resid  19 and name O     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  22 and name HN    )(resid  18 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  22 and name N     )(resid  18 and name O     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  21 and name HN    )(resid  17 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  21 and name N     )(resid  17 and name O     )  3.20  0.30  0.00
! total in this range:     35
! range |i-j| =     5
assign (resid  12 and name HN    )(resid  17 and name HB*   )  0.00  0.00  5.73
assign (resid  12 and name HB*   )(resid  17 and name HB2   )  0.00  0.00  4.82
assign (resid  12 and name HB*   )(resid  17 and name HB1   )  0.00  0.00  4.82
assign (resid  12 and name HB*   )(resid  17 and name HE1   )  0.00  0.00  5.47
assign (resid  16 and name HE1   )(resid  21 and name HB*   )  0.00  0.00  4.36
assign (resid  16 and name HE1   )(resid  21 and name HG2   )  0.00  0.00  4.01
assign (resid  16 and name HE1   )(resid  21 and name HG1   )  0.00  0.00  4.01
assign (resid  16 and name HE1   )(resid  21 and name HG*   )  0.00  0.00  3.60
assign (resid  16 and name HE1   )(resid  21 and name HE2*  )  0.00  0.00  5.72
assign (resid  25 and name HN    )(resid  30 and name HN    )  0.00  0.00  5.25
assign (resid  34 and name HA    )(resid  39 and name HA    )  0.00  0.00  4.23
assign (resid  35 and name HN    )(resid  40 and name HN    )  0.00  0.00  4.45
assign (resid  35 and name HN    )(resid  40 and name HB*   )  0.00  0.00  6.38
assign (resid  35 and name HG2   )(resid  40 and name HB2   )  0.00  0.00  6.32
assign (resid  35 and name HG2   )(resid  40 and name HB1   )  0.00  0.00  6.32
assign (resid  35 and name HG1   )(resid  40 and name HB2   )  0.00  0.00  6.32
assign (resid  35 and name HG1   )(resid  40 and name HB1   )  0.00  0.00  6.32
assign (resid  35 and name HG*   )(resid  40 and name HB*   )  0.00  0.00  5.33
! total in this range:     18
! range |i-j| =     6
assign (resid  11 and name HN    )(resid  17 and name HE1   )  0.00  0.00  5.50
assign (resid  11 and name HA    )(resid  17 and name HD1   )  0.00  0.00  3.45
assign (resid  11 and name HB2   )(resid  17 and name HB2   )  0.00  0.00  6.45
assign (resid  11 and name HB2   )(resid  17 and name HB1   )  0.00  0.00  6.45
assign (resid  11 and name HB1   )(resid  17 and name HB2   )  0.00  0.00  6.45
assign (resid  11 and name HB1   )(resid  17 and name HB1   )  0.00  0.00  6.45
assign (resid  11 and name HB*   )(resid  17 and name HB*   )  0.00  0.00  4.90
assign (resid  25 and name HG2   )(resid  31 and name HA1   )  0.00  0.00  7.25
assign (resid  25 and name HG2   )(resid  31 and name HA2   )  0.00  0.00  7.25
assign (resid  25 and name HG1   )(resid  31 and name HA1   )  0.00  0.00  7.25
assign (resid  25 and name HG1   )(resid  31 and name HA2   )  0.00  0.00  7.25
assign (resid  25 and name HG*   )(resid  31 and name HA*   )  0.00  0.00  5.95
assign (resid  34 and name HA    )(resid  40 and name HN    )  0.00  0.00  3.64
assign (resid  34 and name HB*   )(resid  40 and name HN    )  0.00  0.00  6.38
! total in this range:     14
! range |i-j| =     7
assign (resid  10 and name HB*   )(resid  17 and name HD1   )  0.00  0.00  5.94
assign (resid  10 and name HB*   )(resid  17 and name HE1   )  0.00  0.00  3.71
assign (resid  24 and name HB2   )(resid  31 and name HN    )  0.00  0.00  5.44
assign (resid  24 and name HB1   )(resid  31 and name HN    )  0.00  0.00  5.44
assign (resid  24 and name HB*   )(resid  31 and name HN    )  0.00  0.00  4.99
assign (resid  24 and name HB*   )(resid  31 and name HA*   )  0.00  0.00  5.92
assign (resid  33 and name HN    )(resid  40 and name HN    )  0.00  0.00  3.64
assign (resid  33 and name HN    )(resid  40 and name HB2   )  0.00  0.00  5.50
assign (resid  33 and name HN    )(resid  40 and name HB1   )  0.00  0.00  5.50
assign (resid  33 and name HN    )(resid  40 and name HB*   )  0.00  0.00  5.02
assign (resid  33 and name HB    )(resid  40 and name HB*   )  0.00  0.00  5.45
assign (resid  33 and name HG2*  )(resid  40 and name HN    )  0.00  0.00  6.53
! hydrogen bond
assign (resid  40 and name HN    )(resid  33 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  40 and name N     )(resid  33 and name O     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  33 and name HN    )(resid  40 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  33 and name N     )(resid  40 and name O     )  3.20  0.30  0.00
! total in this range:     16
! range |i-j| =     8
assign (resid  33 and name HN    )(resid  41 and name HA    )  0.00  0.00  4.51
! total in this range:      1
! range |i-j| =     9
assign (resid  10 and name HN    )(resid  19 and name HB*   )  0.00  0.00  6.38
assign (resid  10 and name HN    )(resid  19 and name HG*   )  0.00  0.00  6.38
assign (resid  32 and name HA*   )(resid  41 and name HA    )  0.00  0.00  3.90
! total in this range:      3
! range |i-j| =    10
assign (resid  21 and name HB*   )(resid  31 and name HA*   )  0.00  0.00  7.25
assign (resid  21 and name HE21  )(resid  31 and name HA1   )  0.00  0.00  6.15
assign (resid  21 and name HE21  )(resid  31 and name HA2   )  0.00  0.00  6.15
assign (resid  21 and name HE22  )(resid  31 and name HA1   )  0.00  0.00  6.15
assign (resid  21 and name HE22  )(resid  31 and name HA2   )  0.00  0.00  6.15
assign (resid  21 and name HE2*  )(resid  31 and name HA*   )  0.00  0.00  5.09
! total in this range:      6
! range |i-j| =    11
assign (resid  21 and name HA    )(resid  32 and name HN    )  0.00  0.00  2.99
assign (resid  30 and name HN    )(resid  41 and name HB*   )  0.00  0.00  6.38
assign (resid  31 and name HN    )(resid  42 and name HN    )  0.00  0.00  3.67
assign (resid  31 and name HN    )(resid  42 and name HB*   )  0.00  0.00  5.97
! hydrogen bond
assign (resid  42 and name HN    )(resid  31 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  42 and name N     )(resid  31 and name O     )  3.20  0.30  0.00
! total in this range:      6
! range |i-j| =    12
assign (resid  29 and name HB2   )(resid  41 and name HB2   )  0.00  0.00  6.17
assign (resid  29 and name HB2   )(resid  41 and name HB1   )  0.00  0.00  6.17
assign (resid  29 and name HB1   )(resid  41 and name HB2   )  0.00  0.00  6.17
assign (resid  29 and name HB1   )(resid  41 and name HB1   )  0.00  0.00  6.17
assign (resid  29 and name HB*   )(resid  41 and name HB*   )  0.00  0.00  4.58
assign (resid  29 and name HD2   )(resid  41 and name HB2   )  0.00  0.00  4.88
assign (resid  29 and name HD2   )(resid  41 and name HB1   )  0.00  0.00  4.88
assign (resid  29 and name HD2   )(resid  41 and name HB*   )  0.00  0.00  4.30
assign (resid  30 and name HN    )(resid  42 and name HB*   )  0.00  0.00  5.91
assign (resid  30 and name HB*   )(resid  42 and name HB*   )  0.00  0.00  5.92
assign (resid  30 and name HD2*  )(resid  42 and name HB*   )  0.00  0.00  7.39
! total in this range:     11
! range |i-j| =    13
assign (resid  29 and name HB*   )(resid  42 and name HN    )  0.00  0.00  5.38
assign (resid  29 and name HB*   )(resid  42 and name HB*   )  0.00  0.00  7.31
assign (resid  29 and name HD2   )(resid  42 and name HN    )  0.00  0.00  5.50
! total in this range:      3
! range |i-j| =    14
assign (resid   9 and name HB2   )(resid  23 and name HB2   )  0.00  0.00  7.19
assign (resid   9 and name HB2   )(resid  23 and name HB1   )  0.00  0.00  7.19
assign (resid   9 and name HB1   )(resid  23 and name HB2   )  0.00  0.00  7.19
assign (resid   9 and name HB1   )(resid  23 and name HB1   )  0.00  0.00  7.19
assign (resid   9 and name HB*   )(resid  23 and name HB*   )  0.00  0.00  6.07
! total in this range:      5
! range |i-j| =    17
assign (resid  24 and name HA    )(resid  41 and name HB*   )  0.00  0.00  6.10
! total in this range:      1
! range |i-j| =    18
assign (resid   5 and name HB2   )(resid  23 and name HB2   )  0.00  0.00  6.94
assign (resid   5 and name HB2   )(resid  23 and name HB1   )  0.00  0.00  6.94
assign (resid   5 and name HB1   )(resid  23 and name HB2   )  0.00  0.00  6.94
assign (resid   5 and name HB1   )(resid  23 and name HB1   )  0.00  0.00  6.94
assign (resid   5 and name HB*   )(resid  23 and name HB*   )  0.00  0.00  5.22
assign (resid  15 and name HN    )(resid  33 and name HG2*  )  0.00  0.00  6.53
assign (resid  15 and name HA*   )(resid  33 and name HG2*  )  0.00  0.00  6.97
! total in this range:      7
! range |i-j| =    19
assign (resid  15 and name HN    )(resid  34 and name HN    )  0.00  0.00  3.64
assign (resid  15 and name HN    )(resid  34 and name HB2   )  0.00  0.00  5.07
assign (resid  15 and name HN    )(resid  34 and name HB1   )  0.00  0.00  5.07
assign (resid  15 and name HN    )(resid  34 and name HB*   )  0.00  0.00  4.47
assign (resid  15 and name HA*   )(resid  34 and name HN    )  0.00  0.00  4.86
assign (resid  20 and name HB*   )(resid  39 and name HB*   )  0.00  0.00  6.26
! hydrogen bond
assign (resid  34 and name HN    )(resid  15 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  34 and name N     )(resid  15 and name O     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  15 and name HN    )(resid  34 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  15 and name N     )(resid  34 and name O     )  3.20  0.30  0.00
! total in this range:     10
! range |i-j| =    22
assign (resid  12 and name HN    )(resid  34 and name HB*   )  0.00  0.00  6.25
assign (resid  12 and name HB*   )(resid  34 and name HB*   )  0.00  0.00  6.32
! total in this range:      2
! range |i-j| =    23
assign (resid  11 and name HB2   )(resid  34 and name HA    )  0.00  0.00  5.50
assign (resid  11 and name HB2   )(resid  34 and name HB2   )  0.00  0.00  5.95
assign (resid  11 and name HB2   )(resid  34 and name HB1   )  0.00  0.00  5.95
assign (resid  11 and name HB1   )(resid  34 and name HA    )  0.00  0.00  5.50
assign (resid  11 and name HB1   )(resid  34 and name HB2   )  0.00  0.00  5.95
assign (resid  11 and name HB1   )(resid  34 and name HB1   )  0.00  0.00  5.95
assign (resid  11 and name HB*   )(resid  34 and name HB*   )  0.00  0.00  4.59
assign (resid  13 and name HG2   )(resid  36 and name HA    )  0.00  0.00  4.63
assign (resid  13 and name HG2   )(resid  36 and name HD1   )  0.00  0.00  5.50
assign (resid  13 and name HG1   )(resid  36 and name HA    )  0.00  0.00  4.63
assign (resid  13 and name HG1   )(resid  36 and name HD1   )  0.00  0.00  5.50
! total in this range:     11
! range |i-j| =    24
assign (resid  13 and name HN    )(resid  37 and name HD1   )  0.00  0.00  5.50
assign (resid  13 and name HN    )(resid  37 and name HE1   )  0.00  0.00  4.57
assign (resid  13 and name HB2   )(resid  37 and name HE1   )  0.00  0.00  5.50
assign (resid  13 and name HB2   )(resid  37 and name HZ    )  0.00  0.00  5.50
assign (resid  13 and name HB1   )(resid  37 and name HE1   )  0.00  0.00  5.50
assign (resid  13 and name HB1   )(resid  37 and name HZ    )  0.00  0.00  5.50
assign (resid  13 and name HB*   )(resid  37 and name HE1   )  0.00  0.00  4.66
assign (resid  13 and name HB*   )(resid  37 and name HZ    )  0.00  0.00  4.67
assign (resid  13 and name HG*   )(resid  37 and name HN    )  0.00  0.00  6.38
assign (resid  13 and name HG*   )(resid  37 and name HE1   )  0.00  0.00  5.88
assign (resid  13 and name HG*   )(resid  37 and name HZ    )  0.00  0.00  6.38
assign (resid  13 and name HD*   )(resid  37 and name HE1   )  0.00  0.00  5.88
assign (resid  13 and name HD*   )(resid  37 and name HZ    )  0.00  0.00  5.79
assign (resid  13 and name HE*   )(resid  37 and name HE1   )  0.00  0.00  5.54
! total in this range:     14
! range |i-j| =    25
assign (resid  12 and name HA    )(resid  37 and name HD1   )  0.00  0.00  4.54
assign (resid  12 and name HA    )(resid  37 and name HE1   )  0.00  0.00  5.16
! hydrogen bond
assign (resid  37 and name HN    )(resid  12 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  37 and name N     )(resid  12 and name O     )  3.20  0.30  0.00
! total in this range:      4
! range |i-j| =    26
assign (resid  11 and name HB*   )(resid  37 and name HA    )  0.00  0.00  5.01
! total in this range:      1
! range |i-j| =    27
assign (resid  10 and name HG*   )(resid  37 and name HN    )  0.00  0.00  6.25
! total in this range:      1
! range |i-j| =    30
assign (resid   9 and name HB2   )(resid  39 and name HB2   )  0.00  0.00  5.89
assign (resid   9 and name HB2   )(resid  39 and name HB1   )  0.00  0.00  5.89
assign (resid   9 and name HB1   )(resid  39 and name HB2   )  0.00  0.00  5.89
assign (resid   9 and name HB1   )(resid  39 and name HB1   )  0.00  0.00  5.89
assign (resid   9 and name HB*   )(resid  39 and name HB*   )  0.00  0.00  4.80
! total in this range:      5
! range |i-j| =    32
assign (resid   6 and name HG*   )(resid  38 and name HB*   )  0.00  0.00  7.79
assign (resid   6 and name HG*   )(resid  38 and name HG*   )  0.00  0.00  7.79
! total in this range:      2
! range |i-j| =    33
assign (resid   6 and name HA    )(resid  39 and name HN    )  0.00  0.00  3.92
assign (resid   6 and name HA    )(resid  39 and name HB2   )  0.00  0.00  5.13
assign (resid   6 and name HA    )(resid  39 and name HB1   )  0.00  0.00  5.13
assign (resid   6 and name HA    )(resid  39 and name HB*   )  0.00  0.00  4.63
assign (resid   6 and name HG*   )(resid  39 and name HN    )  0.00  0.00  8.09
! total in this range:      5
! range |i-j| =    34
assign (resid   6 and name HN    )(resid  40 and name HA    )  0.00  0.00  5.07
! total in this range:      1
! range |i-j| =    35
assign (resid   6 and name HG*   )(resid  41 and name HN    )  0.00  0.00  8.09
! total in this range:      1
! total constraints:      567
set echo=true end
set wrnlev=5 end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ASP   1          1HT       ASP   1 -10.101  14.931  -2.311
    2   2H    ASP   1          2HT       ASP   1 -11.638  15.496  -2.827
    3   3H    ASP   1          3HT       ASP   1 -10.212  16.056  -3.600
    4    HA   ASP   1           HA       ASP   1 -11.062  13.244  -3.562
    5   1HB   ASP   1          2HB       ASP   1 -11.801  15.550  -5.313
    6   2HB   ASP   1          1HB       ASP   1 -11.574  13.973  -6.066
    7    H    ARG   2           H        ARG   2  -8.479  13.990  -2.992
    8    HA   ARG   2           HA       ARG   2  -7.092  12.995  -5.347
    9   1HB   ARG   2          2HB       ARG   2  -6.480  15.641  -4.041
   10   2HB   ARG   2          1HB       ARG   2  -5.288  14.768  -4.994
   11   1HG   ARG   2          2HG       ARG   2  -6.706  14.893  -6.948
   12   2HG   ARG   2          1HG       ARG   2  -7.976  15.673  -6.005
   13   1HD   ARG   2          2HD       ARG   2  -5.723  17.227  -5.542
   14   2HD   ARG   2          1HD       ARG   2  -5.623  16.814  -7.254
   15    HE   ARG   2           HE       ARG   2  -8.227  17.621  -6.790
   16   1HH1  ARG   2          1HH1      ARG   2  -5.038  19.020  -6.567
   17   2HH1  ARG   2          2HH1      ARG   2  -5.584  20.629  -6.899
   18   1HH2  ARG   2          1HH2      ARG   2  -8.948  19.736  -7.227
   19   2HH2  ARG   2          2HH2      ARG   2  -7.804  21.036  -7.274
   20    H    ASP   3           H        ASP   3  -7.616  11.559  -3.114
   21    HA   ASP   3           HA       ASP   3  -5.639  11.712  -1.097
   22   1HB   ASP   3          2HB       ASP   3  -7.939  10.173  -1.588
   23   2HB   ASP   3          1HB       ASP   3  -6.616   9.018  -1.470
   24    H    SER   4           H        SER   4  -6.010   8.998  -3.366
   25    HA   SER   4           HA       SER   4  -4.486   7.666  -4.403
   26   1HB   SER   4          2HB       SER   4  -3.919  10.189  -5.204
   27   2HB   SER   4          1HB       SER   4  -2.375   9.739  -4.479
   28    HG   SER   4           HG       SER   4  -3.080   9.163  -6.855
   29    H    CYS   5           H        CYS   5  -4.005   6.203  -2.812
   30    HA   CYS   5           HA       CYS   5  -2.307   6.709  -0.615
   31   1HB   CYS   5          2HB       CYS   5  -3.113   4.108  -1.927
   32   2HB   CYS   5          1HB       CYS   5  -2.239   4.217  -0.402
   33    H    VAL   6           H        VAL   6  -1.680   5.856  -3.913
   34    HA   VAL   6           HA       VAL   6   0.793   4.633  -3.774
   35    HB   VAL   6           HB       VAL   6   0.110   6.689  -5.842
   36   1HG1  VAL   6          1HG1      VAL   6   1.315   4.687  -7.159
   37   2HG1  VAL   6          2HG1      VAL   6   2.083   4.519  -5.581
   38   3HG1  VAL   6          3HG1      VAL   6   2.186   6.048  -6.453
   39   1HG2  VAL   6          1HG2      VAL   6  -1.356   4.332  -5.186
   40   2HG2  VAL   6          2HG2      VAL   6  -0.589   4.112  -6.759
   41   3HG2  VAL   6          3HG2      VAL   6  -1.650   5.493  -6.481
   42    H    ASP   7           H        ASP   7   0.039   8.091  -3.709
   43    HA   ASP   7           HA       ASP   7   2.865   8.652  -3.127
   44   1HB   ASP   7          2HB       ASP   7   1.505   9.823  -5.033
   45   2HB   ASP   7          1HB       ASP   7   0.844  10.788  -3.716
   46    H    LYS   8           H        LYS   8   0.821   7.620  -1.217
   47    HA   LYS   8           HA       LYS   8   1.112   9.749   0.789
   48   1HB   LYS   8          2HB       LYS   8  -1.298   9.115  -0.293
   49   2HB   LYS   8          1HB       LYS   8  -1.252   8.003   1.067
   50   1HG   LYS   8          2HG       LYS   8  -2.366  10.042   1.700
   51   2HG   LYS   8          1HG       LYS   8  -0.845   9.891   2.581
   52   1HD   LYS   8          2HD       LYS   8  -0.456  11.992   1.906
   53   2HD   LYS   8          1HD       LYS   8  -0.087  11.270   0.338
   54   1HE   LYS   8          2HE       LYS   8  -1.629  12.851  -0.278
   55   2HE   LYS   8          1HE       LYS   8  -2.679  11.462  -0.008
   56   1HZ   LYS   8          1HZ       LYS   8  -3.609  12.404   1.796
   57   2HZ   LYS   8          2HZ       LYS   8  -3.102  13.847   1.075
   58   3HZ   LYS   8          3HZ       LYS   8  -2.176  13.147   2.305
   59    H    SER   9           H        SER   9   0.276   6.308   0.372
   60    HA   SER   9           HA       SER   9   1.512   5.712   2.953
   61   1HB   SER   9          2HB       SER   9  -0.735   4.772   2.409
   62   2HB   SER   9          1HB       SER   9   0.005   3.857   1.096
   63    HG   SER   9           HG       SER   9   1.293   2.803   2.656
   64    H    ARG  10           H        ARG  10   3.519   4.968   3.097
   65    HA   ARG  10           HA       ARG  10   5.152   4.554   0.833
   66   1HB   ARG  10          2HB       ARG  10   5.607   5.001   3.494
   67   2HB   ARG  10          1HB       ARG  10   6.068   3.310   3.336
   68   1HG   ARG  10          2HG       ARG  10   7.502   4.049   1.367
   69   2HG   ARG  10          1HG       ARG  10   7.225   5.697   1.934
   70   1HD   ARG  10          2HD       ARG  10   8.325   5.296   3.971
   71   2HD   ARG  10          1HD       ARG  10   8.267   3.547   3.752
   72    HE   ARG  10           HE       ARG  10  10.210   3.688   2.569
   73   1HH1  ARG  10          1HH1      ARG  10   8.726   6.847   2.619
   74   2HH1  ARG  10          2HH1      ARG  10  10.063   7.624   1.838
   75   1HH2  ARG  10          1HH2      ARG  10  11.969   4.710   1.542
   76   2HH2  ARG  10          2HH2      ARG  10  11.904   6.411   1.227
   77    H    CYS  11           H        CYS  11   6.664   2.303   1.419
   78    HA   CYS  11           HA       CYS  11   5.200  -0.064   1.775
   79   1HB   CYS  11          2HB       CYS  11   4.354   0.929  -0.512
   80   2HB   CYS  11          1HB       CYS  11   5.863   0.271  -1.127
   81    H    ALA  12           H        ALA  12   6.476  -2.004   0.810
   82    HA   ALA  12           HA       ALA  12   9.272  -1.557   1.464
   83   1HB   ALA  12          1HB       ALA  12   8.797  -3.480   2.525
   84   2HB   ALA  12          2HB       ALA  12   9.074  -4.222   0.949
   85   3HB   ALA  12          3HB       ALA  12   7.431  -3.841   1.468
   86    H    LYS  13           H        LYS  13  10.737  -3.231   0.088
   87    HA   LYS  13           HA       LYS  13  11.276  -2.066  -2.324
   88   1HB   LYS  13          2HB       LYS  13  12.573  -3.871  -0.971
   89   2HB   LYS  13          1HB       LYS  13  11.710  -5.012  -1.989
   90   1HG   LYS  13          2HG       LYS  13  12.657  -3.995  -3.978
   91   2HG   LYS  13          1HG       LYS  13  13.479  -2.790  -2.986
   92   1HD   LYS  13          2HD       LYS  13  14.751  -4.578  -1.885
   93   2HD   LYS  13          1HD       LYS  13  13.939  -5.773  -2.899
   94   1HE   LYS  13          2HE       LYS  13  15.214  -5.302  -4.691
   95   2HE   LYS  13          1HE       LYS  13  15.203  -3.569  -4.368
   96   1HZ   LYS  13          1HZ       LYS  13  16.964  -5.629  -3.176
   97   2HZ   LYS  13          2HZ       LYS  13  16.810  -4.079  -2.518
   98   3HZ   LYS  13          3HZ       LYS  13  17.410  -4.274  -4.086
   99    H    TYR  14           H        TYR  14   9.272  -4.968  -1.824
  100    HA   TYR  14           HA       TYR  14   7.399  -4.368  -3.776
  101   1HB   TYR  14          2HB       TYR  14   8.170  -6.220  -5.453
  102   2HB   TYR  14          1HB       TYR  14   8.835  -4.596  -5.577
  103    HD1  TYR  14           1HD      TYR  14   9.632  -7.610  -3.503
  104    HD2  TYR  14           2HD      TYR  14  11.056  -4.622  -6.176
  105    HE1  TYR  14           1HE      TYR  14  11.902  -8.539  -3.323
  106    HE2  TYR  14           2HE      TYR  14  13.330  -5.543  -6.004
  107    HH   TYR  14           HH       TYR  14  14.132  -8.324  -5.192
  108    H    GLY  15           H        GLY  15   5.959  -6.188  -4.289
  109   1HA   GLY  15          2HA       GLY  15   5.493  -8.581  -3.863
  110   2HA   GLY  15          1HA       GLY  15   6.203  -8.341  -2.274
  111    H    TYR  16           H        TYR  16   4.564  -8.696  -0.904
  112    HA   TYR  16           HA       TYR  16   2.042  -7.250  -1.378
  113   1HB   TYR  16          2HB       TYR  16   2.007  -9.798  -1.296
  114   2HB   TYR  16          1HB       TYR  16   2.382  -9.650   0.416
  115    HD1  TYR  16           1HD      TYR  16   0.768  -7.982   1.727
  116    HD2  TYR  16           2HD      TYR  16  -0.214  -9.979  -1.898
  117    HE1  TYR  16           1HE      TYR  16  -1.623  -7.714   2.234
  118    HE2  TYR  16           2HE      TYR  16  -2.607  -9.716  -1.401
  119    HH   TYR  16           HH       TYR  16  -3.892  -9.275   1.285
  120    H    TYR  17           H        TYR  17   1.779  -5.529  -0.139
  121    HA   TYR  17           HA       TYR  17   2.928  -5.553   2.576
  122   1HB   TYR  17          2HB       TYR  17   3.955  -3.920   0.943
  123   2HB   TYR  17          1HB       TYR  17   2.403  -3.097   0.894
  124    HD1  TYR  17           1HD      TYR  17   3.057  -1.006   1.792
  125    HD2  TYR  17           2HD      TYR  17   3.944  -4.584   3.919
  126    HE1  TYR  17           1HE      TYR  17   3.706   0.327   3.752
  127    HE2  TYR  17           2HE      TYR  17   4.592  -3.260   5.886
  128    HH   TYR  17           HH       TYR  17   3.943   0.093   6.142
  129    H    GLN  18           H        GLN  18   1.307  -5.995   3.923
  130    HA   GLN  18           HA       GLN  18  -1.385  -5.757   3.561
  131   1HB   GLN  18          2HB       GLN  18   0.108  -6.655   5.574
  132   2HB   GLN  18          1HB       GLN  18  -0.364  -5.115   6.281
  133   1HG   GLN  18          2HG       GLN  18  -2.671  -5.669   6.149
  134   2HG   GLN  18          1HG       GLN  18  -2.332  -7.097   5.172
  135   1HE2  GLN  18          1HE2      GLN  18  -3.592  -6.575   7.890
  136   2HE2  GLN  18          2HE2      GLN  18  -2.816  -7.715   8.930
  137    H    GLU  19           H        GLU  19   0.848  -3.202   4.373
  138    HA   GLU  19           HA       GLU  19  -1.040  -1.311   5.290
  139   1HB   GLU  19          2HB       GLU  19   1.690  -1.389   5.106
  140   2HB   GLU  19          1HB       GLU  19   1.283  -0.227   3.852
  141   1HG   GLU  19          2HG       GLU  19   1.081   1.337   5.395
  142   2HG   GLU  19          1HG       GLU  19  -0.264   0.445   6.102
  143    H    CYS  20           H        CYS  20   0.344  -1.936   2.088
  144    HA   CYS  20           HA       CYS  20  -1.009   0.162   0.763
  145   1HB   CYS  20          2HB       CYS  20   1.026  -1.138  -0.051
  146   2HB   CYS  20          1HB       CYS  20  -0.095  -2.412  -0.518
  147    H    GLN  21           H        GLN  21  -1.647  -3.352   0.763
  148    HA   GLN  21           HA       GLN  21  -4.001  -3.303  -0.695
  149   1HB   GLN  21          2HB       GLN  21  -4.507  -5.472   0.265
  150   2HB   GLN  21          1HB       GLN  21  -2.794  -5.361  -0.111
  151   1HG   GLN  21          2HG       GLN  21  -2.261  -5.838   1.958
  152   2HG   GLN  21          1HG       GLN  21  -3.221  -4.497   2.569
  153   1HE2  GLN  21          1HE2      GLN  21  -5.714  -5.077   2.268
  154   2HE2  GLN  21          2HE2      GLN  21  -6.157  -6.584   2.987
  155    H    ASP  22           H        ASP  22  -3.456  -2.554   2.672
  156    HA   ASP  22           HA       ASP  22  -6.179  -2.624   3.485
  157   1HB   ASP  22          2HB       ASP  22  -3.612  -1.720   4.641
  158   2HB   ASP  22          1HB       ASP  22  -5.048  -0.904   5.253
  159    H    CYS  23           H        CYS  23  -4.016  -0.034   2.397
  160    HA   CYS  23           HA       CYS  23  -5.736   2.128   2.762
  161   1HB   CYS  23          2HB       CYS  23  -3.208   1.901   1.945
  162   2HB   CYS  23          1HB       CYS  23  -3.980   2.107   0.385
  163    H    CYS  24           H        CYS  24  -5.077   0.395  -0.271
  164    HA   CYS  24           HA       CYS  24  -6.977   1.574  -1.874
  165   1HB   CYS  24          2HB       CYS  24  -5.190  -0.128  -2.512
  166   2HB   CYS  24          1HB       CYS  24  -6.328  -1.370  -2.003
  167    H    LYS  25           H        LYS  25  -7.401  -1.498  -0.103
  168    HA   LYS  25           HA       LYS  25 -10.047  -1.978  -0.664
  169   1HB   LYS  25          2HB       LYS  25  -8.717  -3.608   0.480
  170   2HB   LYS  25          1HB       LYS  25  -8.452  -2.526   1.837
  171   1HG   LYS  25          2HG       LYS  25 -11.196  -2.738   1.737
  172   2HG   LYS  25          1HG       LYS  25 -10.643  -4.357   1.306
  173   1HD   LYS  25          2HD       LYS  25 -10.123  -4.784   3.422
  174   2HD   LYS  25          1HD       LYS  25  -9.073  -3.370   3.487
  175   1HE   LYS  25          2HE       LYS  25 -11.961  -2.816   3.628
  176   2HE   LYS  25          1HE       LYS  25 -11.288  -3.689   5.005
  177   1HZ   LYS  25          1HZ       LYS  25  -9.765  -1.388   4.097
  178   2HZ   LYS  25          2HZ       LYS  25 -10.111  -1.906   5.669
  179   3HZ   LYS  25          3HZ       LYS  25 -11.268  -1.040   4.792
  180    H    ASN  26           H        ASN  26  -8.699   0.156   1.811
  181    HA   ASN  26           HA       ASN  26 -11.202   0.764   3.029
  182   1HB   ASN  26          2HB       ASN  26  -8.534   1.205   3.640
  183   2HB   ASN  26          1HB       ASN  26  -9.157   2.820   3.325
  184   1HD2  ASN  26          1HD2      ASN  26  -8.550   0.767   5.712
  185   2HD2  ASN  26          2HD2      ASN  26  -9.780   1.206   6.842
  186    H    ALA  27           H        ALA  27  -9.514   1.949   0.255
  187    HA   ALA  27           HA       ALA  27 -10.850   4.479   0.113
  188   1HB   ALA  27          1HB       ALA  27  -8.604   3.802  -0.948
  189   2HB   ALA  27          2HB       ALA  27  -9.693   4.833  -1.876
  190   3HB   ALA  27          3HB       ALA  27  -9.590   3.109  -2.236
  191    H    GLY  28           H        GLY  28 -11.406   1.262  -1.147
  192   1HA   GLY  28          2HA       GLY  28 -13.973   1.009  -1.377
  193   2HA   GLY  28          1HA       GLY  28 -13.744   2.218  -2.627
  194    H    HIS  29           H        HIS  29 -11.525  -0.422  -1.919
  195    HA   HIS  29           HA       HIS  29 -12.399  -1.815  -4.337
  196   1HB   HIS  29          2HB       HIS  29  -9.511  -1.111  -3.785
  197   2HB   HIS  29          1HB       HIS  29 -10.125  -1.986  -5.182
  198    HD1  HIS  29           1HD      HIS  29 -12.215  -0.354  -6.365
  199    HD2  HIS  29           2HD      HIS  29  -8.929   1.413  -4.535
  200    HE1  HIS  29           1HE      HIS  29 -12.073   1.963  -7.330
  201    HE2  HIS  29           2HE      HIS  29 -10.022   2.979  -6.278
  202    H    ASN  30           H        ASN  30 -10.001  -3.557  -4.198
  203    HA   ASN  30           HA       ASN  30 -10.845  -5.158  -1.887
  204   1HB   ASN  30          2HB       ASN  30  -9.337  -6.129  -4.317
  205   2HB   ASN  30          1HB       ASN  30 -10.137  -7.106  -3.090
  206   1HD2  ASN  30          1HD2      ASN  30 -12.435  -7.095  -3.006
  207   2HD2  ASN  30          2HD2      ASN  30 -13.359  -6.732  -4.419
  208    H    GLY  31           H        GLY  31  -7.966  -4.111  -3.689
  209   1HA   GLY  31          2HA       GLY  31  -6.410  -3.658  -1.412
  210   2HA   GLY  31          1HA       GLY  31  -6.072  -5.292  -1.962
  211    H    GLY  32           H        GLY  32  -3.930  -4.761  -2.457
  212   1HA   GLY  32          2HA       GLY  32  -3.557  -3.784  -5.121
  213   2HA   GLY  32          1HA       GLY  32  -2.966  -2.649  -3.918
  214    H    THR  33           H        THR  33  -0.916  -3.096  -5.096
  215    HA   THR  33           HA       THR  33   0.464  -5.340  -3.803
  216    HB   THR  33           HB       THR  33  -0.051  -6.019  -6.107
  217    HG1  THR  33           1HG      THR  33   1.824  -6.885  -5.480
  218   1HG2  THR  33          1HG2      THR  33   0.143  -3.532  -6.930
  219   2HG2  THR  33          2HG2      THR  33   0.502  -4.889  -7.999
  220   3HG2  THR  33          3HG2      THR  33   1.817  -4.005  -7.223
  221    H    CYS  34           H        CYS  34   2.891  -5.092  -4.006
  222    HA   CYS  34           HA       CYS  34   3.582  -2.266  -3.578
  223   1HB   CYS  34          2HB       CYS  34   3.880  -4.069  -1.740
  224   2HB   CYS  34          1HB       CYS  34   5.266  -4.589  -2.688
  225    H    MET  35           H        MET  35   4.949  -1.285  -4.928
  226    HA   MET  35           HA       MET  35   6.726  -2.924  -6.593
  227   1HB   MET  35          2HB       MET  35   4.499  -1.251  -7.471
  228   2HB   MET  35          1HB       MET  35   6.014  -0.834  -8.259
  229   1HG   MET  35          2HG       MET  35   5.502  -3.705  -8.149
  230   2HG   MET  35          1HG       MET  35   4.292  -2.796  -9.052
  231   1HE   MET  35          1HE       MET  35   5.895  -1.890 -12.272
  232   2HE   MET  35          2HE       MET  35   4.925  -1.110 -11.023
  233   3HE   MET  35          3HE       MET  35   4.536  -2.749 -11.547
  234    H    PHE  36           H        PHE  36   8.629  -2.319  -5.680
  235    HA   PHE  36           HA       PHE  36  10.359  -1.014  -4.974
  236   1HB   PHE  36          2HB       PHE  36  10.608  -0.773  -7.359
  237   2HB   PHE  36          1HB       PHE  36   9.409   0.508  -7.397
  238    HD1  PHE  36           1HD      PHE  36  12.703  -0.340  -5.943
  239    HD2  PHE  36           2HD      PHE  36  10.090   2.724  -7.296
  240    HE1  PHE  36           1HE      PHE  36  14.504   1.314  -5.649
  241    HE2  PHE  36           2HE      PHE  36  11.880   4.388  -7.008
  242    HZ   PHE  36           HZ       PHE  36  14.092   3.684  -6.183
  243    H    PHE  37           H        PHE  37   8.852  -0.514  -3.080
  244    HA   PHE  37           HA       PHE  37   8.141   0.946  -1.500
  245   1HB   PHE  37          2HB       PHE  37   9.700   3.053  -2.992
  246   2HB   PHE  37          1HB       PHE  37   9.340   2.991  -1.269
  247    HD1  PHE  37           1HD      PHE  37   9.974   0.046  -0.878
  248    HD2  PHE  37           2HD      PHE  37  12.060   3.178  -2.865
  249    HE1  PHE  37           1HE      PHE  37  12.100  -1.122  -0.474
  250    HE2  PHE  37           2HE      PHE  37  14.192   2.013  -2.466
  251    HZ   PHE  37           HZ       PHE  37  14.212  -0.143  -1.271
  252    H    LYS  38           H        LYS  38   6.720   0.782  -4.221
  253    HA   LYS  38           HA       LYS  38   5.190   3.285  -3.942
  254   1HB   LYS  38          2HB       LYS  38   5.314   1.510  -6.385
  255   2HB   LYS  38          1HB       LYS  38   4.526   3.074  -6.256
  256   1HG   LYS  38          2HG       LYS  38   6.874   3.969  -5.687
  257   2HG   LYS  38          1HG       LYS  38   7.448   2.447  -6.372
  258   1HD   LYS  38          2HD       LYS  38   7.443   4.169  -8.076
  259   2HD   LYS  38          1HD       LYS  38   6.220   2.952  -8.452
  260   1HE   LYS  38          2HE       LYS  38   4.461   4.362  -7.843
  261   2HE   LYS  38          1HE       LYS  38   5.517   5.436  -6.927
  262   1HZ   LYS  38          1HZ       LYS  38   4.646   5.978  -9.375
  263   2HZ   LYS  38          2HZ       LYS  38   6.095   5.199  -9.764
  264   3HZ   LYS  38          3HZ       LYS  38   6.112   6.563  -8.766
  265    H    CYS  39           H        CYS  39   3.008   3.182  -3.653
  266    HA   CYS  39           HA       CYS  39   1.924   0.509  -3.119
  267   1HB   CYS  39          2HB       CYS  39   1.869   2.044  -1.226
  268   2HB   CYS  39          1HB       CYS  39   0.988   3.228  -2.184
  269    H    LYS  40           H        LYS  40   0.936  -0.286  -4.859
  270    HA   LYS  40           HA       LYS  40  -0.877   1.484  -6.364
  271   1HB   LYS  40          2HB       LYS  40   1.170   0.202  -7.456
  272   2HB   LYS  40          1HB       LYS  40   0.033  -1.140  -7.467
  273   1HG   LYS  40          2HG       LYS  40  -1.287  -0.192  -9.050
  274   2HG   LYS  40          1HG       LYS  40  -0.914   1.455  -8.537
  275   1HD   LYS  40          2HD       LYS  40   1.472   0.889  -9.429
  276   2HD   LYS  40          1HD       LYS  40   0.631  -0.373 -10.330
  277   1HE   LYS  40          2HE       LYS  40  -0.416   2.420 -10.396
  278   2HE   LYS  40          1HE       LYS  40   0.989   2.003 -11.376
  279   1HZ   LYS  40          1HZ       LYS  40  -0.588   1.438 -12.856
  280   2HZ   LYS  40          2HZ       LYS  40  -1.787   1.212 -11.684
  281   3HZ   LYS  40          3HZ       LYS  40  -0.649  -0.005 -11.976
  282    H    CYS  41           H        CYS  41  -2.837   0.391  -7.247
  283    HA   CYS  41           HA       CYS  41  -4.002  -1.287  -5.178
  284   1HB   CYS  41          2HB       CYS  41  -5.054   0.455  -7.353
  285   2HB   CYS  41          1HB       CYS  41  -6.067  -0.838  -6.760
  286    H    ALA  42           H        ALA  42  -5.895  -2.693  -6.397
  287    HA   ALA  42           HA       ALA  42  -4.496  -4.369  -8.379
  288   1HB   ALA  42          1HB       ALA  42  -4.875  -5.163  -5.834
  289   2HB   ALA  42          2HB       ALA  42  -4.821  -6.269  -7.206
  290   3HB   ALA  42          3HB       ALA  42  -6.375  -5.736  -6.565
  Start of MODEL    2
    1   1H    ASP   1          1HT       ASP   1 -10.635  17.345  -3.837
    2   2H    ASP   1          2HT       ASP   1 -10.131  17.117  -5.462
    3   3H    ASP   1          3HT       ASP   1  -9.164  16.531  -4.171
    4    HA   ASP   1           HA       ASP   1 -11.113  15.139  -3.534
    5   1HB   ASP   1          2HB       ASP   1 -12.423  16.660  -5.332
    6   2HB   ASP   1          1HB       ASP   1 -11.967  15.314  -6.374
    7    H    ARG   2           H        ARG   2  -9.066  14.026  -3.429
    8    HA   ARG   2           HA       ARG   2  -8.859  11.873  -5.199
    9   1HB   ARG   2          2HB       ARG   2  -7.999  13.521  -6.787
   10   2HB   ARG   2          1HB       ARG   2  -6.774  14.019  -5.629
   11   1HG   ARG   2          2HG       ARG   2  -5.733  11.831  -5.752
   12   2HG   ARG   2          1HG       ARG   2  -6.990  11.280  -6.861
   13   1HD   ARG   2          2HD       ARG   2  -4.961  11.884  -8.069
   14   2HD   ARG   2          1HD       ARG   2  -6.293  12.957  -8.493
   15    HE   ARG   2           HE       ARG   2  -4.965  14.228  -6.459
   16   1HH1  ARG   2          1HH1      ARG   2  -4.123  13.034  -9.628
   17   2HH1  ARG   2          2HH1      ARG   2  -2.896  14.228  -9.889
   18   1HH2  ARG   2          1HH2      ARG   2  -3.349  15.799  -6.800
   19   2HH2  ARG   2          2HH2      ARG   2  -2.456  15.797  -8.284
   20    H    ASP   3           H        ASP   3  -8.421  10.469  -3.646
   21    HA   ASP   3           HA       ASP   3  -6.837  11.049  -1.361
   22   1HB   ASP   3          2HB       ASP   3  -8.661   9.098  -2.024
   23   2HB   ASP   3          1HB       ASP   3  -7.144   8.205  -2.011
   24    H    SER   4           H        SER   4  -6.244   8.482  -3.760
   25    HA   SER   4           HA       SER   4  -4.321   7.619  -4.618
   26   1HB   SER   4          2HB       SER   4  -4.066   9.742  -5.723
   27   2HB   SER   4          1HB       SER   4  -3.439  10.488  -4.254
   28    HG   SER   4           HG       SER   4  -1.996   9.508  -6.104
   29    H    CYS   5           H        CYS   5  -3.803   6.165  -3.014
   30    HA   CYS   5           HA       CYS   5  -2.290   7.026  -0.698
   31   1HB   CYS   5          2HB       CYS   5  -4.084   5.169  -0.763
   32   2HB   CYS   5          1HB       CYS   5  -2.819   4.164  -1.460
   33    H    VAL   6           H        VAL   6  -1.635   5.857  -3.854
   34    HA   VAL   6           HA       VAL   6   0.688   4.420  -3.615
   35    HB   VAL   6           HB       VAL   6   0.314   6.536  -5.703
   36   1HG1  VAL   6          1HG1      VAL   6   2.433   5.627  -5.976
   37   2HG1  VAL   6          2HG1      VAL   6   1.443   4.670  -7.078
   38   3HG1  VAL   6          3HG1      VAL   6   1.905   4.012  -5.508
   39   1HG2  VAL   6          1HG2      VAL   6  -1.400   4.332  -5.122
   40   2HG2  VAL   6          2HG2      VAL   6  -0.589   4.037  -6.660
   41   3HG2  VAL   6          3HG2      VAL   6  -1.521   5.514  -6.425
   42    H    ASP   7           H        ASP   7   0.374   7.953  -3.706
   43    HA   ASP   7           HA       ASP   7   3.212   8.232  -3.078
   44   1HB   ASP   7          2HB       ASP   7   1.687   9.664  -4.765
   45   2HB   ASP   7          1HB       ASP   7   1.472  10.628  -3.306
   46    H    LYS   8           H        LYS   8   0.095   8.457  -1.587
   47    HA   LYS   8           HA       LYS   8   0.763  10.118   0.594
   48   1HB   LYS   8          2HB       LYS   8  -1.557   9.281  -0.264
   49   2HB   LYS   8          1HB       LYS   8  -1.267   7.923   0.814
   50   1HG   LYS   8          2HG       LYS   8  -0.720  10.319   2.239
   51   2HG   LYS   8          1HG       LYS   8  -2.283  10.489   1.436
   52   1HD   LYS   8          2HD       LYS   8  -1.511   8.105   3.110
   53   2HD   LYS   8          1HD       LYS   8  -2.380   9.505   3.742
   54   1HE   LYS   8          2HE       LYS   8  -3.881   8.919   1.571
   55   2HE   LYS   8          1HE       LYS   8  -3.315   7.310   2.015
   56   1HZ   LYS   8          1HZ       LYS   8  -4.642   9.193   3.889
   57   2HZ   LYS   8          2HZ       LYS   8  -4.218   7.584   4.200
   58   3HZ   LYS   8          3HZ       LYS   8  -5.433   7.936   3.077
   59    H    SER   9           H        SER   9   0.209   6.590   0.667
   60    HA   SER   9           HA       SER   9   1.846   6.400   3.063
   61   1HB   SER   9          2HB       SER   9  -0.424   5.169   2.551
   62   2HB   SER   9          1HB       SER   9   0.624   4.014   1.727
   63    HG   SER   9           HG       SER   9   1.741   3.717   3.668
   64    H    ARG  10           H        ARG  10   3.459   4.642   3.242
   65    HA   ARG  10           HA       ARG  10   5.166   4.639   0.879
   66   1HB   ARG  10          2HB       ARG  10   5.734   5.038   3.509
   67   2HB   ARG  10          1HB       ARG  10   6.118   3.330   3.344
   68   1HG   ARG  10          2HG       ARG  10   7.424   4.159   1.225
   69   2HG   ARG  10          1HG       ARG  10   7.408   5.696   2.089
   70   1HD   ARG  10          2HD       ARG  10   8.218   3.225   3.545
   71   2HD   ARG  10          1HD       ARG  10   9.362   3.971   2.429
   72    HE   ARG  10           HE       ARG  10   8.341   5.957   4.117
   73   1HH1  ARG  10          1HH1      ARG  10  10.381   3.130   4.278
   74   2HH1  ARG  10          2HH1      ARG  10  11.310   3.722   5.614
   75   1HH2  ARG  10          1HH2      ARG  10   9.560   6.736   5.877
   76   2HH2  ARG  10          2HH2      ARG  10  10.843   5.768   6.523
   77    H    CYS  11           H        CYS  11   6.664   2.352   1.362
   78    HA   CYS  11           HA       CYS  11   5.086   0.016   1.651
   79   1HB   CYS  11          2HB       CYS  11   4.485   1.096  -0.689
   80   2HB   CYS  11          1HB       CYS  11   5.990   0.331  -1.180
   81    H    ALA  12           H        ALA  12   6.364  -1.951   0.710
   82    HA   ALA  12           HA       ALA  12   9.110  -1.635   1.610
   83   1HB   ALA  12          1HB       ALA  12   8.827  -4.279   0.957
   84   2HB   ALA  12          2HB       ALA  12   7.187  -3.828   1.428
   85   3HB   ALA  12          3HB       ALA  12   8.527  -3.583   2.550
   86    H    LYS  13           H        LYS  13  10.632  -3.317   0.293
   87    HA   LYS  13           HA       LYS  13  11.357  -2.087  -2.044
   88   1HB   LYS  13          2HB       LYS  13  12.417  -4.007  -0.527
   89   2HB   LYS  13          1HB       LYS  13  11.822  -5.005  -1.838
   90   1HG   LYS  13          2HG       LYS  13  13.252  -4.071  -3.384
   91   2HG   LYS  13          1HG       LYS  13  13.451  -2.586  -2.450
   92   1HD   LYS  13          2HD       LYS  13  14.571  -5.302  -1.759
   93   2HD   LYS  13          1HD       LYS  13  15.475  -3.916  -2.365
   94   1HE   LYS  13          2HE       LYS  13  14.347  -2.768  -0.242
   95   2HE   LYS  13          1HE       LYS  13  14.374  -4.435   0.334
   96   1HZ   LYS  13          1HZ       LYS  13  16.681  -2.777  -0.511
   97   2HZ   LYS  13          2HZ       LYS  13  16.790  -4.446  -0.267
   98   3HZ   LYS  13          3HZ       LYS  13  16.381  -3.429   1.021
   99    H    TYR  14           H        TYR  14   9.266  -4.936  -1.674
  100    HA   TYR  14           HA       TYR  14   7.584  -4.371  -3.788
  101   1HB   TYR  14          2HB       TYR  14   8.535  -6.308  -5.339
  102   2HB   TYR  14          1HB       TYR  14   9.070  -4.640  -5.513
  103    HD1  TYR  14           1HD      TYR  14  10.014  -7.385  -3.150
  104    HD2  TYR  14           2HD      TYR  14  11.301  -4.592  -6.088
  105    HE1  TYR  14           1HE      TYR  14  12.339  -8.102  -2.802
  106    HE2  TYR  14           2HE      TYR  14  13.631  -5.301  -5.749
  107    HH   TYR  14           HH       TYR  14  14.637  -7.118  -3.126
  108    H    GLY  15           H        GLY  15   6.105  -6.107  -4.301
  109   1HA   GLY  15          2HA       GLY  15   5.525  -8.476  -3.953
  110   2HA   GLY  15          1HA       GLY  15   6.266  -8.340  -2.367
  111    H    TYR  16           H        TYR  16   4.653  -8.657  -0.969
  112    HA   TYR  16           HA       TYR  16   2.137  -7.194  -1.386
  113   1HB   TYR  16          2HB       TYR  16   2.086  -9.718  -1.187
  114   2HB   TYR  16          1HB       TYR  16   2.586  -9.518   0.489
  115    HD1  TYR  16           1HD      TYR  16   1.074  -7.888   1.907
  116    HD2  TYR  16           2HD      TYR  16  -0.172  -9.828  -1.669
  117    HE1  TYR  16           1HE      TYR  16  -1.275  -7.598   2.575
  118    HE2  TYR  16           2HE      TYR  16  -2.524  -9.543  -1.011
  119    HH   TYR  16           HH       TYR  16  -3.746  -7.672   0.692
  120    H    TYR  17           H        TYR  17   1.520  -5.658   0.001
  121    HA   TYR  17           HA       TYR  17   2.913  -5.442   2.580
  122   1HB   TYR  17          2HB       TYR  17   3.645  -3.810   0.655
  123   2HB   TYR  17          1HB       TYR  17   2.157  -2.968   1.068
  124    HD1  TYR  17           1HD      TYR  17   2.886  -0.991   2.072
  125    HD2  TYR  17           2HD      TYR  17   4.565  -4.693   3.326
  126    HE1  TYR  17           1HE      TYR  17   4.052   0.166   3.903
  127    HE2  TYR  17           2HE      TYR  17   5.732  -3.548   5.163
  128    HH   TYR  17           HH       TYR  17   6.550  -0.909   5.461
  129    H    GLN  18           H        GLN  18   1.388  -5.826   4.048
  130    HA   GLN  18           HA       GLN  18  -1.338  -5.698   3.764
  131   1HB   GLN  18          2HB       GLN  18   0.272  -6.482   5.749
  132   2HB   GLN  18          1HB       GLN  18  -0.247  -4.944   6.425
  133   1HG   GLN  18          2HG       GLN  18  -1.917  -6.177   7.265
  134   2HG   GLN  18          1HG       GLN  18  -2.624  -5.944   5.666
  135   1HE2  GLN  18          1HE2      GLN  18  -3.758  -7.942   6.399
  136   2HE2  GLN  18          2HE2      GLN  18  -3.019  -9.458   6.028
  137    H    GLU  19           H        GLU  19   0.874  -3.081   4.437
  138    HA   GLU  19           HA       GLU  19  -1.039  -1.196   5.334
  139   1HB   GLU  19          2HB       GLU  19   1.656  -1.220   5.251
  140   2HB   GLU  19          1HB       GLU  19   1.330  -0.213   3.846
  141   1HG   GLU  19          2HG       GLU  19  -0.311   0.930   5.654
  142   2HG   GLU  19          1HG       GLU  19   0.980   0.353   6.707
  143    H    CYS  20           H        CYS  20   0.243  -2.014   2.150
  144    HA   CYS  20           HA       CYS  20  -1.103   0.079   0.770
  145   1HB   CYS  20          2HB       CYS  20   0.941  -1.245  -0.012
  146   2HB   CYS  20          1HB       CYS  20  -0.190  -2.517  -0.459
  147    H    GLN  21           H        GLN  21  -1.710  -3.435   0.926
  148    HA   GLN  21           HA       GLN  21  -4.076  -3.464  -0.521
  149   1HB   GLN  21          2HB       GLN  21  -4.558  -5.597   0.551
  150   2HB   GLN  21          1HB       GLN  21  -2.860  -5.493   0.108
  151   1HG   GLN  21          2HG       GLN  21  -2.254  -5.899   2.171
  152   2HG   GLN  21          1HG       GLN  21  -3.180  -4.526   2.763
  153   1HE2  GLN  21          1HE2      GLN  21  -5.731  -5.238   2.325
  154   2HE2  GLN  21          2HE2      GLN  21  -6.135  -6.657   3.224
  155    H    ASP  22           H        ASP  22  -3.505  -2.640   2.832
  156    HA   ASP  22           HA       ASP  22  -6.225  -2.674   3.655
  157   1HB   ASP  22          2HB       ASP  22  -4.230  -2.761   5.190
  158   2HB   ASP  22          1HB       ASP  22  -3.975  -1.050   4.857
  159    H    CYS  23           H        CYS  23  -4.039  -0.093   2.578
  160    HA   CYS  23           HA       CYS  23  -5.749   2.075   2.886
  161   1HB   CYS  23          2HB       CYS  23  -3.217   1.793   2.078
  162   2HB   CYS  23          1HB       CYS  23  -3.987   2.020   0.520
  163    H    CYS  24           H        CYS  24  -5.128   0.181  -0.049
  164    HA   CYS  24           HA       CYS  24  -6.951   1.386  -1.735
  165   1HB   CYS  24          2HB       CYS  24  -5.193  -0.395  -2.261
  166   2HB   CYS  24          1HB       CYS  24  -6.407  -1.576  -1.782
  167    H    LYS  25           H        LYS  25  -7.529  -1.661   0.057
  168    HA   LYS  25           HA       LYS  25 -10.202  -1.958  -0.579
  169   1HB   LYS  25          2HB       LYS  25 -10.391  -3.433   1.307
  170   2HB   LYS  25          1HB       LYS  25  -8.802  -3.651   0.589
  171   1HG   LYS  25          2HG       LYS  25  -7.750  -3.020   2.451
  172   2HG   LYS  25          1HG       LYS  25  -8.842  -1.664   2.724
  173   1HD   LYS  25          2HD       LYS  25 -10.102  -4.259   3.154
  174   2HD   LYS  25          1HD       LYS  25  -8.727  -3.968   4.222
  175   1HE   LYS  25          2HE       LYS  25 -11.053  -2.087   3.834
  176   2HE   LYS  25          1HE       LYS  25 -10.872  -3.207   5.184
  177   1HZ   LYS  25          1HZ       LYS  25  -8.569  -1.948   5.362
  178   2HZ   LYS  25          2HZ       LYS  25  -9.970  -1.367   6.113
  179   3HZ   LYS  25          3HZ       LYS  25  -9.466  -0.708   4.639
  180    H    ASN  26           H        ASN  26  -8.733   0.194   1.733
  181    HA   ASN  26           HA       ASN  26 -11.201   0.843   3.065
  182   1HB   ASN  26          2HB       ASN  26  -8.509   1.179   3.649
  183   2HB   ASN  26          1HB       ASN  26  -9.071   2.815   3.335
  184   1HD2  ASN  26          1HD2      ASN  26  -8.343   1.084   5.786
  185   2HD2  ASN  26          2HD2      ASN  26  -9.610   1.446   6.903
  186    H    ALA  27           H        ALA  27  -9.494   1.921   0.266
  187    HA   ALA  27           HA       ALA  27 -10.749   4.504   0.118
  188   1HB   ALA  27          1HB       ALA  27  -8.823   2.963  -1.489
  189   2HB   ALA  27          2HB       ALA  27  -8.843   4.677  -1.072
  190   3HB   ALA  27          3HB       ALA  27  -9.847   4.078  -2.393
  191    H    GLY  28           H        GLY  28 -11.383   1.294  -1.102
  192   1HA   GLY  28          2HA       GLY  28 -13.928   1.081  -1.399
  193   2HA   GLY  28          1HA       GLY  28 -13.672   2.308  -2.626
  194    H    HIS  29           H        HIS  29 -11.542  -0.410  -1.910
  195    HA   HIS  29           HA       HIS  29 -12.395  -1.743  -4.367
  196   1HB   HIS  29          2HB       HIS  29  -9.474  -1.228  -3.822
  197   2HB   HIS  29          1HB       HIS  29 -10.206  -1.851  -5.296
  198    HD1  HIS  29           1HD      HIS  29 -12.034   0.050  -6.342
  199    HD2  HIS  29           2HD      HIS  29  -8.803   1.366  -4.086
  200    HE1  HIS  29           1HE      HIS  29 -11.728   2.469  -6.955
  201    HE2  HIS  29           2HE      HIS  29  -9.718   3.223  -5.638
  202    H    ASN  30           H        ASN  30  -9.984  -3.486  -4.230
  203    HA   ASN  30           HA       ASN  30 -10.822  -5.101  -1.919
  204   1HB   ASN  30          2HB       ASN  30 -10.991  -5.878  -4.458
  205   2HB   ASN  30          1HB       ASN  30  -9.307  -6.312  -4.182
  206   1HD2  ASN  30          1HD2      ASN  30 -11.944  -7.813  -4.521
  207   2HD2  ASN  30          2HD2      ASN  30 -11.917  -8.970  -3.239
  208    H    GLY  31           H        GLY  31  -7.952  -4.365  -3.916
  209   1HA   GLY  31          2HA       GLY  31  -6.301  -3.920  -1.649
  210   2HA   GLY  31          1HA       GLY  31  -6.031  -5.536  -2.285
  211    H    GLY  32           H        GLY  32  -3.889  -5.014  -2.845
  212   1HA   GLY  32          2HA       GLY  32  -3.601  -3.990  -5.492
  213   2HA   GLY  32          1HA       GLY  32  -3.000  -2.846  -4.303
  214    H    THR  33           H        THR  33  -0.897  -3.088  -5.210
  215    HA   THR  33           HA       THR  33   0.521  -5.379  -4.089
  216    HB   THR  33           HB       THR  33   0.182  -6.174  -6.297
  217    HG1  THR  33           1HG      THR  33   2.255  -6.575  -5.935
  218   1HG2  THR  33          1HG2      THR  33   1.316  -4.465  -8.103
  219   2HG2  THR  33          2HG2      THR  33   0.405  -3.377  -7.056
  220   3HG2  THR  33          3HG2      THR  33  -0.414  -4.714  -7.863
  221    H    CYS  34           H        CYS  34   2.909  -5.060  -4.164
  222    HA   CYS  34           HA       CYS  34   3.538  -2.212  -3.786
  223   1HB   CYS  34          2HB       CYS  34   3.765  -3.888  -1.855
  224   2HB   CYS  34          1HB       CYS  34   5.157  -4.516  -2.724
  225    H    MET  35           H        MET  35   4.972  -1.254  -5.083
  226    HA   MET  35           HA       MET  35   6.828  -2.928  -6.628
  227   1HB   MET  35          2HB       MET  35   4.743  -1.081  -7.634
  228   2HB   MET  35          1HB       MET  35   6.306  -0.997  -8.435
  229   1HG   MET  35          2HG       MET  35   5.023  -3.653  -8.018
  230   2HG   MET  35          1HG       MET  35   4.444  -2.600  -9.307
  231   1HE   MET  35          1HE       MET  35   7.596  -2.132 -11.520
  232   2HE   MET  35          2HE       MET  35   7.491  -1.185 -10.035
  233   3HE   MET  35          3HE       MET  35   6.046  -1.469 -11.005
  234    H    PHE  36           H        PHE  36   8.691  -2.323  -5.635
  235    HA   PHE  36           HA       PHE  36  10.399  -1.023  -4.874
  236   1HB   PHE  36          2HB       PHE  36  10.744  -0.776  -7.247
  237   2HB   PHE  36          1HB       PHE  36   9.542   0.501  -7.330
  238    HD1  PHE  36           1HD      PHE  36  12.130   0.151  -4.735
  239    HD2  PHE  36           2HD      PHE  36  10.871   2.235  -8.218
  240    HE1  PHE  36           1HE      PHE  36  13.901   1.821  -4.367
  241    HE2  PHE  36           2HE      PHE  36  12.637   3.911  -7.862
  242    HZ   PHE  36           HZ       PHE  36  14.155   3.706  -5.933
  243    H    PHE  37           H        PHE  37   8.685  -0.541  -3.092
  244    HA   PHE  37           HA       PHE  37   7.982   0.920  -1.511
  245   1HB   PHE  37          2HB       PHE  37   9.539   3.035  -3.000
  246   2HB   PHE  37          1HB       PHE  37   9.097   3.030  -1.295
  247    HD1  PHE  37           1HD      PHE  37   9.762   0.099  -0.791
  248    HD2  PHE  37           2HD      PHE  37  11.893   3.227  -2.735
  249    HE1  PHE  37           1HE      PHE  37  11.885  -1.014  -0.241
  250    HE2  PHE  37           2HE      PHE  37  14.021   2.117  -2.191
  251    HZ   PHE  37           HZ       PHE  37  14.017  -0.010  -0.943
  252    H    LYS  38           H        LYS  38   6.659   0.717  -4.298
  253    HA   LYS  38           HA       LYS  38   5.056   3.178  -4.093
  254   1HB   LYS  38          2HB       LYS  38   5.310   1.288  -6.441
  255   2HB   LYS  38          1HB       LYS  38   4.344   2.754  -6.403
  256   1HG   LYS  38          2HG       LYS  38   6.586   3.926  -5.848
  257   2HG   LYS  38          1HG       LYS  38   7.313   2.457  -6.500
  258   1HD   LYS  38          2HD       LYS  38   7.157   3.549  -8.465
  259   2HD   LYS  38          1HD       LYS  38   5.479   3.001  -8.414
  260   1HE   LYS  38          2HE       LYS  38   5.143   5.219  -7.041
  261   2HE   LYS  38          1HE       LYS  38   6.620   5.702  -7.876
  262   1HZ   LYS  38          1HZ       LYS  38   5.231   4.766  -9.917
  263   2HZ   LYS  38          2HZ       LYS  38   5.128   6.376  -9.409
  264   3HZ   LYS  38          3HZ       LYS  38   3.944   5.263  -8.937
  265    H    CYS  39           H        CYS  39   2.880   3.056  -3.789
  266    HA   CYS  39           HA       CYS  39   1.818   0.376  -3.206
  267   1HB   CYS  39          2HB       CYS  39   1.841   1.845  -1.272
  268   2HB   CYS  39          1HB       CYS  39   0.973   3.088  -2.165
  269    H    LYS  40           H        LYS  40   0.942  -0.280  -5.111
  270    HA   LYS  40           HA       LYS  40  -1.003   1.508  -6.403
  271   1HB   LYS  40          2HB       LYS  40   1.049   0.180  -7.569
  272   2HB   LYS  40          1HB       LYS  40  -0.232  -1.009  -7.753
  273   1HG   LYS  40          2HG       LYS  40  -1.554   1.127  -8.617
  274   2HG   LYS  40          1HG       LYS  40   0.086   1.655  -9.001
  275   1HD   LYS  40          2HD       LYS  40   0.449  -0.150 -10.452
  276   2HD   LYS  40          1HD       LYS  40  -0.917  -1.059  -9.800
  277   1HE   LYS  40          2HE       LYS  40  -2.443   0.078 -11.043
  278   2HE   LYS  40          1HE       LYS  40  -1.512   1.574 -11.014
  279   1HZ   LYS  40          1HZ       LYS  40  -1.126   1.017 -13.144
  280   2HZ   LYS  40          2HZ       LYS  40  -1.419  -0.631 -12.899
  281   3HZ   LYS  40          3HZ       LYS  40   0.079   0.033 -12.481
  282    H    CYS  41           H        CYS  41  -2.964   0.429  -7.293
  283    HA   CYS  41           HA       CYS  41  -4.012  -1.442  -5.316
  284   1HB   CYS  41          2HB       CYS  41  -5.200   0.556  -7.185
  285   2HB   CYS  41          1HB       CYS  41  -6.185  -0.788  -6.653
  286    H    ALA  42           H        ALA  42  -6.018  -2.672  -6.577
  287    HA   ALA  42           HA       ALA  42  -5.303  -3.764  -9.120
  288   1HB   ALA  42          1HB       ALA  42  -4.817  -6.038  -8.418
  289   2HB   ALA  42          2HB       ALA  42  -4.959  -5.565  -6.725
  290   3HB   ALA  42          3HB       ALA  42  -3.651  -4.916  -7.715
  Start of MODEL    3
    1   1H    ASP   1          1HT       ASP   1 -11.343  12.517  -4.865
    2   2H    ASP   1          2HT       ASP   1 -12.805  13.353  -4.530
    3   3H    ASP   1          3HT       ASP   1 -11.438  13.567  -3.513
    4    HA   ASP   1           HA       ASP   1 -11.876  14.507  -6.252
    5   1HB   ASP   1          2HB       ASP   1 -11.856  15.605  -3.565
    6   2HB   ASP   1          1HB       ASP   1 -10.702  16.441  -4.599
    7    H    ARG   2           H        ARG   2  -9.446  13.727  -3.813
    8    HA   ARG   2           HA       ARG   2  -7.450  13.108  -5.672
    9   1HB   ARG   2          2HB       ARG   2  -7.402  15.504  -6.121
   10   2HB   ARG   2          1HB       ARG   2  -7.165  15.838  -4.411
   11   1HG   ARG   2          2HG       ARG   2  -4.970  15.356  -4.482
   12   2HG   ARG   2          1HG       ARG   2  -5.186  14.039  -5.638
   13   1HD   ARG   2          2HD       ARG   2  -5.635  15.828  -7.376
   14   2HD   ARG   2          1HD       ARG   2  -5.054  16.994  -6.188
   15    HE   ARG   2           HE       ARG   2  -3.474  15.155  -7.730
   16   1HH1  ARG   2          1HH1      ARG   2  -3.605  17.065  -4.813
   17   2HH1  ARG   2          2HH1      ARG   2  -1.884  17.147  -4.640
   18   1HH2  ARG   2          1HH2      ARG   2  -1.210  15.260  -7.504
   19   2HH2  ARG   2          2HH2      ARG   2  -0.524  16.122  -6.169
   20    H    ASP   3           H        ASP   3  -6.704  11.470  -4.511
   21    HA   ASP   3           HA       ASP   3  -5.641  12.040  -1.833
   22   1HB   ASP   3          2HB       ASP   3  -7.931  10.578  -2.195
   23   2HB   ASP   3          1HB       ASP   3  -6.703   9.318  -2.168
   24    H    SER   4           H        SER   4  -5.837   9.158  -3.921
   25    HA   SER   4           HA       SER   4  -4.241   7.735  -4.696
   26   1HB   SER   4          2HB       SER   4  -3.038  10.435  -4.994
   27   2HB   SER   4          1HB       SER   4  -1.949   9.057  -5.161
   28    HG   SER   4           HG       SER   4  -2.709   8.955  -7.112
   29    H    CYS   5           H        CYS   5  -3.809   6.329  -3.077
   30    HA   CYS   5           HA       CYS   5  -2.267   7.048  -0.774
   31   1HB   CYS   5          2HB       CYS   5  -4.092   5.262  -0.899
   32   2HB   CYS   5          1HB       CYS   5  -2.889   4.239  -1.677
   33    H    VAL   6           H        VAL   6  -1.533   5.899  -3.932
   34    HA   VAL   6           HA       VAL   6   0.763   4.432  -3.638
   35    HB   VAL   6           HB       VAL   6   0.457   6.578  -5.708
   36   1HG1  VAL   6          1HG1      VAL   6   1.598   4.568  -7.010
   37   2HG1  VAL   6          2HG1      VAL   6   2.170   4.185  -5.386
   38   3HG1  VAL   6          3HG1      VAL   6   2.538   5.755  -6.103
   39   1HG2  VAL   6          1HG2      VAL   6  -1.303   5.534  -6.573
   40   2HG2  VAL   6          2HG2      VAL   6  -1.297   4.418  -5.208
   41   3HG2  VAL   6          3HG2      VAL   6  -0.386   4.031  -6.668
   42    H    ASP   7           H        ASP   7   0.603   7.977  -3.936
   43    HA   ASP   7           HA       ASP   7   3.388   8.216  -3.172
   44   1HB   ASP   7          2HB       ASP   7   1.617   9.764  -4.697
   45   2HB   ASP   7          1HB       ASP   7   1.949  10.729  -3.262
   46    H    LYS   8           H        LYS   8   0.241   8.566  -1.729
   47    HA   LYS   8           HA       LYS   8   0.990  10.116   0.512
   48   1HB   LYS   8          2HB       LYS   8  -1.369   9.529  -0.408
   49   2HB   LYS   8          1HB       LYS   8  -1.225   8.091   0.593
   50   1HG   LYS   8          2HG       LYS   8  -1.316   9.281   2.555
   51   2HG   LYS   8          1HG       LYS   8  -0.717  10.762   1.810
   52   1HD   LYS   8          2HD       LYS   8  -3.366   9.640   0.992
   53   2HD   LYS   8          1HD       LYS   8  -3.226  10.577   2.481
   54   1HE   LYS   8          2HE       LYS   8  -2.616  12.515   1.353
   55   2HE   LYS   8          1HE       LYS   8  -2.111  11.633  -0.088
   56   1HZ   LYS   8          1HZ       LYS   8  -4.165  12.740  -0.531
   57   2HZ   LYS   8          2HZ       LYS   8  -4.897  12.072   0.840
   58   3HZ   LYS   8          3HZ       LYS   8  -4.474  11.078  -0.462
   59    H    SER   9           H        SER   9   0.147   6.647   0.463
   60    HA   SER   9           HA       SER   9   1.646   6.239   2.910
   61   1HB   SER   9          2HB       SER   9  -0.579   5.154   2.497
   62   2HB   SER   9          1HB       SER   9   0.187   4.180   1.242
   63    HG   SER   9           HG       SER   9   0.284   2.963   3.059
   64    H    ARG  10           H        ARG  10   3.323   4.683   3.143
   65    HA   ARG  10           HA       ARG  10   5.091   4.603   0.848
   66   1HB   ARG  10          2HB       ARG  10   5.544   4.971   3.506
   67   2HB   ARG  10          1HB       ARG  10   5.922   3.262   3.339
   68   1HG   ARG  10          2HG       ARG  10   7.355   4.055   1.320
   69   2HG   ARG  10          1HG       ARG  10   7.264   5.627   2.114
   70   1HD   ARG  10          2HD       ARG  10   8.123   3.134   3.558
   71   2HD   ARG  10          1HD       ARG  10   9.262   4.165   2.693
   72    HE   ARG  10           HE       ARG  10   7.980   5.905   4.309
   73   1HH1  ARG  10          1HH1      ARG  10   9.579   2.858   4.895
   74   2HH1  ARG  10          2HH1      ARG  10  10.052   3.275   6.508
   75   1HH2  ARG  10          1HH2      ARG  10   8.603   6.455   6.429
   76   2HH2  ARG  10          2HH2      ARG  10   9.498   5.317   7.379
   77    H    CYS  11           H        CYS  11   6.540   2.295   1.384
   78    HA   CYS  11           HA       CYS  11   4.960  -0.034   1.601
   79   1HB   CYS  11          2HB       CYS  11   4.348   1.057  -0.719
   80   2HB   CYS  11          1HB       CYS  11   5.875   0.347  -1.225
   81    H    ALA  12           H        ALA  12   6.242  -1.993   0.686
   82    HA   ALA  12           HA       ALA  12   8.987  -1.672   1.585
   83   1HB   ALA  12          1HB       ALA  12   8.422  -3.622   2.524
   84   2HB   ALA  12          2HB       ALA  12   8.681  -4.324   0.926
   85   3HB   ALA  12          3HB       ALA  12   7.057  -3.854   1.429
   86    H    LYS  13           H        LYS  13  10.550  -3.282   0.302
   87    HA   LYS  13           HA       LYS  13  11.283  -2.089  -2.041
   88   1HB   LYS  13          2HB       LYS  13  12.652  -3.717  -0.762
   89   2HB   LYS  13          1HB       LYS  13  11.662  -5.017  -1.408
   90   1HG   LYS  13          2HG       LYS  13  12.491  -4.741  -3.567
   91   2HG   LYS  13          1HG       LYS  13  13.111  -3.125  -3.219
   92   1HD   LYS  13          2HD       LYS  13  14.618  -4.347  -1.500
   93   2HD   LYS  13          1HD       LYS  13  14.224  -5.792  -2.432
   94   1HE   LYS  13          2HE       LYS  13  15.513  -3.272  -3.473
   95   2HE   LYS  13          1HE       LYS  13  16.301  -4.830  -3.226
   96   1HZ   LYS  13          1HZ       LYS  13  14.944  -5.792  -4.933
   97   2HZ   LYS  13          2HZ       LYS  13  15.681  -4.404  -5.557
   98   3HZ   LYS  13          3HZ       LYS  13  14.051  -4.365  -5.107
   99    H    TYR  14           H        TYR  14   9.144  -4.904  -1.709
  100    HA   TYR  14           HA       TYR  14   7.479  -4.279  -3.812
  101   1HB   TYR  14          2HB       TYR  14   8.335  -6.161  -5.422
  102   2HB   TYR  14          1HB       TYR  14   9.023  -4.545  -5.509
  103    HD1  TYR  14           1HD      TYR  14   9.855  -6.931  -2.821
  104    HD2  TYR  14           2HD      TYR  14  11.084  -5.226  -6.520
  105    HE1  TYR  14           1HE      TYR  14  12.099  -7.883  -2.507
  106    HE2  TYR  14           2HE      TYR  14  13.333  -6.173  -6.216
  107    HH   TYR  14           HH       TYR  14  14.338  -7.606  -3.237
  108    H    GLY  15           H        GLY  15   6.134  -6.174  -4.551
  109   1HA   GLY  15          2HA       GLY  15   5.433  -8.450  -4.161
  110   2HA   GLY  15          1HA       GLY  15   6.193  -8.367  -2.579
  111    H    TYR  16           H        TYR  16   4.594  -8.685  -1.170
  112    HA   TYR  16           HA       TYR  16   2.094  -7.181  -1.528
  113   1HB   TYR  16          2HB       TYR  16   2.069  -9.731  -1.336
  114   2HB   TYR  16          1HB       TYR  16   2.506  -9.500   0.353
  115    HD1  TYR  16           1HD      TYR  16   0.933  -7.708   1.601
  116    HD2  TYR  16           2HD      TYR  16  -0.167 -10.001  -1.809
  117    HE1  TYR  16           1HE      TYR  16  -1.439  -7.413   2.177
  118    HE2  TYR  16           2HE      TYR  16  -2.542  -9.714  -1.244
  119    HH   TYR  16           HH       TYR  16  -3.663  -8.875   1.620
  120    H    TYR  17           H        TYR  17   1.379  -5.785  -0.006
  121    HA   TYR  17           HA       TYR  17   2.887  -5.559   2.502
  122   1HB   TYR  17          2HB       TYR  17   3.427  -3.843   0.527
  123   2HB   TYR  17          1HB       TYR  17   2.010  -3.036   1.185
  124    HD1  TYR  17           1HD      TYR  17   2.875  -1.132   2.222
  125    HD2  TYR  17           2HD      TYR  17   4.672  -4.910   2.992
  126    HE1  TYR  17           1HE      TYR  17   4.271  -0.105   3.967
  127    HE2  TYR  17           2HE      TYR  17   6.072  -3.895   4.741
  128    HH   TYR  17           HH       TYR  17   5.515  -0.741   5.942
  129    H    GLN  18           H        GLN  18   1.415  -6.053   3.987
  130    HA   GLN  18           HA       GLN  18  -1.302  -6.039   3.839
  131   1HB   GLN  18          2HB       GLN  18   0.315  -6.805   5.735
  132   2HB   GLN  18          1HB       GLN  18   0.006  -5.209   6.403
  133   1HG   GLN  18          2HG       GLN  18  -2.001  -5.795   7.152
  134   2HG   GLN  18          1HG       GLN  18  -2.434  -6.572   5.630
  135   1HE2  GLN  18          1HE2      GLN  18  -3.131  -8.531   6.104
  136   2HE2  GLN  18          2HE2      GLN  18  -2.336  -9.669   7.133
  137    H    GLU  19           H        GLU  19   0.766  -3.297   4.631
  138    HA   GLU  19           HA       GLU  19  -1.251  -1.529   5.471
  139   1HB   GLU  19          2HB       GLU  19   1.553  -1.273   4.537
  140   2HB   GLU  19          1HB       GLU  19   0.562   0.178   4.463
  141   1HG   GLU  19          2HG       GLU  19   0.081  -0.002   6.834
  142   2HG   GLU  19          1HG       GLU  19   1.013  -1.496   6.923
  143    H    CYS  20           H        CYS  20   0.203  -2.059   2.275
  144    HA   CYS  20           HA       CYS  20  -1.181  -0.060   0.901
  145   1HB   CYS  20          2HB       CYS  20   0.733  -1.852   0.221
  146   2HB   CYS  20          1HB       CYS  20  -0.662  -2.560  -0.586
  147    H    GLN  21           H        GLN  21  -1.974  -3.527   1.191
  148    HA   GLN  21           HA       GLN  21  -4.351  -3.482  -0.249
  149   1HB   GLN  21          2HB       GLN  21  -4.915  -5.556   0.856
  150   2HB   GLN  21          1HB       GLN  21  -3.193  -5.539   0.507
  151   1HG   GLN  21          2HG       GLN  21  -2.615  -5.254   2.736
  152   2HG   GLN  21          1HG       GLN  21  -4.225  -4.701   3.185
  153   1HE2  GLN  21          1HE2      GLN  21  -5.892  -6.537   2.277
  154   2HE2  GLN  21          2HE2      GLN  21  -5.562  -8.093   2.953
  155    H    ASP  22           H        ASP  22  -3.712  -2.618   3.095
  156    HA   ASP  22           HA       ASP  22  -6.409  -2.450   3.939
  157   1HB   ASP  22          2HB       ASP  22  -4.450  -2.585   5.476
  158   2HB   ASP  22          1HB       ASP  22  -4.027  -0.936   5.028
  159    H    CYS  23           H        CYS  23  -4.204  -0.167   2.427
  160    HA   CYS  23           HA       CYS  23  -5.814   2.133   2.772
  161   1HB   CYS  23          2HB       CYS  23  -3.280   1.781   2.008
  162   2HB   CYS  23          1HB       CYS  23  -4.026   1.944   0.427
  163    H    CYS  24           H        CYS  24  -5.156   0.278  -0.197
  164    HA   CYS  24           HA       CYS  24  -6.977   1.438  -1.872
  165   1HB   CYS  24          2HB       CYS  24  -5.259  -0.423  -2.321
  166   2HB   CYS  24          1HB       CYS  24  -6.536  -1.537  -1.856
  167    H    LYS  25           H        LYS  25  -7.567  -1.330   0.287
  168    HA   LYS  25           HA       LYS  25 -10.238  -1.800  -0.306
  169   1HB   LYS  25          2HB       LYS  25  -8.386  -2.474   1.806
  170   2HB   LYS  25          1HB       LYS  25  -9.981  -2.160   2.472
  171   1HG   LYS  25          2HG       LYS  25 -10.866  -3.771   0.727
  172   2HG   LYS  25          1HG       LYS  25  -9.185  -4.222   0.445
  173   1HD   LYS  25          2HD       LYS  25 -10.794  -4.521   2.971
  174   2HD   LYS  25          1HD       LYS  25 -10.037  -5.789   2.005
  175   1HE   LYS  25          2HE       LYS  25  -8.562  -5.596   3.770
  176   2HE   LYS  25          1HE       LYS  25  -7.830  -4.528   2.573
  177   1HZ   LYS  25          1HZ       LYS  25  -8.326  -2.688   3.775
  178   2HZ   LYS  25          2HZ       LYS  25  -8.249  -3.785   5.062
  179   3HZ   LYS  25          3HZ       LYS  25  -9.749  -3.338   4.422
  180    H    ASN  26           H        ASN  26  -8.854   0.352   2.158
  181    HA   ASN  26           HA       ASN  26 -11.231   1.345   3.210
  182   1HB   ASN  26          2HB       ASN  26  -8.532   1.750   3.638
  183   2HB   ASN  26          1HB       ASN  26  -9.082   3.321   3.072
  184   1HD2  ASN  26          1HD2      ASN  26  -8.645   1.436   5.723
  185   2HD2  ASN  26          2HD2      ASN  26  -9.723   2.220   6.820
  186    H    ALA  27           H        ALA  27  -9.612   2.052   0.230
  187    HA   ALA  27           HA       ALA  27 -10.977   4.539  -0.250
  188   1HB   ALA  27          1HB       ALA  27  -9.837   3.070  -2.541
  189   2HB   ALA  27          2HB       ALA  27  -8.709   3.482  -1.249
  190   3HB   ALA  27          3HB       ALA  27  -9.631   4.752  -2.053
  191    H    GLY  28           H        GLY  28 -11.468   1.163  -0.984
  192   1HA   GLY  28          2HA       GLY  28 -13.938   0.671  -1.205
  193   2HA   GLY  28          1HA       GLY  28 -13.890   1.858  -2.497
  194    H    HIS  29           H        HIS  29 -11.446  -0.582  -1.789
  195    HA   HIS  29           HA       HIS  29 -12.228  -2.031  -4.220
  196   1HB   HIS  29          2HB       HIS  29  -9.392  -1.239  -3.549
  197   2HB   HIS  29          1HB       HIS  29  -9.917  -2.129  -4.973
  198    HD1  HIS  29           1HD      HIS  29 -11.995  -0.570  -6.252
  199    HD2  HIS  29           2HD      HIS  29  -8.880   1.315  -4.248
  200    HE1  HIS  29           1HE      HIS  29 -11.898   1.757  -7.198
  201    HE2  HIS  29           2HE      HIS  29  -9.942   2.845  -6.042
  202    H    ASN  30           H        ASN  30  -9.699  -3.652  -3.940
  203    HA   ASN  30           HA       ASN  30 -10.516  -5.230  -1.594
  204   1HB   ASN  30          2HB       ASN  30 -10.635  -6.015  -4.239
  205   2HB   ASN  30          1HB       ASN  30  -9.119  -6.721  -3.687
  206   1HD2  ASN  30          1HD2      ASN  30  -9.809  -7.188  -1.020
  207   2HD2  ASN  30          2HD2      ASN  30 -10.998  -8.440  -0.975
  208    H    GLY  31           H        GLY  31  -7.801  -4.160  -3.604
  209   1HA   GLY  31          2HA       GLY  31  -6.035  -3.873  -1.468
  210   2HA   GLY  31          1HA       GLY  31  -5.780  -5.482  -2.126
  211    H    GLY  32           H        GLY  32  -3.676  -4.950  -2.775
  212   1HA   GLY  32          2HA       GLY  32  -3.493  -3.927  -5.424
  213   2HA   GLY  32          1HA       GLY  32  -2.878  -2.760  -4.264
  214    H    THR  33           H        THR  33  -0.862  -3.085  -5.490
  215    HA   THR  33           HA       THR  33   0.640  -5.354  -4.378
  216    HB   THR  33           HB       THR  33   0.181  -5.895  -6.696
  217    HG1  THR  33           1HG      THR  33   2.848  -4.958  -6.534
  218   1HG2  THR  33          1HG2      THR  33   1.434  -3.246  -7.371
  219   2HG2  THR  33          2HG2      THR  33  -0.243  -3.724  -7.643
  220   3HG2  THR  33          3HG2      THR  33   1.057  -4.519  -8.531
  221    H    CYS  34           H        CYS  34   3.004  -5.002  -4.402
  222    HA   CYS  34           HA       CYS  34   3.620  -2.168  -3.901
  223   1HB   CYS  34          2HB       CYS  34   3.789  -3.919  -2.020
  224   2HB   CYS  34          1HB       CYS  34   5.221  -4.490  -2.862
  225    H    MET  35           H        MET  35   5.002  -1.184  -5.218
  226    HA   MET  35           HA       MET  35   6.919  -2.820  -6.736
  227   1HB   MET  35          2HB       MET  35   4.906  -0.870  -7.726
  228   2HB   MET  35          1HB       MET  35   6.478  -0.874  -8.512
  229   1HG   MET  35          2HG       MET  35   5.217  -3.508  -8.136
  230   2HG   MET  35          1HG       MET  35   4.421  -2.418  -9.269
  231   1HE   MET  35          1HE       MET  35   6.227  -2.978 -12.398
  232   2HE   MET  35          2HE       MET  35   5.048  -2.002 -11.521
  233   3HE   MET  35          3HE       MET  35   4.876  -3.756 -11.572
  234    H    PHE  36           H        PHE  36   8.749  -2.268  -5.643
  235    HA   PHE  36           HA       PHE  36  10.454  -1.008  -4.806
  236   1HB   PHE  36          2HB       PHE  36  10.857  -0.704  -7.167
  237   2HB   PHE  36          1HB       PHE  36   9.682   0.597  -7.237
  238    HD1  PHE  36           1HD      PHE  36  12.467  -0.114  -4.898
  239    HD2  PHE  36           2HD      PHE  36  10.781   2.559  -7.735
  240    HE1  PHE  36           1HE      PHE  36  14.263   1.504  -4.425
  241    HE2  PHE  36           2HE      PHE  36  12.568   4.188  -7.274
  242    HZ   PHE  36           HZ       PHE  36  14.314   3.661  -5.619
  243    H    PHE  37           H        PHE  37   8.653  -0.563  -3.080
  244    HA   PHE  37           HA       PHE  37   7.937   0.862  -1.470
  245   1HB   PHE  37          2HB       PHE  37   9.511   3.020  -2.877
  246   2HB   PHE  37          1HB       PHE  37   9.032   2.972  -1.183
  247    HD1  PHE  37           1HD      PHE  37   9.711   0.040  -0.723
  248    HD2  PHE  37           2HD      PHE  37  11.855   3.221  -2.563
  249    HE1  PHE  37           1HE      PHE  37  11.831  -1.066  -0.151
  250    HE2  PHE  37           2HE      PHE  37  13.982   2.117  -1.997
  251    HZ   PHE  37           HZ       PHE  37  13.969  -0.034  -0.790
  252    H    LYS  38           H        LYS  38   6.702   0.732  -4.317
  253    HA   LYS  38           HA       LYS  38   5.123   3.204  -4.156
  254   1HB   LYS  38          2HB       LYS  38   5.333   1.194  -6.406
  255   2HB   LYS  38          1HB       LYS  38   4.350   2.650  -6.433
  256   1HG   LYS  38          2HG       LYS  38   7.345   2.621  -6.140
  257   2HG   LYS  38          1HG       LYS  38   6.480   2.878  -7.657
  258   1HD   LYS  38          2HD       LYS  38   5.333   4.668  -5.840
  259   2HD   LYS  38          1HD       LYS  38   7.069   4.747  -5.537
  260   1HE   LYS  38          2HE       LYS  38   7.541   5.470  -7.688
  261   2HE   LYS  38          1HE       LYS  38   6.027   4.844  -8.338
  262   1HZ   LYS  38          1HZ       LYS  38   4.837   6.627  -7.501
  263   2HZ   LYS  38          2HZ       LYS  38   6.273   7.359  -8.012
  264   3HZ   LYS  38          3HZ       LYS  38   6.025   7.041  -6.369
  265    H    CYS  39           H        CYS  39   2.930   3.156  -3.860
  266    HA   CYS  39           HA       CYS  39   1.823   0.547  -3.094
  267   1HB   CYS  39          2HB       CYS  39   1.883   2.984  -1.731
  268   2HB   CYS  39          1HB       CYS  39   0.222   2.828  -2.290
  269    H    LYS  40           H        LYS  40   1.086  -0.162  -5.090
  270    HA   LYS  40           HA       LYS  40  -0.895   1.529  -6.450
  271   1HB   LYS  40          2HB       LYS  40   1.158   0.283  -7.583
  272   2HB   LYS  40          1HB       LYS  40   0.032  -1.067  -7.597
  273   1HG   LYS  40          2HG       LYS  40  -0.745  -0.257  -9.509
  274   2HG   LYS  40          1HG       LYS  40  -1.455   1.057  -8.570
  275   1HD   LYS  40          2HD       LYS  40   0.651   2.334  -8.848
  276   2HD   LYS  40          1HD       LYS  40   1.263   1.039  -9.879
  277   1HE   LYS  40          2HE       LYS  40  -1.152   1.570 -11.026
  278   2HE   LYS  40          1HE       LYS  40  -0.666   3.168 -10.464
  279   1HZ   LYS  40          1HZ       LYS  40   1.507   2.743 -11.607
  280   2HZ   LYS  40          2HZ       LYS  40   0.177   2.916 -12.638
  281   3HZ   LYS  40          3HZ       LYS  40   0.801   1.377 -12.314
  282    H    CYS  41           H        CYS  41  -2.857   0.425  -7.281
  283    HA   CYS  41           HA       CYS  41  -3.916  -1.352  -5.229
  284   1HB   CYS  41          2HB       CYS  41  -5.079   0.530  -7.215
  285   2HB   CYS  41          1HB       CYS  41  -6.060  -0.818  -6.691
  286    H    ALA  42           H        ALA  42  -5.877  -2.686  -6.428
  287    HA   ALA  42           HA       ALA  42  -4.467  -4.394  -8.373
  288   1HB   ALA  42          1HB       ALA  42  -4.854  -5.879  -6.711
  289   2HB   ALA  42          2HB       ALA  42  -6.422  -6.005  -7.508
  290   3HB   ALA  42          3HB       ALA  42  -6.237  -4.985  -6.082
  Start of MODEL    4
    1   1H    ASP   1          1HT       ASP   1 -11.129  11.874  -3.418
    2   2H    ASP   1          2HT       ASP   1 -12.521  12.872  -3.322
    3   3H    ASP   1          3HT       ASP   1 -10.981  13.571  -3.615
    4    HA   ASP   1           HA       ASP   1 -12.627  11.915  -5.389
    5   1HB   ASP   1          2HB       ASP   1 -11.398  14.676  -5.501
    6   2HB   ASP   1          1HB       ASP   1 -12.146  13.894  -6.891
    7    H    ARG   2           H        ARG   2  -9.380  13.214  -4.813
    8    HA   ARG   2           HA       ARG   2  -8.315  11.138  -6.595
    9   1HB   ARG   2          2HB       ARG   2  -7.745  14.087  -6.674
   10   2HB   ARG   2          1HB       ARG   2  -6.543  12.929  -7.229
   11   1HG   ARG   2          2HG       ARG   2  -8.058  12.083  -8.899
   12   2HG   ARG   2          1HG       ARG   2  -9.353  13.115  -8.292
   13   1HD   ARG   2          2HD       ARG   2  -8.086  13.892 -10.373
   14   2HD   ARG   2          1HD       ARG   2  -8.331  15.062  -9.080
   15    HE   ARG   2           HE       ARG   2  -5.814  13.847  -9.894
   16   1HH1  ARG   2          1HH1      ARG   2  -7.516  15.846  -7.585
   17   2HH1  ARG   2          2HH1      ARG   2  -6.072  16.584  -6.979
   18   1HH2  ARG   2          1HH2      ARG   2  -3.923  14.820  -9.093
   19   2HH2  ARG   2          2HH2      ARG   2  -4.036  16.003  -7.833
   20    H    ASP   3           H        ASP   3  -8.400  10.699  -3.970
   21    HA   ASP   3           HA       ASP   3  -6.308  11.677  -2.393
   22   1HB   ASP   3          2HB       ASP   3  -8.233  10.394  -1.513
   23   2HB   ASP   3          1HB       ASP   3  -7.594   8.939  -2.272
   24    H    SER   4           H        SER   4  -6.429   8.405  -3.808
   25    HA   SER   4           HA       SER   4  -4.804   7.040  -4.626
   26   1HB   SER   4          2HB       SER   4  -4.431   9.382  -5.925
   27   2HB   SER   4          1HB       SER   4  -2.867   9.226  -5.125
   28    HG   SER   4           HG       SER   4  -3.502   8.108  -7.333
   29    H    CYS   5           H        CYS   5  -4.054   5.865  -2.961
   30    HA   CYS   5           HA       CYS   5  -2.454   6.973  -0.865
   31   1HB   CYS   5          2HB       CYS   5  -4.048   4.854  -0.920
   32   2HB   CYS   5          1HB       CYS   5  -2.553   4.031  -1.348
   33    H    VAL   6           H        VAL   6  -1.756   5.843  -3.994
   34    HA   VAL   6           HA       VAL   6   0.687   4.599  -3.791
   35    HB   VAL   6           HB       VAL   6   0.041   6.636  -5.892
   36   1HG1  VAL   6          1HG1      VAL   6   1.958   4.361  -5.678
   37   2HG1  VAL   6          2HG1      VAL   6   2.225   6.003  -6.268
   38   3HG1  VAL   6          3HG1      VAL   6   1.339   4.843  -7.258
   39   1HG2  VAL   6          1HG2      VAL   6  -1.647   5.385  -6.609
   40   2HG2  VAL   6          2HG2      VAL   6  -1.423   4.306  -5.233
   41   3HG2  VAL   6          3HG2      VAL   6  -0.571   3.993  -6.745
   42    H    ASP   7           H        ASP   7  -0.064   7.994  -3.432
   43    HA   ASP   7           HA       ASP   7   2.786   8.522  -2.888
   44   1HB   ASP   7          2HB       ASP   7   1.417   9.714  -4.849
   45   2HB   ASP   7          1HB       ASP   7   0.943  10.772  -3.523
   46    H    LYS   8           H        LYS   8   0.801   7.514  -1.016
   47    HA   LYS   8           HA       LYS   8   0.879   9.726   0.921
   48   1HB   LYS   8          2HB       LYS   8  -1.440   9.039  -0.128
   49   2HB   LYS   8          1HB       LYS   8  -1.334   7.721   1.030
   50   1HG   LYS   8          2HG       LYS   8  -2.432   9.210   2.323
   51   2HG   LYS   8          1HG       LYS   8  -0.785   9.738   2.674
   52   1HD   LYS   8          2HD       LYS   8  -1.852  11.734   2.174
   53   2HD   LYS   8          1HD       LYS   8  -1.119  11.300   0.629
   54   1HE   LYS   8          2HE       LYS   8  -3.181  11.659  -0.189
   55   2HE   LYS   8          1HE       LYS   8  -3.516  10.045   0.438
   56   1HZ   LYS   8          1HZ       LYS   8  -3.829  12.233   2.324
   57   2HZ   LYS   8          2HZ       LYS   8  -4.783  10.855   2.094
   58   3HZ   LYS   8          3HZ       LYS   8  -4.955  12.184   1.063
   59    H    SER   9           H        SER   9   0.420   6.208   0.593
   60    HA   SER   9           HA       SER   9   1.750   5.857   3.189
   61   1HB   SER   9          2HB       SER   9  -0.555   4.855   2.765
   62   2HB   SER   9          1HB       SER   9   0.240   3.739   1.653
   63    HG   SER   9           HG       SER   9  -0.051   3.310   4.131
   64    H    ARG  10           H        ARG  10   3.738   5.040   3.292
   65    HA   ARG  10           HA       ARG  10   5.330   4.606   1.050
   66   1HB   ARG  10          2HB       ARG  10   5.779   4.948   3.692
   67   2HB   ARG  10          1HB       ARG  10   6.081   3.221   3.553
   68   1HG   ARG  10          2HG       ARG  10   8.157   3.983   3.149
   69   2HG   ARG  10          1HG       ARG  10   7.546   4.021   1.498
   70   1HD   ARG  10          2HD       ARG  10   7.781   6.230   1.385
   71   2HD   ARG  10          1HD       ARG  10   6.928   6.467   2.910
   72    HE   ARG  10           HE       ARG  10   9.229   5.776   3.887
   73   1HH1  ARG  10          1HH1      ARG  10   8.706   7.758   1.054
   74   2HH1  ARG  10          2HH1      ARG  10  10.200   8.613   1.230
   75   1HH2  ARG  10          1HH2      ARG  10  11.188   6.905   4.112
   76   2HH2  ARG  10          2HH2      ARG  10  11.607   8.131   2.962
   77    H    CYS  11           H        CYS  11   6.746   2.275   1.541
   78    HA   CYS  11           HA       CYS  11   5.184  -0.053   1.744
   79   1HB   CYS  11          2HB       CYS  11   4.499   1.068  -0.547
   80   2HB   CYS  11          1HB       CYS  11   6.008   0.359  -1.103
   81    H    ALA  12           H        ALA  12   6.452  -1.989   0.751
   82    HA   ALA  12           HA       ALA  12   9.220  -1.654   1.571
   83   1HB   ALA  12          1HB       ALA  12   8.974  -4.287   0.915
   84   2HB   ALA  12          2HB       ALA  12   7.321  -3.879   1.380
   85   3HB   ALA  12          3HB       ALA  12   8.648  -3.611   2.510
   86    H    LYS  13           H        LYS  13  10.648  -3.408   0.164
   87    HA   LYS  13           HA       LYS  13  11.308  -2.098  -2.180
   88   1HB   LYS  13          2HB       LYS  13  12.530  -3.971  -0.785
   89   2HB   LYS  13          1HB       LYS  13  11.794  -5.034  -1.972
   90   1HG   LYS  13          2HG       LYS  13  13.207  -4.412  -3.590
   91   2HG   LYS  13          1HG       LYS  13  13.137  -2.711  -3.130
   92   1HD   LYS  13          2HD       LYS  13  15.058  -2.856  -2.012
   93   2HD   LYS  13          1HD       LYS  13  14.499  -4.270  -1.117
   94   1HE   LYS  13          2HE       LYS  13  14.983  -5.295  -3.615
   95   2HE   LYS  13          1HE       LYS  13  16.260  -4.090  -3.442
   96   1HZ   LYS  13          1HZ       LYS  13  16.444  -6.576  -2.517
   97   2HZ   LYS  13          2HZ       LYS  13  15.825  -5.808  -1.142
   98   3HZ   LYS  13          3HZ       LYS  13  17.271  -5.268  -1.834
   99    H    TYR  14           H        TYR  14   9.208  -4.921  -1.746
  100    HA   TYR  14           HA       TYR  14   7.432  -4.344  -3.753
  101   1HB   TYR  14          2HB       TYR  14   8.285  -6.201  -5.423
  102   2HB   TYR  14          1HB       TYR  14   8.843  -4.540  -5.558
  103    HD1  TYR  14           1HD      TYR  14   9.888  -7.300  -3.264
  104    HD2  TYR  14           2HD      TYR  14  11.010  -4.611  -6.363
  105    HE1  TYR  14           1HE      TYR  14  12.214  -8.077  -3.087
  106    HE2  TYR  14           2HE      TYR  14  13.340  -5.379  -6.194
  107    HH   TYR  14           HH       TYR  14  14.449  -7.330  -3.608
  108    H    GLY  15           H        GLY  15   6.003  -6.152  -4.316
  109   1HA   GLY  15          2HA       GLY  15   5.445  -8.503  -3.982
  110   2HA   GLY  15          1HA       GLY  15   6.291  -8.421  -2.446
  111    H    TYR  16           H        TYR  16   4.796  -8.808  -0.952
  112    HA   TYR  16           HA       TYR  16   2.172  -7.528  -1.181
  113   1HB   TYR  16          2HB       TYR  16   2.584 -10.060  -0.698
  114   2HB   TYR  16          1HB       TYR  16   2.897  -9.514   0.946
  115    HD1  TYR  16           1HD      TYR  16   1.039  -7.948   1.967
  116    HD2  TYR  16           2HD      TYR  16   0.419 -10.612  -1.292
  117    HE1  TYR  16           1HE      TYR  16  -1.376  -7.944   2.431
  118    HE2  TYR  16           2HE      TYR  16  -1.997 -10.615  -0.838
  119    HH   TYR  16           HH       TYR  16  -3.381  -9.923   1.766
  120    H    TYR  17           H        TYR  17   1.335  -6.194   0.379
  121    HA   TYR  17           HA       TYR  17   2.817  -5.620   2.795
  122   1HB   TYR  17          2HB       TYR  17   3.759  -4.179   0.853
  123   2HB   TYR  17          1HB       TYR  17   2.252  -3.283   0.987
  124    HD1  TYR  17           1HD      TYR  17   2.881  -1.210   1.859
  125    HD2  TYR  17           2HD      TYR  17   4.350  -4.762   3.686
  126    HE1  TYR  17           1HE      TYR  17   3.842   0.132   3.684
  127    HE2  TYR  17           2HE      TYR  17   5.311  -3.431   5.515
  128    HH   TYR  17           HH       TYR  17   4.481  -0.587   6.356
  129    H    GLN  18           H        GLN  18   1.130  -6.029   4.098
  130    HA   GLN  18           HA       GLN  18  -1.546  -5.705   3.658
  131   1HB   GLN  18          2HB       GLN  18  -0.135  -6.612   5.727
  132   2HB   GLN  18          1HB       GLN  18  -0.563  -5.040   6.386
  133   1HG   GLN  18          2HG       GLN  18  -2.939  -5.549   5.973
  134   2HG   GLN  18          1HG       GLN  18  -2.472  -7.152   5.409
  135   1HE2  GLN  18          1HE2      GLN  18  -4.117  -6.216   7.711
  136   2HE2  GLN  18          2HE2      GLN  18  -3.425  -6.986   9.094
  137    H    GLU  19           H        GLU  19   0.773  -3.226   4.452
  138    HA   GLU  19           HA       GLU  19  -1.026  -1.234   5.311
  139   1HB   GLU  19          2HB       GLU  19   1.737  -1.450   4.944
  140   2HB   GLU  19          1HB       GLU  19   1.244  -0.152   3.863
  141   1HG   GLU  19          2HG       GLU  19   0.249   1.057   5.685
  142   2HG   GLU  19          1HG       GLU  19   0.557  -0.282   6.790
  143    H    CYS  20           H        CYS  20   0.357  -1.916   2.111
  144    HA   CYS  20           HA       CYS  20  -0.985   0.176   0.769
  145   1HB   CYS  20          2HB       CYS  20   1.046  -1.135  -0.032
  146   2HB   CYS  20          1HB       CYS  20  -0.074  -2.411  -0.489
  147    H    GLN  21           H        GLN  21  -1.643  -3.332   0.790
  148    HA   GLN  21           HA       GLN  21  -3.992  -3.270  -0.680
  149   1HB   GLN  21          2HB       GLN  21  -4.494  -5.445   0.235
  150   2HB   GLN  21          1HB       GLN  21  -2.771  -5.328  -0.091
  151   1HG   GLN  21          2HG       GLN  21  -2.325  -5.883   1.976
  152   2HG   GLN  21          1HG       GLN  21  -3.213  -4.487   2.574
  153   1HE2  GLN  21          1HE2      GLN  21  -4.858  -4.903   3.861
  154   2HE2  GLN  21          2HE2      GLN  21  -5.732  -6.391   3.951
  155    H    ASP  22           H        ASP  22  -3.458  -2.565   2.700
  156    HA   ASP  22           HA       ASP  22  -6.174  -2.646   3.512
  157   1HB   ASP  22          2HB       ASP  22  -4.313  -2.768   5.118
  158   2HB   ASP  22          1HB       ASP  22  -3.853  -1.118   4.714
  159    H    CYS  23           H        CYS  23  -4.037  -0.016   2.459
  160    HA   CYS  23           HA       CYS  23  -5.805   2.109   2.821
  161   1HB   CYS  23          2HB       CYS  23  -3.258   1.943   2.051
  162   2HB   CYS  23          1HB       CYS  23  -4.004   2.155   0.479
  163    H    CYS  24           H        CYS  24  -5.044   0.475  -0.249
  164    HA   CYS  24           HA       CYS  24  -6.937   1.625  -1.862
  165   1HB   CYS  24          2HB       CYS  24  -5.139  -0.047  -2.506
  166   2HB   CYS  24          1HB       CYS  24  -6.248  -1.312  -1.988
  167    H    LYS  25           H        LYS  25  -7.368  -1.418  -0.053
  168    HA   LYS  25           HA       LYS  25 -10.028  -1.881  -0.672
  169   1HB   LYS  25          2HB       LYS  25  -8.710  -3.571   0.399
  170   2HB   LYS  25          1HB       LYS  25  -8.423  -2.545   1.794
  171   1HG   LYS  25          2HG       LYS  25 -11.139  -2.692   1.789
  172   2HG   LYS  25          1HG       LYS  25 -10.694  -4.278   1.158
  173   1HD   LYS  25          2HD       LYS  25 -10.100  -4.966   3.186
  174   2HD   LYS  25          1HD       LYS  25  -8.988  -3.610   3.361
  175   1HE   LYS  25          2HE       LYS  25 -11.859  -3.009   3.700
  176   2HE   LYS  25          1HE       LYS  25 -11.113  -3.995   4.956
  177   1HZ   LYS  25          1HZ       LYS  25  -9.641  -1.624   4.132
  178   2HZ   LYS  25          2HZ       LYS  25  -9.855  -2.285   5.675
  179   3HZ   LYS  25          3HZ       LYS  25 -11.079  -1.348   4.980
  180    H    ASN  26           H        ASN  26  -8.617   0.302   1.672
  181    HA   ASN  26           HA       ASN  26 -11.064   0.842   3.058
  182   1HB   ASN  26          2HB       ASN  26  -8.376   1.340   3.524
  183   2HB   ASN  26          1HB       ASN  26  -9.046   2.938   3.231
  184   1HD2  ASN  26          1HD2      ASN  26  -8.552   0.542   5.498
  185   2HD2  ASN  26          2HD2      ASN  26  -9.621   1.117   6.726
  186    H    ALA  27           H        ALA  27  -9.554   2.022   0.185
  187    HA   ALA  27           HA       ALA  27 -10.965   4.525   0.113
  188   1HB   ALA  27          1HB       ALA  27  -9.693   5.014  -1.686
  189   2HB   ALA  27          2HB       ALA  27  -9.911   3.421  -2.408
  190   3HB   ALA  27          3HB       ALA  27  -8.735   3.649  -1.115
  191    H    GLY  28           H        GLY  28 -11.262   1.411  -1.554
  192   1HA   GLY  28          2HA       GLY  28 -13.925   1.070  -1.583
  193   2HA   GLY  28          1HA       GLY  28 -13.700   2.239  -2.875
  194    H    HIS  29           H        HIS  29 -11.508  -0.391  -2.012
  195    HA   HIS  29           HA       HIS  29 -12.314  -1.850  -4.415
  196   1HB   HIS  29          2HB       HIS  29  -9.436  -1.138  -3.822
  197   2HB   HIS  29          1HB       HIS  29 -10.031  -2.031  -5.217
  198    HD1  HIS  29           1HD      HIS  29 -12.018  -0.450  -6.541
  199    HD2  HIS  29           2HD      HIS  29  -8.909   1.416  -4.511
  200    HE1  HIS  29           1HE      HIS  29 -11.874   1.865  -7.513
  201    HE2  HIS  29           2HE      HIS  29  -9.925   2.942  -6.334
  202    H    ASN  30           H        ASN  30  -9.891  -3.567  -4.157
  203    HA   ASN  30           HA       ASN  30 -10.764  -5.082  -1.795
  204   1HB   ASN  30          2HB       ASN  30  -9.331  -6.190  -4.211
  205   2HB   ASN  30          1HB       ASN  30 -10.135  -7.094  -2.932
  206   1HD2  ASN  30          1HD2      ASN  30 -12.518  -6.024  -2.658
  207   2HD2  ASN  30          2HD2      ASN  30 -13.424  -6.077  -4.128
  208    H    GLY  31           H        GLY  31  -7.932  -4.037  -3.643
  209   1HA   GLY  31          2HA       GLY  31  -6.317  -3.608  -1.417
  210   2HA   GLY  31          1HA       GLY  31  -6.003  -5.248  -1.962
  211    H    GLY  32           H        GLY  32  -3.876  -4.759  -2.520
  212   1HA   GLY  32          2HA       GLY  32  -3.545  -3.806  -5.195
  213   2HA   GLY  32          1HA       GLY  32  -2.928  -2.657  -4.018
  214    H    THR  33           H        THR  33  -0.878  -3.081  -5.149
  215    HA   THR  33           HA       THR  33   0.517  -5.311  -3.862
  216    HB   THR  33           HB       THR  33   0.122  -6.239  -5.999
  217    HG1  THR  33           1HG      THR  33   2.177  -6.417  -6.801
  218   1HG2  THR  33          1HG2      THR  33   0.103  -3.545  -6.914
  219   2HG2  THR  33          2HG2      THR  33  -0.397  -5.012  -7.755
  220   3HG2  THR  33          3HG2      THR  33   1.278  -4.468  -7.852
  221    H    CYS  34           H        CYS  34   2.878  -5.053  -3.886
  222    HA   CYS  34           HA       CYS  34   3.589  -2.219  -3.668
  223   1HB   CYS  34          2HB       CYS  34   3.926  -3.952  -1.770
  224   2HB   CYS  34          1HB       CYS  34   5.306  -4.490  -2.718
  225    H    MET  35           H        MET  35   4.957  -1.276  -5.039
  226    HA   MET  35           HA       MET  35   6.686  -2.960  -6.711
  227   1HB   MET  35          2HB       MET  35   4.610  -1.004  -7.568
  228   2HB   MET  35          1HB       MET  35   6.100  -1.075  -8.498
  229   1HG   MET  35          2HG       MET  35   5.737  -3.513  -8.789
  230   2HG   MET  35          1HG       MET  35   4.178  -3.330  -7.988
  231   1HE   MET  35          1HE       MET  35   2.078  -3.304  -9.480
  232   2HE   MET  35          2HE       MET  35   3.178  -4.553 -10.068
  233   3HE   MET  35          3HE       MET  35   2.337  -3.508 -11.213
  234    H    PHE  36           H        PHE  36   8.555  -2.363  -5.648
  235    HA   PHE  36           HA       PHE  36  10.302  -1.072  -4.967
  236   1HB   PHE  36          2HB       PHE  36  10.636  -0.938  -7.352
  237   2HB   PHE  36          1HB       PHE  36   9.469   0.365  -7.481
  238    HD1  PHE  36           1HD      PHE  36  12.674  -0.481  -5.835
  239    HD2  PHE  36           2HD      PHE  36  10.216   2.558  -7.498
  240    HE1  PHE  36           1HE      PHE  36  14.502   1.143  -5.543
  241    HE2  PHE  36           2HE      PHE  36  12.034   4.193  -7.213
  242    HZ   PHE  36           HZ       PHE  36  14.182   3.486  -6.234
  243    H    PHE  37           H        PHE  37   8.601  -0.488  -3.207
  244    HA   PHE  37           HA       PHE  37   7.910   1.045  -1.690
  245   1HB   PHE  37          2HB       PHE  37   9.510   3.099  -3.211
  246   2HB   PHE  37          1HB       PHE  37   9.102   3.094  -1.498
  247    HD1  PHE  37           1HD      PHE  37   9.743   0.211  -0.917
  248    HD2  PHE  37           2HD      PHE  37  11.857   3.194  -3.093
  249    HE1  PHE  37           1HE      PHE  37  11.862  -0.933  -0.416
  250    HE2  PHE  37           2HE      PHE  37  13.982   2.054  -2.597
  251    HZ   PHE  37           HZ       PHE  37  13.984  -0.016  -1.258
  252    H    LYS  38           H        LYS  38   6.622   0.787  -4.493
  253    HA   LYS  38           HA       LYS  38   5.062   3.284  -4.369
  254   1HB   LYS  38          2HB       LYS  38   5.313   1.381  -6.705
  255   2HB   LYS  38          1HB       LYS  38   4.446   2.908  -6.693
  256   1HG   LYS  38          2HG       LYS  38   6.756   3.916  -6.064
  257   2HG   LYS  38          1HG       LYS  38   7.387   2.408  -6.728
  258   1HD   LYS  38          2HD       LYS  38   7.338   3.521  -8.683
  259   2HD   LYS  38          1HD       LYS  38   5.618   3.125  -8.657
  260   1HE   LYS  38          2HE       LYS  38   6.375   5.553  -7.177
  261   2HE   LYS  38          1HE       LYS  38   6.613   5.633  -8.922
  262   1HZ   LYS  38          1HZ       LYS  38   4.463   6.168  -8.982
  263   2HZ   LYS  38          2HZ       LYS  38   4.172   5.629  -7.406
  264   3HZ   LYS  38          3HZ       LYS  38   4.153   4.530  -8.690
  265    H    CYS  39           H        CYS  39   3.084   3.113  -3.574
  266    HA   CYS  39           HA       CYS  39   1.918   0.480  -3.187
  267   1HB   CYS  39          2HB       CYS  39   1.922   2.026  -1.302
  268   2HB   CYS  39          1HB       CYS  39   1.022   3.210  -2.243
  269    H    LYS  40           H        LYS  40   1.028  -0.257  -5.036
  270    HA   LYS  40           HA       LYS  40  -0.864   1.496  -6.453
  271   1HB   LYS  40          2HB       LYS  40   1.162   0.203  -7.577
  272   2HB   LYS  40          1HB       LYS  40   0.012  -1.127  -7.580
  273   1HG   LYS  40          2HG       LYS  40  -1.393  -0.089  -9.074
  274   2HG   LYS  40          1HG       LYS  40  -0.819   1.526  -8.656
  275   1HD   LYS  40          2HD       LYS  40   1.387   0.886  -9.697
  276   2HD   LYS  40          1HD       LYS  40   0.589  -0.567 -10.303
  277   1HE   LYS  40          2HE       LYS  40  -0.299   2.260 -10.870
  278   2HE   LYS  40          1HE       LYS  40   0.668   1.267 -11.963
  279   1HZ   LYS  40          1HZ       LYS  40  -1.106  -0.215 -12.277
  280   2HZ   LYS  40          2HZ       LYS  40  -1.803   1.323 -12.382
  281   3HZ   LYS  40          3HZ       LYS  40  -1.986   0.406 -10.972
  282    H    CYS  41           H        CYS  41  -2.842   0.416  -7.298
  283    HA   CYS  41           HA       CYS  41  -3.978  -1.264  -5.218
  284   1HB   CYS  41          2HB       CYS  41  -5.059   0.488  -7.372
  285   2HB   CYS  41          1HB       CYS  41  -6.069  -0.802  -6.761
  286    H    ALA  42           H        ALA  42  -5.898  -2.660  -6.406
  287    HA   ALA  42           HA       ALA  42  -4.714  -4.202  -8.593
  288   1HB   ALA  42          1HB       ALA  42  -3.964  -5.670  -7.041
  289   2HB   ALA  42          2HB       ALA  42  -5.624  -6.258  -7.138
  290   3HB   ALA  42          3HB       ALA  42  -5.149  -5.169  -5.834
  Start of MODEL    5
    1   1H    ASP   1          1HT       ASP   1  -3.801  10.750  -8.541
    2   2H    ASP   1          2HT       ASP   1  -3.292  12.166  -9.368
    3   3H    ASP   1          3HT       ASP   1  -4.141  12.295  -7.882
    4    HA   ASP   1           HA       ASP   1  -1.400  11.401  -8.383
    5   1HB   ASP   1          2HB       ASP   1  -2.456  13.823  -7.748
    6   2HB   ASP   1          1HB       ASP   1  -2.175  13.166  -6.138
    7    H    ARG   2           H        ARG   2  -3.884  11.581  -5.828
    8    HA   ARG   2           HA       ARG   2  -2.572   9.282  -4.529
    9   1HB   ARG   2          2HB       ARG   2  -4.280  11.373  -3.177
   10   2HB   ARG   2          1HB       ARG   2  -3.341  10.105  -2.400
   11   1HG   ARG   2          2HG       ARG   2  -1.333  11.180  -2.770
   12   2HG   ARG   2          1HG       ARG   2  -1.971  12.131  -4.112
   13   1HD   ARG   2          2HD       ARG   2  -1.613  13.532  -2.155
   14   2HD   ARG   2          1HD       ARG   2  -3.329  13.429  -2.546
   15    HE   ARG   2           HE       ARG   2  -3.009  11.473  -0.715
   16   1HH1  ARG   2          1HH1      ARG   2  -2.130  14.849  -0.751
   17   2HH1  ARG   2          2HH1      ARG   2  -2.284  15.037   0.963
   18   1HH2  ARG   2          1HH2      ARG   2  -3.211  11.717   1.540
   19   2HH2  ARG   2          2HH2      ARG   2  -2.897  13.259   2.265
   20    H    ASP   3           H        ASP   3  -4.089   8.339  -6.336
   21    HA   ASP   3           HA       ASP   3  -6.812   8.000  -5.302
   22   1HB   ASP   3          2HB       ASP   3  -6.072   8.541  -7.815
   23   2HB   ASP   3          1HB       ASP   3  -5.987   6.783  -7.889
   24    H    SER   4           H        SER   4  -3.845   6.272  -5.933
   25    HA   SER   4           HA       SER   4  -5.103   3.802  -4.933
   26   1HB   SER   4          2HB       SER   4  -2.712   4.166  -6.750
   27   2HB   SER   4          1HB       SER   4  -3.196   2.618  -6.058
   28    HG   SER   4           HG       SER   4  -4.166   2.704  -8.021
   29    H    CYS   5           H        CYS   5  -3.969   6.058  -3.373
   30    HA   CYS   5           HA       CYS   5  -2.652   6.418  -1.551
   31   1HB   CYS   5          2HB       CYS   5  -3.914   4.220  -0.997
   32   2HB   CYS   5          1HB       CYS   5  -2.362   3.440  -1.272
   33    H    VAL   6           H        VAL   6  -1.377   5.963  -4.230
   34    HA   VAL   6           HA       VAL   6   1.061   4.605  -3.928
   35    HB   VAL   6           HB       VAL   6   0.593   6.949  -5.735
   36   1HG1  VAL   6          1HG1      VAL   6   2.788   6.512  -6.066
   37   2HG1  VAL   6          2HG1      VAL   6   2.131   5.274  -7.137
   38   3HG1  VAL   6          3HG1      VAL   6   2.649   4.845  -5.507
   39   1HG2  VAL   6          1HG2      VAL   6   0.241   4.380  -6.993
   40   2HG2  VAL   6          2HG2      VAL   6  -0.830   5.780  -6.983
   41   3HG2  VAL   6          3HG2      VAL   6  -0.907   4.602  -5.674
   42    H    ASP   7           H        ASP   7   0.336   8.085  -3.698
   43    HA   ASP   7           HA       ASP   7   2.948   8.478  -2.427
   44   1HB   ASP   7          2HB       ASP   7   1.940  10.998  -2.806
   45   2HB   ASP   7          1HB       ASP   7   3.024  10.169  -3.912
   46    H    LYS   8           H        LYS   8   0.507   7.391  -1.104
   47    HA   LYS   8           HA       LYS   8   0.181   9.472   0.956
   48   1HB   LYS   8          2HB       LYS   8  -1.794   8.191  -0.500
   49   2HB   LYS   8          1HB       LYS   8  -1.780   7.312   1.020
   50   1HG   LYS   8          2HG       LYS   8  -2.260   9.261   2.265
   51   2HG   LYS   8          1HG       LYS   8  -1.939  10.307   0.880
   52   1HD   LYS   8          2HD       LYS   8  -4.334  10.092   1.254
   53   2HD   LYS   8          1HD       LYS   8  -3.878   9.349  -0.280
   54   1HE   LYS   8          2HE       LYS   8  -4.038   7.163   0.634
   55   2HE   LYS   8          1HE       LYS   8  -4.169   7.790   2.277
   56   1HZ   LYS   8          1HZ       LYS   8  -6.324   8.632   1.819
   57   2HZ   LYS   8          2HZ       LYS   8  -6.301   7.034   1.267
   58   3HZ   LYS   8          3HZ       LYS   8  -6.184   8.311   0.163
   59    H    SER   9           H        SER   9   0.418   5.969   0.425
   60    HA   SER   9           HA       SER   9   1.451   5.703   3.172
   61   1HB   SER   9          2HB       SER   9  -0.678   4.501   2.793
   62   2HB   SER   9          1HB       SER   9   0.082   3.591   1.488
   63    HG   SER   9           HG       SER   9   0.954   3.598   4.189
   64    H    ARG  10           H        ARG  10   3.334   4.555   3.512
   65    HA   ARG  10           HA       ARG  10   5.086   4.332   1.235
   66   1HB   ARG  10          2HB       ARG  10   5.843   5.270   3.396
   67   2HB   ARG  10          1HB       ARG  10   5.580   3.701   4.148
   68   1HG   ARG  10          2HG       ARG  10   7.558   2.975   3.499
   69   2HG   ARG  10          1HG       ARG  10   7.264   3.447   1.827
   70   1HD   ARG  10          2HD       ARG  10   7.785   5.709   3.594
   71   2HD   ARG  10          1HD       ARG  10   9.126   4.567   3.512
   72    HE   ARG  10           HE       ARG  10   8.519   4.917   0.920
   73   1HH1  ARG  10          1HH1      ARG  10   9.077   7.191   3.510
   74   2HH1  ARG  10          2HH1      ARG  10   9.699   8.421   2.462
   75   1HH2  ARG  10          1HH2      ARG  10   9.336   6.534  -0.457
   76   2HH2  ARG  10          2HH2      ARG  10   9.847   8.048   0.209
   77    H    CYS  11           H        CYS  11   6.235   2.437   0.645
   78    HA   CYS  11           HA       CYS  11   5.118  -0.099   1.606
   79   1HB   CYS  11          2HB       CYS  11   4.174   0.822  -0.673
   80   2HB   CYS  11          1HB       CYS  11   5.703   0.234  -1.312
   81    H    ALA  12           H        ALA  12   6.480  -1.982   0.671
   82    HA   ALA  12           HA       ALA  12   9.263  -1.365   1.238
   83   1HB   ALA  12          1HB       ALA  12   9.189  -4.054   0.781
   84   2HB   ALA  12          2HB       ALA  12   7.554  -3.739   1.364
   85   3HB   ALA  12          3HB       ALA  12   8.944  -3.287   2.350
   86    H    LYS  13           H        LYS  13  10.767  -3.030  -0.146
   87    HA   LYS  13           HA       LYS  13  11.200  -1.885  -2.585
   88   1HB   LYS  13          2HB       LYS  13  12.579  -3.638  -1.233
   89   2HB   LYS  13          1HB       LYS  13  11.745  -4.807  -2.244
   90   1HG   LYS  13          2HG       LYS  13  12.790  -4.097  -4.168
   91   2HG   LYS  13          1HG       LYS  13  13.131  -2.494  -3.514
   92   1HD   LYS  13          2HD       LYS  13  15.062  -3.156  -2.564
   93   2HD   LYS  13          1HD       LYS  13  14.398  -4.713  -2.066
   94   1HE   LYS  13          2HE       LYS  13  16.197  -4.973  -3.709
   95   2HE   LYS  13          1HE       LYS  13  14.657  -5.570  -4.323
   96   1HZ   LYS  13          1HZ       LYS  13  14.437  -3.285  -5.379
   97   2HZ   LYS  13          2HZ       LYS  13  15.562  -4.343  -6.068
   98   3HZ   LYS  13          3HZ       LYS  13  16.088  -3.091  -5.060
   99    H    TYR  14           H        TYR  14   9.244  -4.787  -1.966
  100    HA   TYR  14           HA       TYR  14   7.342  -4.265  -3.907
  101   1HB   TYR  14          2HB       TYR  14   8.072  -6.154  -5.543
  102   2HB   TYR  14          1HB       TYR  14   8.771  -4.549  -5.716
  103    HD1  TYR  14           1HD      TYR  14   9.547  -7.488  -3.529
  104    HD2  TYR  14           2HD      TYR  14  10.968  -4.683  -6.394
  105    HE1  TYR  14           1HE      TYR  14  11.796  -8.464  -3.361
  106    HE2  TYR  14           2HE      TYR  14  13.222  -5.651  -6.234
  107    HH   TYR  14           HH       TYR  14  13.858  -8.607  -4.850
  108    H    GLY  15           H        GLY  15   5.923  -6.138  -4.362
  109   1HA   GLY  15          2HA       GLY  15   5.441  -8.491  -3.834
  110   2HA   GLY  15          1HA       GLY  15   6.216  -8.223  -2.282
  111    H    TYR  16           H        TYR  16   4.648  -8.519  -0.825
  112    HA   TYR  16           HA       TYR  16   2.118  -7.062  -1.213
  113   1HB   TYR  16          2HB       TYR  16   2.072  -9.618  -1.141
  114   2HB   TYR  16          1HB       TYR  16   2.476  -9.468   0.565
  115    HD1  TYR  16           1HD      TYR  16   0.898  -7.894   1.956
  116    HD2  TYR  16           2HD      TYR  16  -0.160  -9.669  -1.762
  117    HE1  TYR  16           1HE      TYR  16  -1.481  -7.604   2.503
  118    HE2  TYR  16           2HE      TYR  16  -2.543  -9.384  -1.227
  119    HH   TYR  16           HH       TYR  16  -3.871  -9.167   1.204
  120    H    TYR  17           H        TYR  17   1.541  -5.589   0.256
  121    HA   TYR  17           HA       TYR  17   2.835  -5.610   2.886
  122   1HB   TYR  17          2HB       TYR  17   3.986  -3.994   1.314
  123   2HB   TYR  17          1HB       TYR  17   2.482  -3.085   1.263
  124    HD1  TYR  17           1HD      TYR  17   3.462  -1.070   2.159
  125    HD2  TYR  17           2HD      TYR  17   3.660  -4.718   4.345
  126    HE1  TYR  17           1HE      TYR  17   4.151   0.175   4.167
  127    HE2  TYR  17           2HE      TYR  17   4.344  -3.482   6.355
  128    HH   TYR  17           HH       TYR  17   5.537  -0.494   6.361
  129    H    GLN  18           H        GLN  18   1.197  -5.931   4.234
  130    HA   GLN  18           HA       GLN  18  -1.474  -5.622   3.847
  131   1HB   GLN  18          2HB       GLN  18  -0.049  -6.496   5.902
  132   2HB   GLN  18          1HB       GLN  18  -0.428  -4.904   6.545
  133   1HG   GLN  18          2HG       GLN  18  -2.842  -5.407   6.112
  134   2HG   GLN  18          1HG       GLN  18  -2.357  -7.058   5.728
  135   1HE2  GLN  18          1HE2      GLN  18  -3.099  -8.226   7.369
  136   2HE2  GLN  18          2HE2      GLN  18  -2.771  -7.931   9.039
  137    H    GLU  19           H        GLU  19   0.809  -3.098   4.658
  138    HA   GLU  19           HA       GLU  19  -1.032  -1.123   5.452
  139   1HB   GLU  19          2HB       GLU  19   1.659  -1.259   5.403
  140   2HB   GLU  19          1HB       GLU  19   1.391  -0.258   3.982
  141   1HG   GLU  19          2HG       GLU  19   0.871   1.528   5.202
  142   2HG   GLU  19          1HG       GLU  19  -0.170   0.600   6.279
  143    H    CYS  20           H        CYS  20   0.334  -1.937   2.288
  144    HA   CYS  20           HA       CYS  20  -0.964   0.164   0.889
  145   1HB   CYS  20          2HB       CYS  20   1.075  -1.148   0.127
  146   2HB   CYS  20          1HB       CYS  20  -0.031  -2.447  -0.302
  147    H    GLN  21           H        GLN  21  -1.615  -3.347   0.938
  148    HA   GLN  21           HA       GLN  21  -3.952  -3.314  -0.542
  149   1HB   GLN  21          2HB       GLN  21  -4.476  -5.463   0.447
  150   2HB   GLN  21          1HB       GLN  21  -2.757  -5.366   0.100
  151   1HG   GLN  21          2HG       GLN  21  -2.253  -5.791   2.189
  152   2HG   GLN  21          1HG       GLN  21  -3.246  -4.458   2.762
  153   1HE2  GLN  21          1HE2      GLN  21  -5.746  -5.179   2.209
  154   2HE2  GLN  21          2HE2      GLN  21  -6.172  -6.647   3.014
  155    H    ASP  22           H        ASP  22  -3.448  -2.523   2.825
  156    HA   ASP  22           HA       ASP  22  -6.183  -2.551   3.596
  157   1HB   ASP  22          2HB       ASP  22  -4.310  -2.680   5.215
  158   2HB   ASP  22          1HB       ASP  22  -3.880  -1.018   4.824
  159    H    CYS  23           H        CYS  23  -3.963   0.015   2.565
  160    HA   CYS  23           HA       CYS  23  -5.658   2.198   2.850
  161   1HB   CYS  23          2HB       CYS  23  -3.115   1.889   2.080
  162   2HB   CYS  23          1HB       CYS  23  -3.858   2.132   0.513
  163    H    CYS  24           H        CYS  24  -5.006   0.308  -0.081
  164    HA   CYS  24           HA       CYS  24  -6.804   1.536  -1.785
  165   1HB   CYS  24          2HB       CYS  24  -5.047  -0.204  -2.350
  166   2HB   CYS  24          1HB       CYS  24  -6.208  -1.420  -1.829
  167    H    LYS  25           H        LYS  25  -7.403  -1.553  -0.076
  168    HA   LYS  25           HA       LYS  25 -10.054  -1.859  -0.742
  169   1HB   LYS  25          2HB       LYS  25 -10.264  -3.349   1.123
  170   2HB   LYS  25          1HB       LYS  25  -8.647  -3.530   0.460
  171   1HG   LYS  25          2HG       LYS  25  -7.690  -2.942   2.378
  172   2HG   LYS  25          1HG       LYS  25  -8.749  -1.549   2.577
  173   1HD   LYS  25          2HD       LYS  25 -10.539  -3.186   3.309
  174   2HD   LYS  25          1HD       LYS  25  -9.262  -4.401   3.383
  175   1HE   LYS  25          2HE       LYS  25  -9.412  -3.590   5.570
  176   2HE   LYS  25          1HE       LYS  25  -8.023  -2.745   4.886
  177   1HZ   LYS  25          1HZ       LYS  25  -9.156  -0.769   4.791
  178   2HZ   LYS  25          2HZ       LYS  25  -9.817  -1.438   6.197
  179   3HZ   LYS  25          3HZ       LYS  25 -10.682  -1.500   4.745
  180    H    ASN  26           H        ASN  26  -8.662   0.285   1.636
  181    HA   ASN  26           HA       ASN  26 -11.186   0.914   2.874
  182   1HB   ASN  26          2HB       ASN  26  -8.518   1.230   3.579
  183   2HB   ASN  26          1HB       ASN  26  -9.071   2.873   3.283
  184   1HD2  ASN  26          1HD2      ASN  26  -8.287   1.819   5.785
  185   2HD2  ASN  26          2HD2      ASN  26  -9.662   1.861   6.830
  186    H    ALA  27           H        ALA  27  -9.364   2.024   0.168
  187    HA   ALA  27           HA       ALA  27 -10.565   4.626   0.009
  188   1HB   ALA  27          1HB       ALA  27  -9.469   4.787  -2.154
  189   2HB   ALA  27          2HB       ALA  27  -9.091   3.065  -2.109
  190   3HB   ALA  27          3HB       ALA  27  -8.351   4.161  -0.942
  191    H    GLY  28           H        GLY  28 -11.236   1.446  -1.277
  192   1HA   GLY  28          2HA       GLY  28 -13.796   1.320  -1.618
  193   2HA   GLY  28          1HA       GLY  28 -13.459   2.522  -2.852
  194    H    HIS  29           H        HIS  29 -11.432  -0.252  -2.053
  195    HA   HIS  29           HA       HIS  29 -12.268  -1.583  -4.519
  196   1HB   HIS  29          2HB       HIS  29  -9.355  -1.134  -3.868
  197   2HB   HIS  29          1HB       HIS  29 -10.029  -1.820  -5.341
  198    HD1  HIS  29           1HD      HIS  29 -11.730   0.027  -6.611
  199    HD2  HIS  29           2HD      HIS  29  -8.676   1.459  -4.186
  200    HE1  HIS  29           1HE      HIS  29 -11.370   2.412  -7.322
  201    HE2  HIS  29           2HE      HIS  29  -9.459   3.232  -5.899
  202    H    ASN  30           H        ASN  30  -9.946  -3.432  -4.284
  203    HA   ASN  30           HA       ASN  30 -10.938  -4.981  -1.991
  204   1HB   ASN  30          2HB       ASN  30 -10.579  -5.671  -4.725
  205   2HB   ASN  30          1HB       ASN  30  -9.412  -6.601  -3.789
  206   1HD2  ASN  30          1HD2      ASN  30 -10.549  -7.323  -1.581
  207   2HD2  ASN  30          2HD2      ASN  30 -12.021  -8.192  -1.835
  208    H    GLY  31           H        GLY  31  -7.969  -4.299  -3.843
  209   1HA   GLY  31          2HA       GLY  31  -6.415  -3.986  -1.479
  210   2HA   GLY  31          1HA       GLY  31  -6.128  -5.558  -2.211
  211    H    GLY  32           H        GLY  32  -3.933  -4.871  -2.526
  212   1HA   GLY  32          2HA       GLY  32  -3.551  -3.702  -5.127
  213   2HA   GLY  32          1HA       GLY  32  -2.968  -2.681  -3.823
  214    H    THR  33           H        THR  33  -0.911  -3.021  -5.028
  215    HA   THR  33           HA       THR  33   0.476  -5.345  -3.902
  216    HB   THR  33           HB       THR  33  -0.012  -5.982  -6.183
  217    HG1  THR  33           1HG      THR  33   2.068  -6.501  -5.417
  218   1HG2  THR  33          1HG2      THR  33   1.180  -3.331  -6.923
  219   2HG2  THR  33          2HG2      THR  33  -0.410  -3.974  -7.337
  220   3HG2  THR  33          3HG2      THR  33   1.039  -4.671  -8.061
  221    H    CYS  34           H        CYS  34   2.933  -5.075  -4.300
  222    HA   CYS  34           HA       CYS  34   3.632  -2.276  -3.700
  223   1HB   CYS  34          2HB       CYS  34   3.929  -4.181  -1.942
  224   2HB   CYS  34          1HB       CYS  34   5.338  -4.608  -2.904
  225    H    MET  35           H        MET  35   4.948  -1.260  -5.073
  226    HA   MET  35           HA       MET  35   6.738  -2.858  -6.765
  227   1HB   MET  35          2HB       MET  35   4.561  -1.041  -7.612
  228   2HB   MET  35          1HB       MET  35   6.076  -0.898  -8.494
  229   1HG   MET  35          2HG       MET  35   5.185  -2.505  -9.773
  230   2HG   MET  35          1HG       MET  35   5.778  -3.572  -8.501
  231   1HE   MET  35          1HE       MET  35   3.949  -5.219  -7.075
  232   2HE   MET  35          2HE       MET  35   4.499  -5.424  -8.737
  233   3HE   MET  35          3HE       MET  35   2.792  -5.628  -8.341
  234    H    PHE  36           H        PHE  36   8.652  -2.246  -5.909
  235    HA   PHE  36           HA       PHE  36  10.385  -0.938  -5.210
  236   1HB   PHE  36          2HB       PHE  36  10.566  -0.675  -7.604
  237   2HB   PHE  36          1HB       PHE  36   9.381   0.619  -7.588
  238    HD1  PHE  36           1HD      PHE  36  12.695  -0.284  -6.214
  239    HD2  PHE  36           2HD      PHE  36  10.095   2.821  -7.494
  240    HE1  PHE  36           1HE      PHE  36  14.522   1.345  -5.942
  241    HE2  PHE  36           2HE      PHE  36  11.911   4.461  -7.228
  242    HZ   PHE  36           HZ       PHE  36  14.130   3.724  -6.451
  243    H    PHE  37           H        PHE  37   8.835  -0.466  -3.299
  244    HA   PHE  37           HA       PHE  37   8.206   0.986  -1.678
  245   1HB   PHE  37          2HB       PHE  37   9.658   3.140  -3.210
  246   2HB   PHE  37          1HB       PHE  37   9.380   3.042  -1.474
  247    HD1  PHE  37           1HD      PHE  37  10.115   0.114  -1.147
  248    HD2  PHE  37           2HD      PHE  37  12.012   3.321  -3.203
  249    HE1  PHE  37           1HE      PHE  37  12.291  -0.998  -0.863
  250    HE2  PHE  37           2HE      PHE  37  14.193   2.213  -2.924
  251    HZ   PHE  37           HZ       PHE  37  14.331   0.047  -1.754
  252    H    LYS  38           H        LYS  38   6.693   0.786  -4.336
  253    HA   LYS  38           HA       LYS  38   5.125   3.263  -4.019
  254   1HB   LYS  38          2HB       LYS  38   5.204   1.472  -6.452
  255   2HB   LYS  38          1HB       LYS  38   4.381   3.017  -6.307
  256   1HG   LYS  38          2HG       LYS  38   6.408   4.213  -6.266
  257   2HG   LYS  38          1HG       LYS  38   7.353   2.748  -6.002
  258   1HD   LYS  38          2HD       LYS  38   7.701   3.105  -8.250
  259   2HD   LYS  38          1HD       LYS  38   6.311   2.019  -8.287
  260   1HE   LYS  38          2HE       LYS  38   5.666   4.883  -8.109
  261   2HE   LYS  38          1HE       LYS  38   6.447   4.382  -9.608
  262   1HZ   LYS  38          1HZ       LYS  38   4.617   2.472  -9.345
  263   2HZ   LYS  38          2HZ       LYS  38   4.341   3.910 -10.191
  264   3HZ   LYS  38          3HZ       LYS  38   3.800   3.752  -8.598
  265    H    CYS  39           H        CYS  39   2.958   3.124  -3.665
  266    HA   CYS  39           HA       CYS  39   1.932   0.438  -3.078
  267   1HB   CYS  39          2HB       CYS  39   1.893   1.983  -1.195
  268   2HB   CYS  39          1HB       CYS  39   0.986   3.155  -2.144
  269    H    LYS  40           H        LYS  40   1.071  -0.316  -4.942
  270    HA   LYS  40           HA       LYS  40  -0.807   1.409  -6.401
  271   1HB   LYS  40          2HB       LYS  40   1.178   0.137  -7.517
  272   2HB   LYS  40          1HB       LYS  40   0.130  -1.268  -7.382
  273   1HG   LYS  40          2HG       LYS  40  -1.429  -0.410  -8.867
  274   2HG   LYS  40          1HG       LYS  40  -0.862   1.248  -8.656
  275   1HD   LYS  40          2HD       LYS  40   1.123  -0.657  -9.715
  276   2HD   LYS  40          1HD       LYS  40  -0.241  -0.305 -10.778
  277   1HE   LYS  40          2HE       LYS  40   0.235   2.146 -10.343
  278   2HE   LYS  40          1HE       LYS  40   1.748   1.623  -9.603
  279   1HZ   LYS  40          1HZ       LYS  40   0.977   0.865 -12.361
  280   2HZ   LYS  40          2HZ       LYS  40   2.501   0.748 -11.638
  281   3HZ   LYS  40          3HZ       LYS  40   1.859   2.268 -12.015
  282    H    CYS  41           H        CYS  41  -2.753   0.241  -7.322
  283    HA   CYS  41           HA       CYS  41  -3.931  -1.388  -5.201
  284   1HB   CYS  41          2HB       CYS  41  -4.990   0.498  -7.246
  285   2HB   CYS  41          1HB       CYS  41  -6.034  -0.793  -6.697
  286    H    ALA  42           H        ALA  42  -5.934  -2.656  -6.429
  287    HA   ALA  42           HA       ALA  42  -5.110  -4.014  -8.820
  288   1HB   ALA  42          1HB       ALA  42  -3.735  -5.408  -7.653
  289   2HB   ALA  42          2HB       ALA  42  -5.253  -6.283  -7.459
  290   3HB   ALA  42          3HB       ALA  42  -4.657  -5.250  -6.158
  Start of MODEL    6
    1   1H    ASP   1          1HT       ASP   1 -12.058  14.954  -0.871
    2   2H    ASP   1          2HT       ASP   1 -10.641  13.988  -0.933
    3   3H    ASP   1          3HT       ASP   1 -11.481  14.377  -2.378
    4    HA   ASP   1           HA       ASP   1 -10.918  16.624  -2.208
    5   1HB   ASP   1          2HB       ASP   1 -10.019  15.765   0.526
    6   2HB   ASP   1          1HB       ASP   1  -9.317  17.195  -0.224
    7    H    ARG   2           H        ARG   2  -8.668  14.234  -0.805
    8    HA   ARG   2           HA       ARG   2  -7.143  13.883  -3.118
    9   1HB   ARG   2          2HB       ARG   2  -6.479  16.211  -2.822
   10   2HB   ARG   2          1HB       ARG   2  -5.974  15.877  -1.172
   11   1HG   ARG   2          2HG       ARG   2  -3.938  15.527  -1.973
   12   2HG   ARG   2          1HG       ARG   2  -4.562  14.045  -2.702
   13   1HD   ARG   2          2HD       ARG   2  -5.346  15.782  -4.566
   14   2HD   ARG   2          1HD       ARG   2  -3.961  16.672  -3.937
   15    HE   ARG   2           HE       ARG   2  -3.401  13.916  -4.546
   16   1HH1  ARG   2          1HH1      ARG   2  -3.544  17.165  -5.816
   17   2HH1  ARG   2          2HH1      ARG   2  -2.431  16.843  -7.103
   18   1HH2  ARG   2          1HH2      ARG   2  -1.939  13.492  -6.239
   19   2HH2  ARG   2          2HH2      ARG   2  -1.521  14.759  -7.344
   20    H    ASP   3           H        ASP   3  -6.733  11.823  -2.689
   21    HA   ASP   3           HA       ASP   3  -5.451  11.166  -0.120
   22   1HB   ASP   3          2HB       ASP   3  -7.834  10.092  -1.285
   23   2HB   ASP   3          1HB       ASP   3  -6.615   8.823  -1.230
   24    H    SER   4           H        SER   4  -5.959   9.233  -3.051
   25    HA   SER   4           HA       SER   4  -4.510   8.003  -4.310
   26   1HB   SER   4          2HB       SER   4  -2.992  10.590  -3.973
   27   2HB   SER   4          1HB       SER   4  -2.421   9.286  -5.015
   28    HG   SER   4           HG       SER   4  -4.612   9.452  -5.991
   29    H    CYS   5           H        CYS   5  -4.064   6.306  -2.915
   30    HA   CYS   5           HA       CYS   5  -2.252   6.370  -0.780
   31   1HB   CYS   5          2HB       CYS   5  -3.196   4.086  -2.516
   32   2HB   CYS   5          1HB       CYS   5  -2.184   3.862  -1.093
   33    H    VAL   6           H        VAL   6  -1.762   6.008  -4.211
   34    HA   VAL   6           HA       VAL   6   0.710   4.819  -4.372
   35    HB   VAL   6           HB       VAL   6  -0.081   7.192  -6.025
   36   1HG1  VAL   6          1HG1      VAL   6   1.554   6.625  -7.463
   37   2HG1  VAL   6          2HG1      VAL   6   1.309   4.896  -7.218
   38   3HG1  VAL   6          3HG1      VAL   6   2.247   5.828  -6.051
   39   1HG2  VAL   6          1HG2      VAL   6  -1.200   4.471  -5.915
   40   2HG2  VAL   6          2HG2      VAL   6  -0.838   5.090  -7.527
   41   3HG2  VAL   6          3HG2      VAL   6  -1.932   5.978  -6.465
   42    H    ASP   7           H        ASP   7  -0.056   8.127  -3.467
   43    HA   ASP   7           HA       ASP   7   2.770   8.503  -2.733
   44   1HB   ASP   7          2HB       ASP   7   1.436   9.921  -4.716
   45   2HB   ASP   7          1HB       ASP   7   1.374  10.995  -3.322
   46    H    LYS   8           H        LYS   8   0.727   7.512  -1.047
   47    HA   LYS   8           HA       LYS   8   0.508   9.735   0.874
   48   1HB   LYS   8          2HB       LYS   8  -1.677   8.979  -0.221
   49   2HB   LYS   8          1HB       LYS   8  -1.489   7.486   0.686
   50   1HG   LYS   8          2HG       LYS   8  -1.210   9.200   2.696
   51   2HG   LYS   8          1HG       LYS   8  -2.187  10.204   1.623
   52   1HD   LYS   8          2HD       LYS   8  -3.756   9.073   2.941
   53   2HD   LYS   8          1HD       LYS   8  -3.726   8.163   1.429
   54   1HE   LYS   8          2HE       LYS   8  -3.696   6.567   3.180
   55   2HE   LYS   8          1HE       LYS   8  -2.062   6.621   2.520
   56   1HZ   LYS   8          1HZ       LYS   8  -1.230   7.508   4.406
   57   2HZ   LYS   8          2HZ       LYS   8  -2.567   6.746   5.108
   58   3HZ   LYS   8          3HZ       LYS   8  -2.626   8.399   4.757
   59    H    SER   9           H        SER   9   0.476   6.188   0.563
   60    HA   SER   9           HA       SER   9   1.717   6.016   3.225
   61   1HB   SER   9          2HB       SER   9  -0.510   4.798   2.639
   62   2HB   SER   9          1HB       SER   9   0.532   3.661   1.783
   63    HG   SER   9           HG       SER   9   1.729   3.577   3.862
   64    H    ARG  10           H        ARG  10   3.482   4.577   3.545
   65    HA   ARG  10           HA       ARG  10   5.218   4.405   1.227
   66   1HB   ARG  10          2HB       ARG  10   6.063   5.280   3.380
   67   2HB   ARG  10          1HB       ARG  10   5.752   3.714   4.120
   68   1HG   ARG  10          2HG       ARG  10   7.570   2.764   3.200
   69   2HG   ARG  10          1HG       ARG  10   7.442   3.693   1.707
   70   1HD   ARG  10          2HD       ARG  10   9.441   4.191   3.191
   71   2HD   ARG  10          1HD       ARG  10   8.483   5.572   2.658
   72    HE   ARG  10           HE       ARG  10   7.549   4.652   5.159
   73   1HH1  ARG  10          1HH1      ARG  10  10.226   6.364   3.714
   74   2HH1  ARG  10          2HH1      ARG  10  10.586   7.265   5.149
   75   1HH2  ARG  10          1HH2      ARG  10   8.023   5.836   7.046
   76   2HH2  ARG  10          2HH2      ARG  10   9.336   6.965   7.041
   77    H    CYS  11           H        CYS  11   6.377   2.450   0.695
   78    HA   CYS  11           HA       CYS  11   5.098  -0.032   1.585
   79   1HB   CYS  11          2HB       CYS  11   4.286   0.955  -0.726
   80   2HB   CYS  11          1HB       CYS  11   5.790   0.256  -1.307
   81    H    ALA  12           H        ALA  12   6.374  -1.977   0.705
   82    HA   ALA  12           HA       ALA  12   9.174  -1.512   1.336
   83   1HB   ALA  12          1HB       ALA  12   8.834  -3.434   2.413
   84   2HB   ALA  12          2HB       ALA  12   8.848  -4.224   0.837
   85   3HB   ALA  12          3HB       ALA  12   7.318  -3.725   1.560
   86    H    LYS  13           H        LYS  13  10.633  -3.236   0.008
   87    HA   LYS  13           HA       LYS  13  11.151  -2.151  -2.448
   88   1HB   LYS  13          2HB       LYS  13  12.487  -3.884  -1.064
   89   2HB   LYS  13          1HB       LYS  13  11.595  -5.082  -1.987
   90   1HG   LYS  13          2HG       LYS  13  12.538  -4.356  -4.027
   91   2HG   LYS  13          1HG       LYS  13  13.189  -2.894  -3.285
   92   1HD   LYS  13          2HD       LYS  13  14.772  -4.168  -2.014
   93   2HD   LYS  13          1HD       LYS  13  14.030  -5.687  -2.521
   94   1HE   LYS  13          2HE       LYS  13  14.985  -5.621  -4.588
   95   2HE   LYS  13          1HE       LYS  13  14.979  -3.859  -4.653
   96   1HZ   LYS  13          1HZ       LYS  13  16.749  -5.196  -2.733
   97   2HZ   LYS  13          2HZ       LYS  13  16.950  -3.719  -3.530
   98   3HZ   LYS  13          3HZ       LYS  13  17.196  -5.170  -4.365
   99    H    TYR  14           H        TYR  14   9.024  -4.900  -1.762
  100    HA   TYR  14           HA       TYR  14   7.176  -4.408  -3.726
  101   1HB   TYR  14          2HB       TYR  14   7.918  -6.362  -5.324
  102   2HB   TYR  14          1HB       TYR  14   8.531  -4.731  -5.563
  103    HD1  TYR  14           1HD      TYR  14   9.592  -7.284  -3.064
  104    HD2  TYR  14           2HD      TYR  14  10.629  -5.049  -6.531
  105    HE1  TYR  14           1HE      TYR  14  11.892  -8.138  -2.919
  106    HE2  TYR  14           2HE      TYR  14  12.933  -5.896  -6.395
  107    HH   TYR  14           HH       TYR  14  14.110  -7.589  -3.649
  108    H    GLY  15           H        GLY  15   5.774  -6.321  -4.222
  109   1HA   GLY  15          2HA       GLY  15   5.183  -8.608  -3.691
  110   2HA   GLY  15          1HA       GLY  15   6.075  -8.437  -2.189
  111    H    TYR  16           H        TYR  16   4.624  -8.727  -0.631
  112    HA   TYR  16           HA       TYR  16   2.024  -7.378  -0.836
  113   1HB   TYR  16          2HB       TYR  16   2.213  -9.894  -0.417
  114   2HB   TYR  16          1HB       TYR  16   2.793  -9.473   1.191
  115    HD1  TYR  16           1HD      TYR  16   1.215  -7.691   2.438
  116    HD2  TYR  16           2HD      TYR  16  -0.029 -10.357  -0.636
  117    HE1  TYR  16           1HE      TYR  16  -1.105  -7.516   3.233
  118    HE2  TYR  16           2HE      TYR  16  -2.352 -10.189   0.151
  119    HH   TYR  16           HH       TYR  16  -3.361  -9.479   2.771
  120    H    TYR  17           H        TYR  17   1.343  -5.911   0.647
  121    HA   TYR  17           HA       TYR  17   2.930  -5.420   3.040
  122   1HB   TYR  17          2HB       TYR  17   3.671  -3.977   0.953
  123   2HB   TYR  17          1HB       TYR  17   2.253  -3.027   1.378
  124    HD1  TYR  17           1HD      TYR  17   3.114  -1.039   2.240
  125    HD2  TYR  17           2HD      TYR  17   4.689  -4.745   3.614
  126    HE1  TYR  17           1HE      TYR  17   4.425   0.157   3.944
  127    HE2  TYR  17           2HE      TYR  17   6.001  -3.561   5.321
  128    HH   TYR  17           HH       TYR  17   6.372  -0.151   5.320
  129    H    GLN  18           H        GLN  18   1.444  -5.574   4.575
  130    HA   GLN  18           HA       GLN  18  -1.273  -5.430   4.379
  131   1HB   GLN  18          2HB       GLN  18   0.356  -5.978   6.392
  132   2HB   GLN  18          1HB       GLN  18  -0.031  -4.326   6.856
  133   1HG   GLN  18          2HG       GLN  18  -1.952  -4.984   7.721
  134   2HG   GLN  18          1HG       GLN  18  -2.444  -5.676   6.176
  135   1HE2  GLN  18          1HE2      GLN  18  -0.425  -6.369   9.002
  136   2HE2  GLN  18          2HE2      GLN  18  -0.745  -8.067   9.033
  137    H    GLU  19           H        GLU  19   0.958  -2.743   4.683
  138    HA   GLU  19           HA       GLU  19  -0.911  -0.751   5.363
  139   1HB   GLU  19          2HB       GLU  19   1.852  -0.826   4.318
  140   2HB   GLU  19          1HB       GLU  19   0.953   0.645   3.973
  141   1HG   GLU  19          2HG       GLU  19   0.688   1.153   6.238
  142   2HG   GLU  19          1HG       GLU  19   1.112  -0.482   6.744
  143    H    CYS  20           H        CYS  20   0.610  -1.284   2.177
  144    HA   CYS  20           HA       CYS  20  -1.023   0.387   0.701
  145   1HB   CYS  20          2HB       CYS  20   1.087  -0.927  -0.007
  146   2HB   CYS  20          1HB       CYS  20  -0.029  -2.227  -0.408
  147    H    GLN  21           H        GLN  21  -1.439  -3.080   1.315
  148    HA   GLN  21           HA       GLN  21  -3.744  -3.532  -0.146
  149   1HB   GLN  21          2HB       GLN  21  -2.302  -4.850   1.998
  150   2HB   GLN  21          1HB       GLN  21  -4.035  -5.077   2.173
  151   1HG   GLN  21          2HG       GLN  21  -2.326  -5.808  -0.187
  152   2HG   GLN  21          1HG       GLN  21  -3.157  -6.898   0.919
  153   1HE2  GLN  21          1HE2      GLN  21  -5.603  -5.494   1.061
  154   2HE2  GLN  21          2HE2      GLN  21  -6.395  -5.649  -0.466
  155    H    ASP  22           H        ASP  22  -3.549  -2.672   3.316
  156    HA   ASP  22           HA       ASP  22  -6.305  -2.465   3.745
  157   1HB   ASP  22          2HB       ASP  22  -3.944  -1.197   5.124
  158   2HB   ASP  22          1HB       ASP  22  -5.597  -0.928   5.667
  159    H    CYS  23           H        CYS  23  -4.025  -0.236   2.344
  160    HA   CYS  23           HA       CYS  23  -5.517   2.131   2.568
  161   1HB   CYS  23          2HB       CYS  23  -3.043   1.568   1.717
  162   2HB   CYS  23          1HB       CYS  23  -3.850   1.721   0.168
  163    H    CYS  24           H        CYS  24  -5.141  -0.025  -0.233
  164    HA   CYS  24           HA       CYS  24  -7.033   1.210  -1.865
  165   1HB   CYS  24          2HB       CYS  24  -5.226  -0.631  -2.337
  166   2HB   CYS  24          1HB       CYS  24  -6.547  -1.737  -1.995
  167    H    LYS  25           H        LYS  25  -7.413  -1.892  -0.158
  168    HA   LYS  25           HA       LYS  25 -10.021  -2.440  -0.563
  169   1HB   LYS  25          2HB       LYS  25  -8.722  -3.988   0.636
  170   2HB   LYS  25          1HB       LYS  25  -8.280  -2.808   1.856
  171   1HG   LYS  25          2HG       LYS  25 -10.882  -2.851   2.327
  172   2HG   LYS  25          1HG       LYS  25 -10.731  -4.451   1.599
  173   1HD   LYS  25          2HD       LYS  25  -9.903  -5.248   3.496
  174   2HD   LYS  25          1HD       LYS  25  -8.577  -4.092   3.421
  175   1HE   LYS  25          2HE       LYS  25 -11.181  -3.050   4.341
  176   2HE   LYS  25          1HE       LYS  25 -10.359  -4.169   5.427
  177   1HZ   LYS  25          1HZ       LYS  25  -8.921  -1.872   4.252
  178   2HZ   LYS  25          2HZ       LYS  25  -8.556  -2.749   5.651
  179   3HZ   LYS  25          3HZ       LYS  25  -9.867  -1.682   5.643
  180    H    ASN  26           H        ASN  26  -8.848  -0.441   2.161
  181    HA   ASN  26           HA       ASN  26 -11.440   0.254   3.064
  182   1HB   ASN  26          2HB       ASN  26  -8.886   0.559   4.035
  183   2HB   ASN  26          1HB       ASN  26  -9.342   2.214   3.652
  184   1HD2  ASN  26          1HD2      ASN  26  -8.998   0.563   6.193
  185   2HD2  ASN  26          2HD2      ASN  26 -10.421   0.922   7.104
  186    H    ALA  27           H        ALA  27  -9.369   1.537   0.596
  187    HA   ALA  27           HA       ALA  27 -10.494   4.119   0.384
  188   1HB   ALA  27          1HB       ALA  27  -8.328   3.396  -0.629
  189   2HB   ALA  27          2HB       ALA  27  -9.390   4.269  -1.735
  190   3HB   ALA  27          3HB       ALA  27  -9.252   2.514  -1.845
  191    H    GLY  28           H        GLY  28 -11.448   0.989  -0.824
  192   1HA   GLY  28          2HA       GLY  28 -14.008   1.053  -1.110
  193   2HA   GLY  28          1HA       GLY  28 -13.622   2.224  -2.356
  194    H    HIS  29           H        HIS  29 -11.110   0.166  -2.485
  195    HA   HIS  29           HA       HIS  29 -12.397  -1.405  -4.603
  196   1HB   HIS  29          2HB       HIS  29  -9.435  -1.059  -4.156
  197   2HB   HIS  29          1HB       HIS  29 -10.244  -1.627  -5.610
  198    HD1  HIS  29           1HD      HIS  29 -11.944   0.336  -6.658
  199    HD2  HIS  29           2HD      HIS  29  -8.723   1.539  -4.325
  200    HE1  HIS  29           1HE      HIS  29 -11.566   2.756  -7.230
  201    HE2  HIS  29           2HE      HIS  29  -9.564   3.441  -5.862
  202    H    ASN  30           H        ASN  30 -10.004  -3.251  -4.552
  203    HA   ASN  30           HA       ASN  30 -10.959  -4.949  -2.355
  204   1HB   ASN  30          2HB       ASN  30  -9.560  -5.716  -4.926
  205   2HB   ASN  30          1HB       ASN  30 -10.082  -6.843  -3.677
  206   1HD2  ASN  30          1HD2      ASN  30 -11.406  -7.922  -5.147
  207   2HD2  ASN  30          2HD2      ASN  30 -12.909  -7.255  -5.678
  208    H    GLY  31           H        GLY  31  -7.966  -4.149  -4.136
  209   1HA   GLY  31          2HA       GLY  31  -6.452  -3.795  -1.780
  210   2HA   GLY  31          1HA       GLY  31  -6.177  -5.406  -2.426
  211    H    GLY  32           H        GLY  32  -3.953  -4.614  -2.632
  212   1HA   GLY  32          2HA       GLY  32  -3.515  -3.635  -5.321
  213   2HA   GLY  32          1HA       GLY  32  -2.947  -2.560  -4.053
  214    H    THR  33           H        THR  33  -0.943  -3.113  -5.431
  215    HA   THR  33           HA       THR  33   0.434  -5.341  -4.094
  216    HB   THR  33           HB       THR  33  -0.062  -6.069  -6.355
  217    HG1  THR  33           1HG      THR  33   1.885  -6.824  -5.843
  218   1HG2  THR  33          1HG2      THR  33  -0.369  -4.328  -7.779
  219   2HG2  THR  33          2HG2      THR  33   1.293  -4.752  -8.186
  220   3HG2  THR  33          3HG2      THR  33   0.968  -3.395  -7.108
  221    H    CYS  34           H        CYS  34   2.776  -5.116  -4.025
  222    HA   CYS  34           HA       CYS  34   3.545  -2.301  -3.736
  223   1HB   CYS  34          2HB       CYS  34   3.750  -4.064  -1.848
  224   2HB   CYS  34          1HB       CYS  34   5.151  -4.635  -2.741
  225    H    MET  35           H        MET  35   4.856  -1.390  -5.172
  226    HA   MET  35           HA       MET  35   6.680  -3.106  -6.714
  227   1HB   MET  35          2HB       MET  35   4.668  -1.132  -7.693
  228   2HB   MET  35          1HB       MET  35   6.179  -1.297  -8.576
  229   1HG   MET  35          2HG       MET  35   4.657  -3.757  -7.904
  230   2HG   MET  35          1HG       MET  35   4.057  -2.717  -9.194
  231   1HE   MET  35          1HE       MET  35   4.508  -3.646 -11.525
  232   2HE   MET  35          2HE       MET  35   4.302  -5.085 -10.527
  233   3HE   MET  35          3HE       MET  35   5.598  -5.018 -11.721
  234    H    PHE  36           H        PHE  36   8.603  -2.528  -5.865
  235    HA   PHE  36           HA       PHE  36  10.344  -1.251  -5.127
  236   1HB   PHE  36          2HB       PHE  36  10.590  -1.069  -7.534
  237   2HB   PHE  36          1HB       PHE  36   9.478   0.289  -7.570
  238    HD1  PHE  36           1HD      PHE  36  12.765  -0.805  -6.313
  239    HD2  PHE  36           2HD      PHE  36  10.252   2.484  -7.273
  240    HE1  PHE  36           1HE      PHE  36  14.672   0.726  -6.020
  241    HE2  PHE  36           2HE      PHE  36  12.150   4.026  -6.984
  242    HZ   PHE  36           HZ       PHE  36  14.363   3.147  -6.358
  243    H    PHE  37           H        PHE  37   8.984  -0.656  -3.220
  244    HA   PHE  37           HA       PHE  37   8.256   0.849  -1.684
  245   1HB   PHE  37          2HB       PHE  37   9.841   2.888  -3.242
  246   2HB   PHE  37          1HB       PHE  37   9.482   2.889  -1.519
  247    HD1  PHE  37           1HD      PHE  37  10.067  -0.108  -1.130
  248    HD2  PHE  37           2HD      PHE  37  12.214   3.043  -3.020
  249    HE1  PHE  37           1HE      PHE  37  12.178  -1.288  -0.686
  250    HE2  PHE  37           2HE      PHE  37  14.331   1.865  -2.581
  251    HZ   PHE  37           HZ       PHE  37  14.313  -0.305  -1.415
  252    H    LYS  38           H        LYS  38   6.778   0.601  -4.333
  253    HA   LYS  38           HA       LYS  38   5.317   3.155  -4.179
  254   1HB   LYS  38          2HB       LYS  38   6.490   2.246  -6.392
  255   2HB   LYS  38          1HB       LYS  38   4.981   1.352  -6.525
  256   1HG   LYS  38          2HG       LYS  38   3.737   3.463  -6.396
  257   2HG   LYS  38          1HG       LYS  38   5.264   4.342  -6.309
  258   1HD   LYS  38          2HD       LYS  38   5.891   3.391  -8.505
  259   2HD   LYS  38          1HD       LYS  38   4.308   2.616  -8.592
  260   1HE   LYS  38          2HE       LYS  38   3.297   4.515  -9.212
  261   2HE   LYS  38          1HE       LYS  38   4.159   5.468  -8.005
  262   1HZ   LYS  38          1HZ       LYS  38   5.937   5.816  -9.441
  263   2HZ   LYS  38          2HZ       LYS  38   4.588   5.975 -10.448
  264   3HZ   LYS  38          3HZ       LYS  38   5.497   4.550 -10.473
  265    H    CYS  39           H        CYS  39   3.128   3.124  -3.886
  266    HA   CYS  39           HA       CYS  39   1.969   0.506  -3.219
  267   1HB   CYS  39          2HB       CYS  39   2.013   2.084  -1.362
  268   2HB   CYS  39          1HB       CYS  39   1.169   3.285  -2.331
  269    H    LYS  40           H        LYS  40   1.056  -0.238  -5.065
  270    HA   LYS  40           HA       LYS  40  -0.800   1.561  -6.480
  271   1HB   LYS  40          2HB       LYS  40   1.255   0.212  -7.577
  272   2HB   LYS  40          1HB       LYS  40   0.004  -1.013  -7.719
  273   1HG   LYS  40          2HG       LYS  40   0.099   0.270  -9.744
  274   2HG   LYS  40          1HG       LYS  40  -1.415   0.618  -8.907
  275   1HD   LYS  40          2HD       LYS  40  -0.607   2.715  -8.137
  276   2HD   LYS  40          1HD       LYS  40   1.042   2.338  -8.640
  277   1HE   LYS  40          2HE       LYS  40   0.280   2.301 -10.989
  278   2HE   LYS  40          1HE       LYS  40  -1.333   2.768 -10.450
  279   1HZ   LYS  40          1HZ       LYS  40  -0.528   4.848  -9.710
  280   2HZ   LYS  40          2HZ       LYS  40   0.112   4.624 -11.259
  281   3HZ   LYS  40          3HZ       LYS  40   1.090   4.387  -9.899
  282    H    CYS  41           H        CYS  41  -2.747   0.468  -7.410
  283    HA   CYS  41           HA       CYS  41  -3.850  -1.380  -5.428
  284   1HB   CYS  41          2HB       CYS  41  -4.972   0.736  -7.188
  285   2HB   CYS  41          1HB       CYS  41  -6.002  -0.621  -6.797
  286    H    ALA  42           H        ALA  42  -5.917  -2.491  -6.738
  287    HA   ALA  42           HA       ALA  42  -4.566  -4.230  -8.672
  288   1HB   ALA  42          1HB       ALA  42  -6.816  -5.553  -8.251
  289   2HB   ALA  42          2HB       ALA  42  -6.830  -4.580  -6.781
  290   3HB   ALA  42          3HB       ALA  42  -5.464  -5.642  -7.122
  Start of MODEL    7
    1   1H    ASP   1          1HT       ASP   1 -10.097  10.998  -5.749
    2   2H    ASP   1          2HT       ASP   1 -10.625  12.375  -6.627
    3   3H    ASP   1          3HT       ASP   1 -11.707  11.560  -5.572
    4    HA   ASP   1           HA       ASP   1 -10.838  13.637  -4.685
    5   1HB   ASP   1          2HB       ASP   1 -11.375  11.267  -3.477
    6   2HB   ASP   1          1HB       ASP   1  -9.723  11.532  -2.928
    7    H    ARG   2           H        ARG   2  -8.809  13.741  -2.845
    8    HA   ARG   2           HA       ARG   2  -6.419  13.759  -4.566
    9   1HB   ARG   2          2HB       ARG   2  -7.457  15.642  -2.510
   10   2HB   ARG   2          1HB       ARG   2  -5.712  15.462  -2.636
   11   1HG   ARG   2          2HG       ARG   2  -6.068  15.883  -5.151
   12   2HG   ARG   2          1HG       ARG   2  -7.648  16.501  -4.664
   13   1HD   ARG   2          2HD       ARG   2  -5.629  17.594  -2.955
   14   2HD   ARG   2          1HD       ARG   2  -5.167  17.842  -4.638
   15    HE   ARG   2           HE       ARG   2  -7.776  18.602  -4.555
   16   1HH1  ARG   2          1HH1      ARG   2  -4.926  19.503  -2.754
   17   2HH1  ARG   2          2HH1      ARG   2  -5.471  21.119  -2.459
   18   1HH2  ARG   2          1HH2      ARG   2  -8.494  20.729  -4.168
   19   2HH2  ARG   2          2HH2      ARG   2  -7.497  21.816  -3.261
   20    H    ASP   3           H        ASP   3  -7.218  11.433  -3.147
   21    HA   ASP   3           HA       ASP   3  -5.561  11.267  -0.777
   22   1HB   ASP   3          2HB       ASP   3  -7.846   9.970  -1.551
   23   2HB   ASP   3          1HB       ASP   3  -6.616   8.758  -1.895
   24    H    SER   4           H        SER   4  -5.739   9.111  -3.610
   25    HA   SER   4           HA       SER   4  -4.130   7.891  -4.670
   26   1HB   SER   4          2HB       SER   4  -2.214   9.174  -5.484
   27   2HB   SER   4          1HB       SER   4  -3.686  10.139  -5.594
   28    HG   SER   4           HG       SER   4  -1.575  10.994  -4.561
   29    H    CYS   5           H        CYS   5  -3.853   6.362  -2.981
   30    HA   CYS   5           HA       CYS   5  -2.060   6.681  -0.835
   31   1HB   CYS   5          2HB       CYS   5  -3.893   4.907  -1.156
   32   2HB   CYS   5          1HB       CYS   5  -2.700   4.024  -2.102
   33    H    VAL   6           H        VAL   6  -1.573   5.858  -4.171
   34    HA   VAL   6           HA       VAL   6   0.818   4.489  -4.139
   35    HB   VAL   6           HB       VAL   6   0.244   6.666  -6.114
   36   1HG1  VAL   6          1HG1      VAL   6   1.410   4.038  -6.835
   37   2HG1  VAL   6          2HG1      VAL   6   2.428   5.183  -5.962
   38   3HG1  VAL   6          3HG1      VAL   6   1.719   5.638  -7.511
   39   1HG2  VAL   6          1HG2      VAL   6  -0.683   4.235  -7.153
   40   2HG2  VAL   6          2HG2      VAL   6  -1.642   5.642  -6.696
   41   3HG2  VAL   6          3HG2      VAL   6  -1.354   4.354  -5.527
   42    H    ASP   7           H        ASP   7   0.252   7.930  -3.714
   43    HA   ASP   7           HA       ASP   7   3.118   8.263  -3.109
   44   1HB   ASP   7          2HB       ASP   7   1.618   9.603  -5.049
   45   2HB   ASP   7          1HB       ASP   7   1.756  10.753  -3.723
   46    H    LYS   8           H        LYS   8   1.161   7.414  -1.231
   47    HA   LYS   8           HA       LYS   8   1.246   9.698   0.617
   48   1HB   LYS   8          2HB       LYS   8  -1.087   8.878  -0.487
   49   2HB   LYS   8          1HB       LYS   8  -1.030   7.836   0.928
   50   1HG   LYS   8          2HG       LYS   8  -0.793   9.803   2.365
   51   2HG   LYS   8          1HG       LYS   8  -0.868  10.843   0.941
   52   1HD   LYS   8          2HD       LYS   8  -3.042  10.820   1.909
   53   2HD   LYS   8          1HD       LYS   8  -3.114   9.838   0.445
   54   1HE   LYS   8          2HE       LYS   8  -3.943   8.177   1.666
   55   2HE   LYS   8          1HE       LYS   8  -2.398   8.082   2.510
   56   1HZ   LYS   8          1HZ       LYS   8  -3.175   9.442   4.224
   57   2HZ   LYS   8          2HZ       LYS   8  -4.472   8.401   3.909
   58   3HZ   LYS   8          3HZ       LYS   8  -4.503   9.991   3.332
   59    H    SER   9           H        SER   9   0.561   6.199   0.470
   60    HA   SER   9           HA       SER   9   1.712   5.859   3.124
   61   1HB   SER   9          2HB       SER   9  -0.445   4.707   2.157
   62   2HB   SER   9          1HB       SER   9   0.715   3.574   1.463
   63    HG   SER   9           HG       SER   9   1.252   2.889   3.427
   64    H    ARG  10           H        ARG  10   3.380   4.308   3.554
   65    HA   ARG  10           HA       ARG  10   5.433   4.332   1.522
   66   1HB   ARG  10          2HB       ARG  10   5.973   4.825   3.875
   67   2HB   ARG  10          1HB       ARG  10   5.472   3.200   4.325
   68   1HG   ARG  10          2HG       ARG  10   7.305   2.214   3.305
   69   2HG   ARG  10          1HG       ARG  10   7.614   3.620   2.286
   70   1HD   ARG  10          2HD       ARG  10   9.175   4.179   3.776
   71   2HD   ARG  10          1HD       ARG  10   7.845   4.629   4.839
   72    HE   ARG  10           HE       ARG  10   7.992   2.293   5.707
   73   1HH1  ARG  10          1HH1      ARG  10  10.788   3.811   4.248
   74   2HH1  ARG  10          2HH1      ARG  10  11.918   2.827   5.111
   75   1HH2  ARG  10          1HH2      ARG  10   9.487   1.009   6.836
   76   2HH2  ARG  10          2HH2      ARG  10  11.183   1.241   6.576
   77    H    CYS  11           H        CYS  11   6.535   2.478   0.758
   78    HA   CYS  11           HA       CYS  11   5.113  -0.074   1.063
   79   1HB   CYS  11          2HB       CYS  11   5.324   1.539  -1.320
   80   2HB   CYS  11          1HB       CYS  11   6.127  -0.004  -1.565
   81    H    ALA  12           H        ALA  12   6.460  -1.928   0.259
   82    HA   ALA  12           HA       ALA  12   9.185  -1.598   1.223
   83   1HB   ALA  12          1HB       ALA  12   8.603  -3.558   2.142
   84   2HB   ALA  12          2HB       ALA  12   8.926  -4.243   0.549
   85   3HB   ALA  12          3HB       ALA  12   7.279  -3.801   1.002
   86    H    LYS  13           H        LYS  13  10.749  -3.247  -0.077
   87    HA   LYS  13           HA       LYS  13  11.452  -1.997  -2.430
   88   1HB   LYS  13          2HB       LYS  13  12.680  -3.799  -0.963
   89   2HB   LYS  13          1HB       LYS  13  11.986  -4.921  -2.121
   90   1HG   LYS  13          2HG       LYS  13  13.166  -3.952  -3.918
   91   2HG   LYS  13          1HG       LYS  13  13.621  -2.547  -2.955
   92   1HD   LYS  13          2HD       LYS  13  15.173  -3.769  -1.697
   93   2HD   LYS  13          1HD       LYS  13  14.483  -5.317  -2.186
   94   1HE   LYS  13          2HE       LYS  13  15.226  -4.828  -4.516
   95   2HE   LYS  13          1HE       LYS  13  16.050  -3.396  -3.901
   96   1HZ   LYS  13          1HZ       LYS  13  16.671  -5.872  -2.528
   97   2HZ   LYS  13          2HZ       LYS  13  17.696  -4.620  -3.023
   98   3HZ   LYS  13          3HZ       LYS  13  17.197  -5.792  -4.135
   99    H    TYR  14           H        TYR  14   9.391  -4.832  -1.981
  100    HA   TYR  14           HA       TYR  14   7.670  -4.350  -4.062
  101   1HB   TYR  14          2HB       TYR  14   8.594  -6.315  -5.596
  102   2HB   TYR  14          1HB       TYR  14   9.084  -4.644  -5.835
  103    HD1  TYR  14           1HD      TYR  14  10.188  -7.291  -3.431
  104    HD2  TYR  14           2HD      TYR  14  11.285  -4.582  -6.521
  105    HE1  TYR  14           1HE      TYR  14  12.540  -7.957  -3.171
  106    HE2  TYR  14           2HE      TYR  14  13.640  -5.241  -6.271
  107    HH   TYR  14           HH       TYR  14  14.833  -7.494  -5.342
  108    H    GLY  15           H        GLY  15   6.154  -6.051  -4.425
  109   1HA   GLY  15          2HA       GLY  15   5.615  -8.433  -4.043
  110   2HA   GLY  15          1HA       GLY  15   6.426  -8.275  -2.493
  111    H    TYR  16           H        TYR  16   4.710  -8.856  -1.230
  112    HA   TYR  16           HA       TYR  16   2.206  -7.372  -1.483
  113   1HB   TYR  16          2HB       TYR  16   2.412  -9.940  -1.160
  114   2HB   TYR  16          1HB       TYR  16   2.730  -9.547   0.525
  115    HD1  TYR  16           1HD      TYR  16   0.964  -8.086   1.730
  116    HD2  TYR  16           2HD      TYR  16   0.221 -10.152  -1.915
  117    HE1  TYR  16           1HE      TYR  16  -1.455  -7.962   2.159
  118    HE2  TYR  16           2HE      TYR  16  -2.198 -10.034  -1.496
  119    HH   TYR  16           HH       TYR  16  -3.790  -8.763  -0.232
  120    H    TYR  17           H        TYR  17   1.237  -6.316   0.304
  121    HA   TYR  17           HA       TYR  17   2.737  -5.882   2.722
  122   1HB   TYR  17          2HB       TYR  17   3.717  -4.286   0.980
  123   2HB   TYR  17          1HB       TYR  17   2.168  -3.453   1.023
  124    HD1  TYR  17           1HD      TYR  17   2.830  -1.373   1.911
  125    HD2  TYR  17           2HD      TYR  17   3.924  -4.959   3.927
  126    HE1  TYR  17           1HE      TYR  17   3.594  -0.050   3.840
  127    HE2  TYR  17           2HE      TYR  17   4.688  -3.646   5.859
  128    HH   TYR  17           HH       TYR  17   5.408  -1.428   6.411
  129    H    GLN  18           H        GLN  18   1.087  -6.345   4.044
  130    HA   GLN  18           HA       GLN  18  -1.602  -6.067   3.654
  131   1HB   GLN  18          2HB       GLN  18  -0.151  -7.020   5.666
  132   2HB   GLN  18          1HB       GLN  18  -0.580  -5.474   6.385
  133   1HG   GLN  18          2HG       GLN  18  -2.800  -5.995   6.531
  134   2HG   GLN  18          1HG       GLN  18  -2.734  -7.125   5.178
  135   1HE2  GLN  18          1HE2      GLN  18  -4.061  -7.905   7.360
  136   2HE2  GLN  18          2HE2      GLN  18  -3.175  -9.104   8.233
  137    H    GLU  19           H        GLU  19   0.673  -3.578   4.602
  138    HA   GLU  19           HA       GLU  19  -1.091  -1.640   5.551
  139   1HB   GLU  19          2HB       GLU  19   1.611  -1.774   5.121
  140   2HB   GLU  19          1HB       GLU  19   1.114  -0.599   3.911
  141   1HG   GLU  19          2HG       GLU  19  -0.220   0.339   6.048
  142   2HG   GLU  19          1HG       GLU  19   1.170  -0.394   6.846
  143    H    CYS  20           H        CYS  20   0.285  -1.833   2.261
  144    HA   CYS  20           HA       CYS  20  -1.309   0.123   1.095
  145   1HB   CYS  20          2HB       CYS  20   0.717  -1.387   0.196
  146   2HB   CYS  20          1HB       CYS  20  -0.618  -2.248  -0.560
  147    H    GLN  21           H        GLN  21  -1.925  -3.299   1.620
  148    HA   GLN  21           HA       GLN  21  -4.202  -3.644   0.069
  149   1HB   GLN  21          2HB       GLN  21  -2.913  -5.010   2.284
  150   2HB   GLN  21          1HB       GLN  21  -4.663  -5.133   2.387
  151   1HG   GLN  21          2HG       GLN  21  -3.622  -5.633  -0.288
  152   2HG   GLN  21          1HG       GLN  21  -3.025  -6.761   0.927
  153   1HE2  GLN  21          1HE2      GLN  21  -5.180  -6.957   2.599
  154   2HE2  GLN  21          2HE2      GLN  21  -6.505  -7.685   1.763
  155    H    ASP  22           H        ASP  22  -4.054  -2.794   3.531
  156    HA   ASP  22           HA       ASP  22  -6.775  -2.379   3.927
  157   1HB   ASP  22          2HB       ASP  22  -4.452  -0.971   5.261
  158   2HB   ASP  22          1HB       ASP  22  -6.108  -0.987   5.859
  159    H    CYS  23           H        CYS  23  -4.298  -0.236   2.661
  160    HA   CYS  23           HA       CYS  23  -5.697   2.176   2.691
  161   1HB   CYS  23          2HB       CYS  23  -3.220   1.504   1.997
  162   2HB   CYS  23          1HB       CYS  23  -3.930   1.578   0.395
  163    H    CYS  24           H        CYS  24  -5.239   0.015  -0.093
  164    HA   CYS  24           HA       CYS  24  -6.970   1.268  -1.839
  165   1HB   CYS  24          2HB       CYS  24  -5.292  -0.670  -2.202
  166   2HB   CYS  24          1HB       CYS  24  -6.652  -1.713  -1.814
  167    H    LYS  25           H        LYS  25  -7.725  -1.659   0.081
  168    HA   LYS  25           HA       LYS  25 -10.384  -1.891  -0.583
  169   1HB   LYS  25          2HB       LYS  25 -10.694  -3.163   1.448
  170   2HB   LYS  25          1HB       LYS  25  -9.131  -3.550   0.746
  171   1HG   LYS  25          2HG       LYS  25  -8.043  -2.888   2.562
  172   2HG   LYS  25          1HG       LYS  25  -8.959  -1.386   2.667
  173   1HD   LYS  25          2HD       LYS  25 -10.480  -2.256   4.112
  174   2HD   LYS  25          1HD       LYS  25 -10.389  -3.869   3.402
  175   1HE   LYS  25          2HE       LYS  25  -9.393  -4.214   5.448
  176   2HE   LYS  25          1HE       LYS  25  -7.993  -3.878   4.430
  177   1HZ   LYS  25          1HZ       LYS  25  -8.526  -1.434   5.216
  178   2HZ   LYS  25          2HZ       LYS  25  -7.565  -2.474   6.141
  179   3HZ   LYS  25          3HZ       LYS  25  -9.194  -2.250   6.538
  180    H    ASN  26           H        ASN  26  -8.914   0.337   1.699
  181    HA   ASN  26           HA       ASN  26 -11.416   1.198   2.818
  182   1HB   ASN  26          2HB       ASN  26  -8.776   1.477   3.560
  183   2HB   ASN  26          1HB       ASN  26  -9.189   3.095   3.011
  184   1HD2  ASN  26          1HD2      ASN  26  -9.687   0.671   5.405
  185   2HD2  ASN  26          2HD2      ASN  26 -10.643   1.624   6.482
  186    H    ALA  27           H        ALA  27  -9.478   2.028   0.072
  187    HA   ALA  27           HA       ALA  27 -10.641   4.608  -0.377
  188   1HB   ALA  27          1HB       ALA  27  -8.407   3.415  -1.296
  189   2HB   ALA  27          2HB       ALA  27  -9.170   4.799  -2.080
  190   3HB   ALA  27          3HB       ALA  27  -9.479   3.167  -2.673
  191    H    GLY  28           H        GLY  28 -11.433   1.331  -1.232
  192   1HA   GLY  28          2HA       GLY  28 -13.924   1.151  -1.655
  193   2HA   GLY  28          1HA       GLY  28 -13.619   2.310  -2.935
  194    H    HIS  29           H        HIS  29 -11.475  -0.355  -2.104
  195    HA   HIS  29           HA       HIS  29 -12.372  -1.830  -4.466
  196   1HB   HIS  29          2HB       HIS  29  -9.441  -1.309  -4.010
  197   2HB   HIS  29          1HB       HIS  29 -10.219  -1.967  -5.444
  198    HD1  HIS  29           1HD      HIS  29 -12.037  -0.081  -6.518
  199    HD2  HIS  29           2HD      HIS  29  -8.754   1.272  -4.358
  200    HE1  HIS  29           1HE      HIS  29 -11.717   2.316  -7.211
  201    HE2  HIS  29           2HE      HIS  29  -9.673   3.087  -5.956
  202    H    ASN  30           H        ASN  30  -9.959  -3.557  -4.289
  203    HA   ASN  30           HA       ASN  30 -10.810  -5.112  -1.951
  204   1HB   ASN  30          2HB       ASN  30 -10.356  -5.820  -4.649
  205   2HB   ASN  30          1HB       ASN  30  -9.076  -6.583  -3.711
  206   1HD2  ASN  30          1HD2      ASN  30 -12.568  -5.992  -3.453
  207   2HD2  ASN  30          2HD2      ASN  30 -12.969  -7.582  -2.914
  208    H    GLY  31           H        GLY  31  -7.799  -4.468  -3.782
  209   1HA   GLY  31          2HA       GLY  31  -6.358  -3.796  -1.413
  210   2HA   GLY  31          1HA       GLY  31  -5.989  -5.431  -1.942
  211    H    GLY  32           H        GLY  32  -3.806  -4.722  -2.267
  212   1HA   GLY  32          2HA       GLY  32  -3.353  -3.865  -4.971
  213   2HA   GLY  32          1HA       GLY  32  -2.884  -2.651  -3.792
  214    H    THR  33           H        THR  33  -0.777  -3.078  -4.924
  215    HA   THR  33           HA       THR  33   0.708  -5.066  -3.372
  216    HB   THR  33           HB       THR  33   0.356  -6.241  -5.413
  217    HG1  THR  33           1HG      THR  33   2.488  -6.341  -6.234
  218   1HG2  THR  33          1HG2      THR  33   0.995  -3.649  -6.753
  219   2HG2  THR  33          2HG2      THR  33  -0.373  -4.734  -7.007
  220   3HG2  THR  33          3HG2      THR  33   1.230  -5.186  -7.585
  221    H    CYS  34           H        CYS  34   3.002  -4.639  -3.253
  222    HA   CYS  34           HA       CYS  34   3.566  -1.791  -3.387
  223   1HB   CYS  34          2HB       CYS  34   4.619  -4.126  -1.875
  224   2HB   CYS  34          1HB       CYS  34   5.723  -2.803  -2.188
  225    H    MET  35           H        MET  35   4.559  -1.018  -5.128
  226    HA   MET  35           HA       MET  35   6.457  -2.755  -6.564
  227   1HB   MET  35          2HB       MET  35   4.372  -0.857  -7.514
  228   2HB   MET  35          1HB       MET  35   5.862  -0.951  -8.442
  229   1HG   MET  35          2HG       MET  35   4.529  -3.496  -7.723
  230   2HG   MET  35          1HG       MET  35   3.771  -2.487  -8.953
  231   1HE   MET  35          1HE       MET  35   5.451  -2.238 -11.751
  232   2HE   MET  35          2HE       MET  35   6.971  -1.728 -11.019
  233   3HE   MET  35          3HE       MET  35   5.441  -1.122 -10.386
  234    H    PHE  36           H        PHE  36   8.394  -2.146  -5.738
  235    HA   PHE  36           HA       PHE  36  10.177  -0.854  -5.164
  236   1HB   PHE  36          2HB       PHE  36  10.341  -0.660  -7.560
  237   2HB   PHE  36          1HB       PHE  36   9.145   0.624  -7.579
  238    HD1  PHE  36           1HD      PHE  36  12.318  -0.075  -5.786
  239    HD2  PHE  36           2HD      PHE  36  10.003   2.709  -8.004
  240    HE1  PHE  36           1HE      PHE  36  14.134   1.577  -5.585
  241    HE2  PHE  36           2HE      PHE  36  11.808   4.372  -7.814
  242    HZ   PHE  36           HZ       PHE  36  13.878   3.806  -6.603
  243    H    PHE  37           H        PHE  37   8.565  -0.326  -3.283
  244    HA   PHE  37           HA       PHE  37   7.968   1.171  -1.686
  245   1HB   PHE  37          2HB       PHE  37   9.468   3.264  -3.254
  246   2HB   PHE  37          1HB       PHE  37   9.158   3.226  -1.521
  247    HD1  PHE  37           1HD      PHE  37   9.849   0.329  -1.040
  248    HD2  PHE  37           2HD      PHE  37  11.817   3.385  -3.254
  249    HE1  PHE  37           1HE      PHE  37  12.002  -0.802  -0.677
  250    HE2  PHE  37           2HE      PHE  37  13.975   2.256  -2.898
  251    HZ   PHE  37           HZ       PHE  37  14.068   0.158  -1.608
  252    H    LYS  38           H        LYS  38   6.494   0.944  -4.374
  253    HA   LYS  38           HA       LYS  38   4.978   3.463  -4.168
  254   1HB   LYS  38          2HB       LYS  38   4.960   1.515  -6.478
  255   2HB   LYS  38          1HB       LYS  38   4.228   3.112  -6.432
  256   1HG   LYS  38          2HG       LYS  38   7.137   2.973  -5.928
  257   2HG   LYS  38          1HG       LYS  38   6.589   2.622  -7.568
  258   1HD   LYS  38          2HD       LYS  38   5.144   4.878  -6.813
  259   2HD   LYS  38          1HD       LYS  38   6.767   5.157  -6.179
  260   1HE   LYS  38          2HE       LYS  38   7.438   5.736  -8.213
  261   2HE   LYS  38          1HE       LYS  38   7.070   4.108  -8.782
  262   1HZ   LYS  38          1HZ       LYS  38   5.665   5.205 -10.123
  263   2HZ   LYS  38          2HZ       LYS  38   5.581   6.570  -9.129
  264   3HZ   LYS  38          3HZ       LYS  38   4.642   5.209  -8.775
  265    H    CYS  39           H        CYS  39   2.833   3.411  -3.709
  266    HA   CYS  39           HA       CYS  39   1.753   0.826  -2.883
  267   1HB   CYS  39          2HB       CYS  39   1.699   3.315  -1.696
  268   2HB   CYS  39          1HB       CYS  39   0.086   3.181  -2.387
  269    H    LYS  40           H        LYS  40   1.175  -0.070  -4.879
  270    HA   LYS  40           HA       LYS  40  -0.809   1.388  -6.467
  271   1HB   LYS  40          2HB       LYS  40   1.304  -0.422  -7.100
  272   2HB   LYS  40          1HB       LYS  40  -0.210  -1.152  -7.610
  273   1HG   LYS  40          2HG       LYS  40  -0.376   0.209  -9.353
  274   2HG   LYS  40          1HG       LYS  40  -0.090   1.635  -8.356
  275   1HD   LYS  40          2HD       LYS  40   2.005   1.809  -9.092
  276   2HD   LYS  40          1HD       LYS  40   2.344   0.126  -8.687
  277   1HE   LYS  40          2HE       LYS  40   0.751  -0.031 -10.952
  278   2HE   LYS  40          1HE       LYS  40   1.805   1.349 -11.263
  279   1HZ   LYS  40          1HZ       LYS  40   3.715  -0.062 -10.770
  280   2HZ   LYS  40          2HZ       LYS  40   2.806  -0.689 -12.051
  281   3HZ   LYS  40          3HZ       LYS  40   2.691  -1.385 -10.514
  282    H    CYS  41           H        CYS  41  -2.682   0.136  -7.295
  283    HA   CYS  41           HA       CYS  41  -3.777  -1.538  -5.156
  284   1HB   CYS  41          2HB       CYS  41  -4.926   0.388  -7.105
  285   2HB   CYS  41          1HB       CYS  41  -5.928  -0.958  -6.615
  286    H    ALA  42           H        ALA  42  -5.800  -2.808  -6.408
  287    HA   ALA  42           HA       ALA  42  -4.600  -4.300  -8.635
  288   1HB   ALA  42          1HB       ALA  42  -5.789  -6.329  -7.351
  289   2HB   ALA  42          2HB       ALA  42  -5.330  -5.336  -5.967
  290   3HB   ALA  42          3HB       ALA  42  -4.100  -5.888  -7.104
  Start of MODEL    8
    1   1H    ASP   1          1HT       ASP   1 -10.571  15.229   0.140
    2   2H    ASP   1          2HT       ASP   1  -8.874  15.419   0.306
    3   3H    ASP   1          3HT       ASP   1  -9.534  13.885  -0.089
    4    HA   ASP   1           HA       ASP   1 -10.428  14.898  -2.131
    5   1HB   ASP   1          2HB       ASP   1  -8.986  17.174  -0.888
    6   2HB   ASP   1          1HB       ASP   1  -8.794  16.990  -2.629
    7    H    ARG   2           H        ARG   2  -9.507  13.492  -3.467
    8    HA   ARG   2           HA       ARG   2  -7.968  12.193  -4.521
    9   1HB   ARG   2          2HB       ARG   2  -5.954  14.388  -4.211
   10   2HB   ARG   2          1HB       ARG   2  -6.244  13.330  -5.583
   11   1HG   ARG   2          2HG       ARG   2  -8.145  14.542  -6.255
   12   2HG   ARG   2          1HG       ARG   2  -8.232  15.405  -4.720
   13   1HD   ARG   2          2HD       ARG   2  -7.070  17.046  -5.671
   14   2HD   ARG   2          1HD       ARG   2  -5.685  15.956  -5.711
   15    HE   ARG   2           HE       ARG   2  -7.221  15.388  -7.947
   16   1HH1  ARG   2          1HH1      ARG   2  -5.425  18.096  -6.675
   17   2HH1  ARG   2          2HH1      ARG   2  -5.050  18.743  -8.236
   18   1HH2  ARG   2          1HH2      ARG   2  -6.729  16.237 -10.004
   19   2HH2  ARG   2          2HH2      ARG   2  -5.790  17.688 -10.127
   20    H    ASP   3           H        ASP   3  -7.623  10.580  -3.024
   21    HA   ASP   3           HA       ASP   3  -5.728  10.928  -0.877
   22   1HB   ASP   3          2HB       ASP   3  -7.718   9.517  -0.569
   23   2HB   ASP   3          1HB       ASP   3  -7.156   8.440  -1.844
   24    H    SER   4           H        SER   4  -5.875   8.337  -3.316
   25    HA   SER   4           HA       SER   4  -4.236   7.199  -4.413
   26   1HB   SER   4          2HB       SER   4  -3.128  10.008  -4.465
   27   2HB   SER   4          1HB       SER   4  -2.345   8.666  -5.300
   28    HG   SER   4           HG       SER   4  -4.509   8.352  -6.296
   29    H    CYS   5           H        CYS   5  -3.744   5.940  -2.533
   30    HA   CYS   5           HA       CYS   5  -1.871   6.635  -0.579
   31   1HB   CYS   5          2HB       CYS   5  -3.499   4.488  -1.010
   32   2HB   CYS   5          1HB       CYS   5  -1.917   3.788  -1.330
   33    H    VAL   6           H        VAL   6  -1.423   5.742  -3.871
   34    HA   VAL   6           HA       VAL   6   1.061   4.547  -3.906
   35    HB   VAL   6           HB       VAL   6  -0.500   5.123  -5.863
   36   1HG1  VAL   6          1HG1      VAL   6   0.035   7.098  -7.152
   37   2HG1  VAL   6          2HG1      VAL   6   1.205   7.602  -5.931
   38   3HG1  VAL   6          3HG1      VAL   6  -0.514   7.551  -5.539
   39   1HG2  VAL   6          1HG2      VAL   6   2.031   4.223  -5.762
   40   2HG2  VAL   6          2HG2      VAL   6   2.254   5.666  -6.750
   41   3HG2  VAL   6          3HG2      VAL   6   1.123   4.413  -7.261
   42    H    ASP   7           H        ASP   7   0.299   7.994  -3.799
   43    HA   ASP   7           HA       ASP   7   3.122   8.551  -3.171
   44   1HB   ASP   7          2HB       ASP   7   1.827   9.644  -5.195
   45   2HB   ASP   7          1HB       ASP   7   1.210  10.716  -3.942
   46    H    LYS   8           H        LYS   8   1.100   7.611  -1.278
   47    HA   LYS   8           HA       LYS   8   1.134   9.912   0.560
   48   1HB   LYS   8          2HB       LYS   8  -1.153   8.909  -0.458
   49   2HB   LYS   8          1HB       LYS   8  -0.969   7.860   0.941
   50   1HG   LYS   8          2HG       LYS   8  -2.005   9.458   2.086
   51   2HG   LYS   8          1HG       LYS   8  -0.489  10.356   1.983
   52   1HD   LYS   8          2HD       LYS   8  -2.646  10.513  -0.114
   53   2HD   LYS   8          1HD       LYS   8  -2.560  11.609   1.266
   54   1HE   LYS   8          2HE       LYS   8  -0.626  12.618   0.512
   55   2HE   LYS   8          1HE       LYS   8  -0.159  11.228  -0.466
   56   1HZ   LYS   8          1HZ       LYS   8  -0.852  12.755  -2.029
   57   2HZ   LYS   8          2HZ       LYS   8  -2.118  13.342  -1.073
   58   3HZ   LYS   8          3HZ       LYS   8  -2.251  11.827  -1.813
   59    H    SER   9           H        SER   9   0.465   6.410   0.700
   60    HA   SER   9           HA       SER   9   1.961   6.240   3.192
   61   1HB   SER   9          2HB       SER   9  -0.308   5.108   2.771
   62   2HB   SER   9          1HB       SER   9   0.590   3.948   1.792
   63    HG   SER   9           HG       SER   9   0.269   3.917   4.392
   64    H    ARG  10           H        ARG  10   3.699   4.794   3.517
   65    HA   ARG  10           HA       ARG  10   5.456   4.589   1.258
   66   1HB   ARG  10          2HB       ARG  10   5.863   4.871   3.933
   67   2HB   ARG  10          1HB       ARG  10   6.189   3.155   3.728
   68   1HG   ARG  10          2HG       ARG  10   7.706   3.927   1.774
   69   2HG   ARG  10          1HG       ARG  10   7.624   5.502   2.563
   70   1HD   ARG  10          2HD       ARG  10   8.424   4.468   4.653
   71   2HD   ARG  10          1HD       ARG  10   8.566   2.923   3.813
   72    HE   ARG  10           HE       ARG  10  10.077   4.571   2.302
   73   1HH1  ARG  10          1HH1      ARG  10  10.005   3.893   5.725
   74   2HH1  ARG  10          2HH1      ARG  10  11.693   4.206   5.949
   75   1HH2  ARG  10          1HH2      ARG  10  12.298   4.983   2.595
   76   2HH2  ARG  10          2HH2      ARG  10  12.995   4.825   4.172
   77    H    CYS  11           H        CYS  11   6.821   2.225   1.754
   78    HA   CYS  11           HA       CYS  11   5.197  -0.069   1.890
   79   1HB   CYS  11          2HB       CYS  11   4.593   1.129  -0.391
   80   2HB   CYS  11          1HB       CYS  11   6.080   0.366  -0.934
   81    H    ALA  12           H        ALA  12   6.442  -2.003   0.783
   82    HA   ALA  12           HA       ALA  12   9.187  -1.795   1.717
   83   1HB   ALA  12          1HB       ALA  12   8.797  -4.385   0.809
   84   2HB   ALA  12          2HB       ALA  12   7.220  -3.910   1.441
   85   3HB   ALA  12          3HB       ALA  12   8.649  -3.823   2.474
   86    H    LYS  13           H        LYS  13  10.617  -3.502   0.247
   87    HA   LYS  13           HA       LYS  13  11.330  -2.056  -2.019
   88   1HB   LYS  13          2HB       LYS  13  12.497  -3.995  -0.596
   89   2HB   LYS  13          1HB       LYS  13  11.934  -4.956  -1.951
   90   1HG   LYS  13          2HG       LYS  13  13.432  -4.072  -3.374
   91   2HG   LYS  13          1HG       LYS  13  13.302  -2.460  -2.669
   92   1HD   LYS  13          2HD       LYS  13  14.811  -4.790  -1.486
   93   2HD   LYS  13          1HD       LYS  13  15.525  -3.408  -2.317
   94   1HE   LYS  13          2HE       LYS  13  14.254  -2.009  -0.540
   95   2HE   LYS  13          1HE       LYS  13  14.194  -3.525   0.358
   96   1HZ   LYS  13          1HZ       LYS  13  16.500  -3.599   0.528
   97   2HZ   LYS  13          2HZ       LYS  13  16.140  -1.968   0.793
   98   3HZ   LYS  13          3HZ       LYS  13  16.739  -2.467  -0.707
   99    H    TYR  14           H        TYR  14   9.337  -4.977  -1.717
  100    HA   TYR  14           HA       TYR  14   7.654  -4.400  -3.839
  101   1HB   TYR  14          2HB       TYR  14   8.666  -6.376  -5.346
  102   2HB   TYR  14          1HB       TYR  14   9.096  -4.687  -5.579
  103    HD1  TYR  14           1HD      TYR  14  10.263  -7.031  -2.929
  104    HD2  TYR  14           2HD      TYR  14  11.281  -4.782  -6.394
  105    HE1  TYR  14           1HE      TYR  14  12.632  -7.591  -2.589
  106    HE2  TYR  14           2HE      TYR  14  13.653  -5.339  -6.065
  107    HH   TYR  14           HH       TYR  14  15.027  -6.979  -4.970
  108    H    GLY  15           H        GLY  15   6.129  -6.071  -4.285
  109   1HA   GLY  15          2HA       GLY  15   5.578  -8.471  -3.969
  110   2HA   GLY  15          1HA       GLY  15   6.295  -8.322  -2.372
  111    H    TYR  16           H        TYR  16   4.654  -8.645  -1.004
  112    HA   TYR  16           HA       TYR  16   2.157  -7.155  -1.454
  113   1HB   TYR  16          2HB       TYR  16   2.065  -9.681  -1.311
  114   2HB   TYR  16          1HB       TYR  16   2.539  -9.526   0.377
  115    HD1  TYR  16           1HD      TYR  16   1.028  -8.016   1.859
  116    HD2  TYR  16           2HD      TYR  16  -0.187  -9.639  -1.882
  117    HE1  TYR  16           1HE      TYR  16  -1.328  -7.706   2.496
  118    HE2  TYR  16           2HE      TYR  16  -2.546  -9.334  -1.254
  119    HH   TYR  16           HH       TYR  16  -3.805  -7.685   0.431
  120    H    TYR  17           H        TYR  17   1.495  -5.670  -0.023
  121    HA   TYR  17           HA       TYR  17   2.827  -5.532   2.590
  122   1HB   TYR  17          2HB       TYR  17   3.655  -3.874   0.706
  123   2HB   TYR  17          1HB       TYR  17   2.200  -2.989   1.146
  124    HD1  TYR  17           1HD      TYR  17   2.988  -1.087   2.241
  125    HD2  TYR  17           2HD      TYR  17   4.532  -4.898   3.335
  126    HE1  TYR  17           1HE      TYR  17   4.184  -0.055   4.125
  127    HE2  TYR  17           2HE      TYR  17   5.731  -3.877   5.223
  128    HH   TYR  17           HH       TYR  17   5.138  -0.674   6.263
  129    H    GLN  18           H        GLN  18   1.264  -5.852   4.021
  130    HA   GLN  18           HA       GLN  18  -1.447  -5.696   3.669
  131   1HB   GLN  18          2HB       GLN  18   0.104  -6.446   5.713
  132   2HB   GLN  18          1HB       GLN  18  -0.421  -4.890   6.340
  133   1HG   GLN  18          2HG       GLN  18  -2.634  -5.535   6.463
  134   2HG   GLN  18          1HG       GLN  18  -2.430  -6.824   5.278
  135   1HE2  GLN  18          1HE2      GLN  18  -1.792  -8.821   5.938
  136   2HE2  GLN  18          2HE2      GLN  18  -1.591  -9.265   7.596
  137    H    GLU  19           H        GLU  19   0.767  -3.079   4.280
  138    HA   GLU  19           HA       GLU  19  -1.119  -1.154   5.134
  139   1HB   GLU  19          2HB       GLU  19   1.594  -1.220   4.951
  140   2HB   GLU  19          1HB       GLU  19   1.199  -0.179   3.590
  141   1HG   GLU  19          2HG       GLU  19   0.351   1.479   4.923
  142   2HG   GLU  19          1HG       GLU  19  -0.059   0.369   6.229
  143    H    CYS  20           H        CYS  20   0.107  -2.077   1.953
  144    HA   CYS  20           HA       CYS  20  -1.257  -0.013   0.539
  145   1HB   CYS  20          2HB       CYS  20   0.737  -1.759  -0.100
  146   2HB   CYS  20          1HB       CYS  20  -0.629  -2.484  -0.941
  147    H    GLN  21           H        GLN  21  -1.879  -3.516   0.857
  148    HA   GLN  21           HA       GLN  21  -4.268  -3.559  -0.579
  149   1HB   GLN  21          2HB       GLN  21  -4.727  -5.683   0.513
  150   2HB   GLN  21          1HB       GLN  21  -3.036  -5.583   0.047
  151   1HG   GLN  21          2HG       GLN  21  -2.395  -5.956   2.107
  152   2HG   GLN  21          1HG       GLN  21  -3.337  -4.595   2.701
  153   1HE2  GLN  21          1HE2      GLN  21  -5.858  -5.264   2.439
  154   2HE2  GLN  21          2HE2      GLN  21  -6.242  -6.717   3.289
  155    H    ASP  22           H        ASP  22  -3.615  -2.670   2.735
  156    HA   ASP  22           HA       ASP  22  -6.341  -2.679   3.590
  157   1HB   ASP  22          2HB       ASP  22  -4.371  -2.864   5.130
  158   2HB   ASP  22          1HB       ASP  22  -4.015  -1.171   4.801
  159    H    CYS  23           H        CYS  23  -4.121  -0.252   2.322
  160    HA   CYS  23           HA       CYS  23  -5.730   2.011   2.739
  161   1HB   CYS  23          2HB       CYS  23  -3.218   1.636   1.878
  162   2HB   CYS  23          1HB       CYS  23  -4.016   1.914   0.340
  163    H    CYS  24           H        CYS  24  -5.199   0.161  -0.253
  164    HA   CYS  24           HA       CYS  24  -7.091   1.421  -1.837
  165   1HB   CYS  24          2HB       CYS  24  -5.320  -0.329  -2.475
  166   2HB   CYS  24          1HB       CYS  24  -6.524  -1.530  -2.023
  167    H    LYS  25           H        LYS  25  -7.500  -1.608   0.005
  168    HA   LYS  25           HA       LYS  25 -10.143  -2.129  -0.519
  169   1HB   LYS  25          2HB       LYS  25  -8.802  -3.692   0.703
  170   2HB   LYS  25          1HB       LYS  25  -8.532  -2.539   1.999
  171   1HG   LYS  25          2HG       LYS  25 -11.225  -2.712   2.060
  172   2HG   LYS  25          1HG       LYS  25 -10.806  -4.330   1.497
  173   1HD   LYS  25          2HD       LYS  25 -10.178  -4.920   3.544
  174   2HD   LYS  25          1HD       LYS  25  -9.040  -3.577   3.619
  175   1HE   LYS  25          2HE       LYS  25 -11.885  -2.892   3.997
  176   2HE   LYS  25          1HE       LYS  25 -11.141  -3.848   5.279
  177   1HZ   LYS  25          1HZ       LYS  25  -9.628  -1.549   4.325
  178   2HZ   LYS  25          2HZ       LYS  25  -9.807  -2.151   5.896
  179   3HZ   LYS  25          3HZ       LYS  25 -11.032  -1.209   5.208
  180    H    ASN  26           H        ASN  26  -8.800   0.128   1.845
  181    HA   ASN  26           HA       ASN  26 -11.330   0.801   2.994
  182   1HB   ASN  26          2HB       ASN  26  -8.674   1.202   3.682
  183   2HB   ASN  26          1HB       ASN  26  -9.249   2.820   3.300
  184   1HD2  ASN  26          1HD2      ASN  26  -9.078   0.431   5.632
  185   2HD2  ASN  26          2HD2      ASN  26 -10.214   1.083   6.758
  186    H    ALA  27           H        ALA  27  -9.519   1.873   0.250
  187    HA   ALA  27           HA       ALA  27 -10.771   4.429  -0.017
  188   1HB   ALA  27          1HB       ALA  27  -8.825   4.472  -1.182
  189   2HB   ALA  27          2HB       ALA  27  -9.887   3.970  -2.497
  190   3HB   ALA  27          3HB       ALA  27  -8.926   2.771  -1.632
  191    H    GLY  28           H        GLY  28 -11.499   1.184  -1.047
  192   1HA   GLY  28          2HA       GLY  28 -14.028   0.986  -1.345
  193   2HA   GLY  28          1HA       GLY  28 -13.776   2.180  -2.608
  194    H    HIS  29           H        HIS  29 -11.582  -0.471  -1.896
  195    HA   HIS  29           HA       HIS  29 -12.510  -1.905  -4.271
  196   1HB   HIS  29          2HB       HIS  29  -9.601  -1.216  -3.820
  197   2HB   HIS  29          1HB       HIS  29 -10.285  -2.061  -5.204
  198    HD1  HIS  29           1HD      HIS  29 -12.338  -0.407  -6.348
  199    HD2  HIS  29           2HD      HIS  29  -9.059   1.338  -4.488
  200    HE1  HIS  29           1HE      HIS  29 -12.206   1.929  -7.270
  201    HE2  HIS  29           2HE      HIS  29 -10.151   2.928  -6.209
  202    H    ASN  30           H        ASN  30 -10.056  -3.608  -4.146
  203    HA   ASN  30           HA       ASN  30 -10.849  -5.186  -1.799
  204   1HB   ASN  30          2HB       ASN  30 -10.404  -5.870  -4.551
  205   2HB   ASN  30          1HB       ASN  30  -9.261  -6.753  -3.546
  206   1HD2  ASN  30          1HD2      ASN  30 -12.693  -5.929  -3.777
  207   2HD2  ASN  30          2HD2      ASN  30 -13.275  -7.433  -3.156
  208    H    GLY  31           H        GLY  31  -7.998  -4.196  -3.692
  209   1HA   GLY  31          2HA       GLY  31  -6.414  -3.665  -1.440
  210   2HA   GLY  31          1HA       GLY  31  -6.071  -5.306  -1.970
  211    H    GLY  32           H        GLY  32  -3.942  -4.767  -2.510
  212   1HA   GLY  32          2HA       GLY  32  -3.620  -3.832  -5.195
  213   2HA   GLY  32          1HA       GLY  32  -3.026  -2.667  -4.023
  214    H    THR  33           H        THR  33  -0.956  -3.045  -5.107
  215    HA   THR  33           HA       THR  33   0.458  -5.270  -3.834
  216    HB   THR  33           HB       THR  33  -0.008  -6.059  -6.076
  217    HG1  THR  33           1HG      THR  33   2.084  -6.470  -6.693
  218   1HG2  THR  33          1HG2      THR  33   0.944  -3.369  -6.895
  219   2HG2  THR  33          2HG2      THR  33  -0.398  -4.333  -7.510
  220   3HG2  THR  33          3HG2      THR  33   1.258  -4.744  -7.953
  221    H    CYS  34           H        CYS  34   2.851  -4.983  -3.952
  222    HA   CYS  34           HA       CYS  34   3.510  -2.135  -3.649
  223   1HB   CYS  34          2HB       CYS  34   3.792  -3.799  -1.712
  224   2HB   CYS  34          1HB       CYS  34   5.161  -4.429  -2.616
  225    H    MET  35           H        MET  35   4.878  -1.196  -5.024
  226    HA   MET  35           HA       MET  35   6.666  -2.898  -6.622
  227   1HB   MET  35          2HB       MET  35   4.632  -0.927  -7.545
  228   2HB   MET  35          1HB       MET  35   6.140  -1.037  -8.442
  229   1HG   MET  35          2HG       MET  35   5.070  -3.658  -7.932
  230   2HG   MET  35          1HG       MET  35   3.873  -2.634  -8.721
  231   1HE   MET  35          1HE       MET  35   7.055  -4.385  -8.658
  232   2HE   MET  35          2HE       MET  35   8.037  -3.169  -9.476
  233   3HE   MET  35          3HE       MET  35   7.522  -4.615 -10.344
  234    H    PHE  36           H        PHE  36   8.487  -2.291  -5.453
  235    HA   PHE  36           HA       PHE  36  10.245  -1.012  -4.782
  236   1HB   PHE  36          2HB       PHE  36  10.627  -0.913  -7.155
  237   2HB   PHE  36          1HB       PHE  36   9.463   0.386  -7.333
  238    HD1  PHE  36           1HD      PHE  36  12.626  -0.418  -5.584
  239    HD2  PHE  36           2HD      PHE  36  10.222   2.570  -7.411
  240    HE1  PHE  36           1HE      PHE  36  14.450   1.212  -5.297
  241    HE2  PHE  36           2HE      PHE  36  12.036   4.211  -7.133
  242    HZ   PHE  36           HZ       PHE  36  14.154   3.531  -6.074
  243    H    PHE  37           H        PHE  37   8.518  -0.377  -3.052
  244    HA   PHE  37           HA       PHE  37   7.852   1.192  -1.558
  245   1HB   PHE  37          2HB       PHE  37   9.438   3.228  -3.111
  246   2HB   PHE  37          1HB       PHE  37   9.064   3.218  -1.390
  247    HD1  PHE  37           1HD      PHE  37   9.729   0.360  -0.789
  248    HD2  PHE  37           2HD      PHE  37  11.779   3.304  -3.077
  249    HE1  PHE  37           1HE      PHE  37  11.862  -0.778  -0.334
  250    HE2  PHE  37           2HE      PHE  37  13.917   2.171  -2.626
  251    HZ   PHE  37           HZ       PHE  37  13.959   0.125  -1.253
  252    H    LYS  38           H        LYS  38   6.717   1.049  -4.547
  253    HA   LYS  38           HA       LYS  38   5.112   3.498  -4.347
  254   1HB   LYS  38          2HB       LYS  38   6.371   2.210  -6.542
  255   2HB   LYS  38          1HB       LYS  38   4.635   2.091  -6.791
  256   1HG   LYS  38          2HG       LYS  38   4.368   4.385  -6.879
  257   2HG   LYS  38          1HG       LYS  38   5.893   4.699  -6.053
  258   1HD   LYS  38          2HD       LYS  38   6.804   3.404  -8.226
  259   2HD   LYS  38          1HD       LYS  38   5.354   4.144  -8.904
  260   1HE   LYS  38          2HE       LYS  38   6.778   6.046  -7.285
  261   2HE   LYS  38          1HE       LYS  38   7.860   5.337  -8.483
  262   1HZ   LYS  38          1HZ       LYS  38   6.586   6.126 -10.224
  263   2HZ   LYS  38          2HZ       LYS  38   6.495   7.400  -9.115
  264   3HZ   LYS  38          3HZ       LYS  38   5.198   6.325  -9.275
  265    H    CYS  39           H        CYS  39   3.055   3.347  -3.748
  266    HA   CYS  39           HA       CYS  39   1.908   0.713  -3.331
  267   1HB   CYS  39          2HB       CYS  39   1.762   3.164  -1.974
  268   2HB   CYS  39          1HB       CYS  39   0.149   2.894  -2.625
  269    H    LYS  40           H        LYS  40   0.696  -0.225  -4.805
  270    HA   LYS  40           HA       LYS  40  -0.985   1.456  -6.548
  271   1HB   LYS  40          2HB       LYS  40   1.072   0.226  -7.583
  272   2HB   LYS  40          1HB       LYS  40   0.069  -1.210  -7.438
  273   1HG   LYS  40          2HG       LYS  40  -0.156  -0.329  -9.649
  274   2HG   LYS  40          1HG       LYS  40  -1.672  -0.071  -8.785
  275   1HD   LYS  40          2HD       LYS  40  -1.514   2.052  -9.473
  276   2HD   LYS  40          1HD       LYS  40  -0.263   2.225  -8.241
  277   1HE   LYS  40          2HE       LYS  40   1.134   2.785  -9.882
  278   2HE   LYS  40          1HE       LYS  40   1.056   1.107 -10.416
  279   1HZ   LYS  40          1HZ       LYS  40  -0.288   1.624 -12.135
  280   2HZ   LYS  40          2HZ       LYS  40   0.421   3.150 -11.972
  281   3HZ   LYS  40          3HZ       LYS  40  -1.101   2.851 -11.299
  282    H    CYS  41           H        CYS  41  -2.945   0.355  -7.342
  283    HA   CYS  41           HA       CYS  41  -4.057  -1.333  -5.244
  284   1HB   CYS  41          2HB       CYS  41  -5.171   0.486  -7.317
  285   2HB   CYS  41          1HB       CYS  41  -6.174  -0.830  -6.753
  286    H    ALA  42           H        ALA  42  -6.013  -2.689  -6.428
  287    HA   ALA  42           HA       ALA  42  -4.907  -4.171  -8.692
  288   1HB   ALA  42          1HB       ALA  42  -5.713  -6.279  -7.245
  289   2HB   ALA  42          2HB       ALA  42  -5.176  -5.217  -5.943
  290   3HB   ALA  42          3HB       ALA  42  -4.056  -5.671  -7.228
  Start of MODEL    9
    1   1H    ASP   1          1HT       ASP   1 -10.969  13.991  -1.078
    2   2H    ASP   1          2HT       ASP   1  -9.325  13.514  -0.947
    3   3H    ASP   1          3HT       ASP   1 -10.316  12.857  -2.186
    4    HA   ASP   1           HA       ASP   1 -10.408  14.824  -3.337
    5   1HB   ASP   1          2HB       ASP   1 -10.659  16.062  -1.042
    6   2HB   ASP   1          1HB       ASP   1  -8.916  16.276  -1.174
    7    H    ARG   2           H        ARG   2  -8.980  13.486  -4.533
    8    HA   ARG   2           HA       ARG   2  -7.028  12.950  -5.565
    9   1HB   ARG   2          2HB       ARG   2  -7.031  15.655  -5.299
   10   2HB   ARG   2          1HB       ARG   2  -5.529  15.247  -4.485
   11   1HG   ARG   2          2HG       ARG   2  -4.734  14.096  -6.462
   12   2HG   ARG   2          1HG       ARG   2  -6.263  14.413  -7.283
   13   1HD   ARG   2          2HD       ARG   2  -5.325  16.895  -6.339
   14   2HD   ARG   2          1HD       ARG   2  -3.941  16.078  -7.064
   15    HE   ARG   2           HE       ARG   2  -6.014  15.786  -8.855
   16   1HH1  ARG   2          1HH1      ARG   2  -4.283  18.443  -7.398
   17   2HH1  ARG   2          2HH1      ARG   2  -4.511  19.498  -8.752
   18   1HH2  ARG   2          1HH2      ARG   2  -6.316  17.171 -10.636
   19   2HH2  ARG   2          2HH2      ARG   2  -5.666  18.777 -10.591
   20    H    ASP   3           H        ASP   3  -7.497  12.001  -2.881
   21    HA   ASP   3           HA       ASP   3  -5.242  12.129  -1.234
   22   1HB   ASP   3          2HB       ASP   3  -7.456  11.212  -0.557
   23   2HB   ASP   3          1HB       ASP   3  -7.135   9.788  -1.543
   24    H    SER   4           H        SER   4  -6.148   9.275  -3.171
   25    HA   SER   4           HA       SER   4  -4.890   7.666  -4.176
   26   1HB   SER   4          2HB       SER   4  -2.744   9.720  -4.639
   27   2HB   SER   4          1HB       SER   4  -3.263   8.403  -5.692
   28    HG   SER   4           HG       SER   4  -4.157  10.195  -6.561
   29    H    CYS   5           H        CYS   5  -4.313   6.262  -2.596
   30    HA   CYS   5           HA       CYS   5  -2.488   6.745  -0.532
   31   1HB   CYS   5          2HB       CYS   5  -3.348   4.146  -1.812
   32   2HB   CYS   5          1HB       CYS   5  -2.391   4.244  -0.338
   33    H    VAL   6           H        VAL   6  -1.994   5.818  -3.848
   34    HA   VAL   6           HA       VAL   6   0.506   4.653  -3.785
   35    HB   VAL   6           HB       VAL   6  -0.316   6.645  -5.867
   36   1HG1  VAL   6          1HG1      VAL   6   0.899   4.674  -7.204
   37   2HG1  VAL   6          2HG1      VAL   6   1.727   4.529  -5.653
   38   3HG1  VAL   6          3HG1      VAL   6   1.763   6.057  -6.532
   39   1HG2  VAL   6          1HG2      VAL   6  -1.041   4.207  -6.867
   40   2HG2  VAL   6          2HG2      VAL   6  -2.146   5.385  -6.160
   41   3HG2  VAL   6          3HG2      VAL   6  -1.508   4.071  -5.172
   42    H    ASP   7           H        ASP   7  -0.362   8.016  -3.401
   43    HA   ASP   7           HA       ASP   7   2.491   8.684  -3.096
   44   1HB   ASP   7          2HB       ASP   7   0.411   9.962  -4.592
   45   2HB   ASP   7          1HB       ASP   7   0.943  11.057  -3.321
   46    H    LYS   8           H        LYS   8   0.704   7.529  -1.074
   47    HA   LYS   8           HA       LYS   8   1.033   9.617   0.957
   48   1HB   LYS   8          2HB       LYS   8  -1.365   9.486   0.183
   49   2HB   LYS   8          1HB       LYS   8  -1.408   7.846   0.816
   50   1HG   LYS   8          2HG       LYS   8  -0.441   9.284   2.942
   51   2HG   LYS   8          1HG       LYS   8  -1.596  10.396   2.206
   52   1HD   LYS   8          2HD       LYS   8  -2.932   9.203   3.672
   53   2HD   LYS   8          1HD       LYS   8  -3.164   8.323   2.159
   54   1HE   LYS   8          2HE       LYS   8  -2.806   6.659   3.771
   55   2HE   LYS   8          1HE       LYS   8  -1.259   6.818   2.938
   56   1HZ   LYS   8          1HZ       LYS   8  -0.348   7.995   4.733
   57   2HZ   LYS   8          2HZ       LYS   8  -1.184   6.706   5.441
   58   3HZ   LYS   8          3HZ       LYS   8  -1.856   8.258   5.456
   59    H    SER   9           H        SER   9   0.009   6.215   0.601
   60    HA   SER   9           HA       SER   9   1.422   5.540   3.057
   61   1HB   SER   9          2HB       SER   9  -0.704   4.521   2.960
   62   2HB   SER   9          1HB       SER   9  -0.495   4.046   1.275
   63    HG   SER   9           HG       SER   9   1.003   3.021   3.458
   64    H    ARG  10           H        ARG  10   3.514   5.087   2.933
   65    HA   ARG  10           HA       ARG  10   4.941   4.537   0.605
   66   1HB   ARG  10          2HB       ARG  10   5.568   5.070   3.217
   67   2HB   ARG  10          1HB       ARG  10   6.071   3.391   3.062
   68   1HG   ARG  10          2HG       ARG  10   7.966   4.638   2.540
   69   2HG   ARG  10          1HG       ARG  10   7.328   4.131   0.974
   70   1HD   ARG  10          2HD       ARG  10   6.039   6.468   1.255
   71   2HD   ARG  10          1HD       ARG  10   7.494   6.823   2.185
   72    HE   ARG  10           HE       ARG  10   7.288   6.688  -0.628
   73   1HH1  ARG  10          1HH1      ARG  10   9.436   5.843   1.990
   74   2HH1  ARG  10          2HH1      ARG  10  10.864   5.947   1.018
   75   1HH2  ARG  10          1HH2      ARG  10   9.166   6.828  -1.908
   76   2HH2  ARG  10          2HH2      ARG  10  10.711   6.507  -1.195
   77    H    CYS  11           H        CYS  11   6.549   2.348   1.152
   78    HA   CYS  11           HA       CYS  11   5.114  -0.032   1.657
   79   1HB   CYS  11          2HB       CYS  11   4.371   0.921  -0.735
   80   2HB   CYS  11          1HB       CYS  11   5.828   0.064  -1.228
   81    H    ALA  12           H        ALA  12   6.432  -1.979   0.680
   82    HA   ALA  12           HA       ALA  12   9.198  -1.493   1.436
   83   1HB   ALA  12          1HB       ALA  12   9.051  -4.162   0.894
   84   2HB   ALA  12          2HB       ALA  12   7.394  -3.801   1.382
   85   3HB   ALA  12          3HB       ALA  12   8.734  -3.431   2.468
   86    H    LYS  13           H        LYS  13  10.702  -3.199   0.108
   87    HA   LYS  13           HA       LYS  13  11.275  -1.992  -2.308
   88   1HB   LYS  13          2HB       LYS  13  12.876  -3.393  -1.122
   89   2HB   LYS  13          1HB       LYS  13  11.896  -4.818  -1.437
   90   1HG   LYS  13          2HG       LYS  13  12.405  -4.793  -3.729
   91   2HG   LYS  13          1HG       LYS  13  13.040  -3.148  -3.652
   92   1HD   LYS  13          2HD       LYS  13  14.798  -4.095  -2.056
   93   2HD   LYS  13          1HD       LYS  13  14.269  -5.685  -2.609
   94   1HE   LYS  13          2HE       LYS  13  14.775  -5.039  -4.919
   95   2HE   LYS  13          1HE       LYS  13  15.316  -3.458  -4.355
   96   1HZ   LYS  13          1HZ       LYS  13  16.572  -5.758  -3.100
   97   2HZ   LYS  13          2HZ       LYS  13  17.250  -4.292  -3.602
   98   3HZ   LYS  13          3HZ       LYS  13  16.950  -5.515  -4.731
   99    H    TYR  14           H        TYR  14   9.323  -4.893  -1.713
  100    HA   TYR  14           HA       TYR  14   7.585  -4.472  -3.842
  101   1HB   TYR  14          2HB       TYR  14   8.438  -6.521  -5.240
  102   2HB   TYR  14          1HB       TYR  14   9.116  -4.921  -5.511
  103    HD1  TYR  14           1HD      TYR  14   9.989  -6.956  -2.567
  104    HD2  TYR  14           2HD      TYR  14  11.166  -5.732  -6.468
  105    HE1  TYR  14           1HE      TYR  14  12.243  -7.851  -2.161
  106    HE2  TYR  14           2HE      TYR  14  13.423  -6.624  -6.073
  107    HH   TYR  14           HH       TYR  14  14.169  -8.613  -3.376
  108    H    GLY  15           H        GLY  15   6.277  -6.484  -4.375
  109   1HA   GLY  15          2HA       GLY  15   5.618  -8.709  -3.707
  110   2HA   GLY  15          1HA       GLY  15   6.325  -8.394  -2.130
  111    H    TYR  16           H        TYR  16   4.632  -8.651  -0.793
  112    HA   TYR  16           HA       TYR  16   2.206  -7.078  -1.347
  113   1HB   TYR  16          2HB       TYR  16   2.029  -9.621  -1.208
  114   2HB   TYR  16          1HB       TYR  16   2.370  -9.448   0.510
  115    HD1  TYR  16           1HD      TYR  16   0.783  -8.079   1.925
  116    HD2  TYR  16           2HD      TYR  16  -0.143  -9.276  -2.051
  117    HE1  TYR  16           1HE      TYR  16  -1.601  -7.666   2.363
  118    HE2  TYR  16           2HE      TYR  16  -2.530  -8.866  -1.625
  119    HH   TYR  16           HH       TYR  16  -3.916  -7.491  -0.079
  120    H    TYR  17           H        TYR  17   1.578  -5.569   0.075
  121    HA   TYR  17           HA       TYR  17   2.872  -5.502   2.713
  122   1HB   TYR  17          2HB       TYR  17   3.885  -3.876   1.035
  123   2HB   TYR  17          1HB       TYR  17   2.345  -3.028   1.063
  124    HD1  TYR  17           1HD      TYR  17   3.149  -0.964   1.932
  125    HD2  TYR  17           2HD      TYR  17   3.909  -4.587   4.032
  126    HE1  TYR  17           1HE      TYR  17   3.906   0.331   3.882
  127    HE2  TYR  17           2HE      TYR  17   4.662  -3.302   5.988
  128    HH   TYR  17           HH       TYR  17   5.487  -0.124   5.894
  129    H    GLN  18           H        GLN  18   1.239  -5.941   4.054
  130    HA   GLN  18           HA       GLN  18  -1.447  -5.682   3.693
  131   1HB   GLN  18          2HB       GLN  18   0.021  -6.584   5.712
  132   2HB   GLN  18          1HB       GLN  18  -0.406  -5.027   6.405
  133   1HG   GLN  18          2HG       GLN  18  -2.830  -5.774   5.648
  134   2HG   GLN  18          1HG       GLN  18  -2.110  -7.375   5.809
  135   1HE2  GLN  18          1HE2      GLN  18  -2.585  -4.325   7.526
  136   2HE2  GLN  18          2HE2      GLN  18  -2.663  -5.019   9.106
  137    H    GLU  19           H        GLU  19   0.803  -3.142   4.508
  138    HA   GLU  19           HA       GLU  19  -1.082  -1.224   5.380
  139   1HB   GLU  19          2HB       GLU  19   1.730  -1.346   4.943
  140   2HB   GLU  19          1HB       GLU  19   1.119   0.068   4.096
  141   1HG   GLU  19          2HG       GLU  19  -0.002  -0.172   6.755
  142   2HG   GLU  19          1HG       GLU  19   1.760  -0.113   6.777
  143    H    CYS  20           H        CYS  20   0.266  -2.013   2.214
  144    HA   CYS  20           HA       CYS  20  -0.988   0.124   0.824
  145   1HB   CYS  20          2HB       CYS  20   1.019  -1.234   0.055
  146   2HB   CYS  20          1HB       CYS  20  -0.117  -2.506  -0.372
  147    H    GLN  21           H        GLN  21  -1.709  -3.369   0.914
  148    HA   GLN  21           HA       GLN  21  -4.070  -3.281  -0.551
  149   1HB   GLN  21          2HB       GLN  21  -4.601  -5.442   0.415
  150   2HB   GLN  21          1HB       GLN  21  -2.890  -5.360   0.020
  151   1HG   GLN  21          2HG       GLN  21  -2.335  -5.835   2.085
  152   2HG   GLN  21          1HG       GLN  21  -3.285  -4.492   2.708
  153   1HE2  GLN  21          1HE2      GLN  21  -5.797  -5.097   2.340
  154   2HE2  GLN  21          2HE2      GLN  21  -6.234  -6.591   3.088
  155    H    ASP  22           H        ASP  22  -3.466  -2.546   2.806
  156    HA   ASP  22           HA       ASP  22  -6.164  -2.575   3.678
  157   1HB   ASP  22          2HB       ASP  22  -4.253  -2.695   5.235
  158   2HB   ASP  22          1HB       ASP  22  -3.806  -1.047   4.805
  159    H    CYS  23           H        CYS  23  -4.002   0.018   2.581
  160    HA   CYS  23           HA       CYS  23  -5.756   2.164   2.910
  161   1HB   CYS  23          2HB       CYS  23  -3.205   1.974   2.164
  162   2HB   CYS  23          1HB       CYS  23  -3.934   2.159   0.580
  163    H    CYS  24           H        CYS  24  -4.994   0.429  -0.095
  164    HA   CYS  24           HA       CYS  24  -6.803   1.568  -1.796
  165   1HB   CYS  24          2HB       CYS  24  -5.072  -0.182  -2.345
  166   2HB   CYS  24          1HB       CYS  24  -6.206  -1.391  -1.754
  167    H    LYS  25           H        LYS  25  -7.423  -1.382   0.122
  168    HA   LYS  25           HA       LYS  25 -10.095  -1.712  -0.562
  169   1HB   LYS  25          2HB       LYS  25  -9.047  -3.498   0.558
  170   2HB   LYS  25          1HB       LYS  25  -8.496  -2.469   1.870
  171   1HG   LYS  25          2HG       LYS  25 -11.421  -2.785   1.475
  172   2HG   LYS  25          1HG       LYS  25 -10.513  -4.134   2.163
  173   1HD   LYS  25          2HD       LYS  25 -10.073  -1.403   3.268
  174   2HD   LYS  25          1HD       LYS  25 -11.551  -2.259   3.697
  175   1HE   LYS  25          2HE       LYS  25 -10.313  -3.159   5.334
  176   2HE   LYS  25          1HE       LYS  25  -9.668  -4.194   4.060
  177   1HZ   LYS  25          1HZ       LYS  25  -8.425  -1.941   5.433
  178   2HZ   LYS  25          2HZ       LYS  25  -8.072  -2.116   3.789
  179   3HZ   LYS  25          3HZ       LYS  25  -7.734  -3.378   4.864
  180    H    ASN  26           H        ASN  26  -8.612   0.352   1.863
  181    HA   ASN  26           HA       ASN  26 -11.011   1.096   3.183
  182   1HB   ASN  26          2HB       ASN  26  -8.304   1.491   3.604
  183   2HB   ASN  26          1HB       ASN  26  -8.896   3.107   3.242
  184   1HD2  ASN  26          1HD2      ASN  26  -9.688   0.264   5.201
  185   2HD2  ASN  26          2HD2      ASN  26 -10.254   1.152   6.570
  186    H    ALA  27           H        ALA  27  -9.479   2.125   0.258
  187    HA   ALA  27           HA       ALA  27 -10.833   4.659   0.104
  188   1HB   ALA  27          1HB       ALA  27  -9.018   3.105  -1.670
  189   2HB   ALA  27          2HB       ALA  27  -8.880   4.764  -1.086
  190   3HB   ALA  27          3HB       ALA  27 -10.010   4.376  -2.383
  191    H    GLY  28           H        GLY  28 -11.265   1.436  -1.254
  192   1HA   GLY  28          2HA       GLY  28 -13.870   1.122  -1.373
  193   2HA   GLY  28          1HA       GLY  28 -13.671   2.302  -2.657
  194    H    HIS  29           H        HIS  29 -11.453  -0.327  -1.861
  195    HA   HIS  29           HA       HIS  29 -12.294  -1.759  -4.271
  196   1HB   HIS  29          2HB       HIS  29  -9.389  -1.171  -3.708
  197   2HB   HIS  29          1HB       HIS  29 -10.077  -1.897  -5.155
  198    HD1  HIS  29           1HD      HIS  29 -11.994  -0.088  -6.274
  199    HD2  HIS  29           2HD      HIS  29  -8.729   1.398  -4.178
  200    HE1  HIS  29           1HE      HIS  29 -11.733   2.294  -7.036
  201    HE2  HIS  29           2HE      HIS  29  -9.714   3.156  -5.800
  202    H    ASN  30           H        ASN  30  -9.860  -3.477  -4.048
  203    HA   ASN  30           HA       ASN  30 -10.682  -4.994  -1.664
  204   1HB   ASN  30          2HB       ASN  30 -10.902  -5.838  -4.223
  205   2HB   ASN  30          1HB       ASN  30  -9.281  -6.417  -3.848
  206   1HD2  ASN  30          1HD2      ASN  30 -12.374  -6.201  -2.113
  207   2HD2  ASN  30          2HD2      ASN  30 -12.385  -7.847  -1.587
  208    H    GLY  31           H        GLY  31  -7.887  -4.303  -3.776
  209   1HA   GLY  31          2HA       GLY  31  -6.137  -3.902  -1.583
  210   2HA   GLY  31          1HA       GLY  31  -5.923  -5.524  -2.222
  211    H    GLY  32           H        GLY  32  -3.823  -5.105  -2.915
  212   1HA   GLY  32          2HA       GLY  32  -3.584  -4.158  -5.563
  213   2HA   GLY  32          1HA       GLY  32  -3.011  -2.921  -4.458
  214    H    THR  33           H        THR  33  -1.020  -3.380  -5.786
  215    HA   THR  33           HA       THR  33   0.492  -5.608  -4.586
  216    HB   THR  33           HB       THR  33   0.329  -6.088  -6.895
  217    HG1  THR  33           1HG      THR  33   2.385  -6.349  -7.140
  218   1HG2  THR  33          1HG2      THR  33  -0.455  -4.240  -8.009
  219   2HG2  THR  33          2HG2      THR  33   1.219  -4.317  -8.564
  220   3HG2  THR  33          3HG2      THR  33   0.756  -3.169  -7.306
  221    H    CYS  34           H        CYS  34   2.861  -5.203  -4.421
  222    HA   CYS  34           HA       CYS  34   3.376  -2.369  -3.798
  223   1HB   CYS  34          2HB       CYS  34   3.241  -3.846  -1.801
  224   2HB   CYS  34          1HB       CYS  34   4.585  -4.785  -2.442
  225    H    MET  35           H        MET  35   4.793  -1.466  -5.115
  226    HA   MET  35           HA       MET  35   6.777  -3.148  -6.465
  227   1HB   MET  35          2HB       MET  35   6.043  -0.299  -7.132
  228   2HB   MET  35          1HB       MET  35   6.911  -1.448  -8.134
  229   1HG   MET  35          2HG       MET  35   4.877  -2.817  -8.295
  230   2HG   MET  35          1HG       MET  35   4.015  -1.609  -7.344
  231   1HE   MET  35          1HE       MET  35   6.771  -0.428  -9.872
  232   2HE   MET  35          2HE       MET  35   5.914  -0.548 -11.409
  233   3HE   MET  35          3HE       MET  35   6.301  -2.009 -10.498
  234    H    PHE  36           H        PHE  36   8.572  -1.107  -7.150
  235    HA   PHE  36           HA       PHE  36  10.377  -1.108  -5.070
  236   1HB   PHE  36          2HB       PHE  36  10.485  -0.370  -7.669
  237   2HB   PHE  36          1HB       PHE  36  10.524   1.211  -6.902
  238    HD1  PHE  36           1HD      PHE  36  12.029   0.394  -4.416
  239    HD2  PHE  36           2HD      PHE  36  12.670  -0.454  -8.531
  240    HE1  PHE  36           1HE      PHE  36  14.436   0.123  -3.977
  241    HE2  PHE  36           2HE      PHE  36  15.078  -0.730  -8.105
  242    HZ   PHE  36           HZ       PHE  36  15.964  -0.442  -5.825
  243    H    PHE  37           H        PHE  37   8.762  -0.566  -3.397
  244    HA   PHE  37           HA       PHE  37   8.125   0.783  -1.686
  245   1HB   PHE  37          2HB       PHE  37  10.101   2.621  -3.027
  246   2HB   PHE  37          1HB       PHE  37   9.177   3.130  -1.617
  247    HD1  PHE  37           1HD      PHE  37  10.897  -0.055  -2.529
  248    HD2  PHE  37           2HD      PHE  37  10.522   3.154   0.241
  249    HE1  PHE  37           1HE      PHE  37  12.546  -1.136  -1.061
  250    HE2  PHE  37           2HE      PHE  37  12.173   2.077   1.715
  251    HZ   PHE  37           HZ       PHE  37  13.186  -0.073   1.063
  252    H    LYS  38           H        LYS  38   6.628   0.559  -4.112
  253    HA   LYS  38           HA       LYS  38   5.175   3.124  -4.032
  254   1HB   LYS  38          2HB       LYS  38   6.074   1.488  -6.324
  255   2HB   LYS  38          1HB       LYS  38   4.429   2.102  -6.431
  256   1HG   LYS  38          2HG       LYS  38   5.125   4.321  -6.419
  257   2HG   LYS  38          1HG       LYS  38   6.709   3.919  -5.753
  258   1HD   LYS  38          2HD       LYS  38   7.462   3.035  -7.802
  259   2HD   LYS  38          1HD       LYS  38   5.827   2.960  -8.461
  260   1HE   LYS  38          2HE       LYS  38   5.722   5.273  -8.776
  261   2HE   LYS  38          1HE       LYS  38   7.069   5.574  -7.680
  262   1HZ   LYS  38          1HZ       LYS  38   7.188   4.411 -10.404
  263   2HZ   LYS  38          2HZ       LYS  38   8.500   4.402  -9.335
  264   3HZ   LYS  38          3HZ       LYS  38   7.859   5.871  -9.875
  265    H    CYS  39           H        CYS  39   3.050   3.025  -3.584
  266    HA   CYS  39           HA       CYS  39   1.901   0.365  -3.140
  267   1HB   CYS  39          2HB       CYS  39   1.888   1.857  -1.211
  268   2HB   CYS  39          1HB       CYS  39   1.030   3.083  -2.137
  269    H    LYS  40           H        LYS  40   0.844  -0.379  -4.870
  270    HA   LYS  40           HA       LYS  40  -0.969   1.474  -6.278
  271   1HB   LYS  40          2HB       LYS  40   1.018   0.556  -7.588
  272   2HB   LYS  40          1HB       LYS  40   0.242  -1.018  -7.475
  273   1HG   LYS  40          2HG       LYS  40  -1.241  -0.533  -9.074
  274   2HG   LYS  40          1HG       LYS  40  -1.524   1.094  -8.452
  275   1HD   LYS  40          2HD       LYS  40   1.125   0.874  -9.571
  276   2HD   LYS  40          1HD       LYS  40  -0.092   0.373 -10.747
  277   1HE   LYS  40          2HE       LYS  40  -0.678   2.832  -9.220
  278   2HE   LYS  40          1HE       LYS  40   0.656   2.930 -10.369
  279   1HZ   LYS  40          1HZ       LYS  40  -0.724   2.747 -12.122
  280   2HZ   LYS  40          2HZ       LYS  40  -1.878   3.339 -11.036
  281   3HZ   LYS  40          3HZ       LYS  40  -1.781   1.679 -11.343
  282    H    CYS  41           H        CYS  41  -2.960   0.526  -7.099
  283    HA   CYS  41           HA       CYS  41  -4.044  -1.395  -5.226
  284   1HB   CYS  41          2HB       CYS  41  -5.169   0.493  -7.250
  285   2HB   CYS  41          1HB       CYS  41  -6.153  -0.831  -6.670
  286    H    ALA  42           H        ALA  42  -5.934  -2.727  -6.521
  287    HA   ALA  42           HA       ALA  42  -4.400  -4.501  -8.270
  288   1HB   ALA  42          1HB       ALA  42  -5.704  -6.212  -7.546
  289   2HB   ALA  42          2HB       ALA  42  -7.152  -5.212  -7.443
  290   3HB   ALA  42          3HB       ALA  42  -5.929  -5.125  -6.176
  Start of MODEL   10
    1   1H    ASP   1          1HT       ASP   1 -11.909  10.756  -4.266
    2   2H    ASP   1          2HT       ASP   1 -11.730  12.005  -3.104
    3   3H    ASP   1          3HT       ASP   1 -10.521  10.798  -3.261
    4    HA   ASP   1           HA       ASP   1 -10.273  11.578  -5.609
    5   1HB   ASP   1          2HB       ASP   1 -12.136  13.577  -4.414
    6   2HB   ASP   1          1HB       ASP   1 -10.901  14.172  -5.520
    7    H    ARG   2           H        ARG   2 -10.104  12.917  -2.375
    8    HA   ARG   2           HA       ARG   2  -7.489  14.108  -2.960
    9   1HB   ARG   2          2HB       ARG   2  -9.590  15.093  -1.532
   10   2HB   ARG   2          1HB       ARG   2  -8.609  14.398  -0.249
   11   1HG   ARG   2          2HG       ARG   2  -6.722  15.747  -0.895
   12   2HG   ARG   2          1HG       ARG   2  -7.603  16.367  -2.293
   13   1HD   ARG   2          2HD       ARG   2  -9.174  16.791   0.050
   14   2HD   ARG   2          1HD       ARG   2  -7.544  17.392   0.345
   15    HE   ARG   2           HE       ARG   2  -9.491  18.459  -1.498
   16   1HH1  ARG   2          1HH1      ARG   2  -6.112  18.310  -0.629
   17   2HH1  ARG   2          2HH1      ARG   2  -5.715  19.795  -1.426
   18   1HH2  ARG   2          1HH2      ARG   2  -8.968  20.410  -2.546
   19   2HH2  ARG   2          2HH2      ARG   2  -7.336  20.987  -2.513
   20    H    ASP   3           H        ASP   3  -7.858  11.248  -2.803
   21    HA   ASP   3           HA       ASP   3  -6.519  10.546  -0.295
   22   1HB   ASP   3          2HB       ASP   3  -8.359   9.190  -2.067
   23   2HB   ASP   3          1HB       ASP   3  -6.919   8.211  -1.805
   24    H    SER   4           H        SER   4  -6.146   8.990  -3.456
   25    HA   SER   4           HA       SER   4  -4.289   8.337  -4.600
   26   1HB   SER   4          2HB       SER   4  -3.339  11.059  -3.677
   27   2HB   SER   4          1HB       SER   4  -2.559  10.095  -4.931
   28    HG   SER   4           HG       SER   4  -4.309  10.360  -6.231
   29    H    CYS   5           H        CYS   5  -4.157   6.788  -2.661
   30    HA   CYS   5           HA       CYS   5  -2.245   7.147  -0.641
   31   1HB   CYS   5          2HB       CYS   5  -4.106   5.301  -1.018
   32   2HB   CYS   5          1HB       CYS   5  -2.761   4.414  -1.726
   33    H    VAL   6           H        VAL   6  -1.937   6.194  -3.973
   34    HA   VAL   6           HA       VAL   6   0.369   4.811  -4.167
   35    HB   VAL   6           HB       VAL   6  -1.090   5.829  -6.025
   36   1HG1  VAL   6          1HG1      VAL   6  -0.211   7.812  -7.122
   37   2HG1  VAL   6          2HG1      VAL   6   0.982   8.003  -5.839
   38   3HG1  VAL   6          3HG1      VAL   6  -0.735   8.176  -5.478
   39   1HG2  VAL   6          1HG2      VAL   6   1.436   6.046  -7.266
   40   2HG2  VAL   6          2HG2      VAL   6   0.350   4.659  -7.239
   41   3HG2  VAL   6          3HG2      VAL   6   1.581   4.837  -5.990
   42    H    ASP   7           H        ASP   7   0.152   8.305  -3.688
   43    HA   ASP   7           HA       ASP   7   3.009   8.311  -2.953
   44   1HB   ASP   7          2HB       ASP   7   1.842   9.771  -4.954
   45   2HB   ASP   7          1HB       ASP   7   1.797  10.910  -3.611
   46    H    LYS   8           H        LYS   8   1.026   7.604  -1.107
   47    HA   LYS   8           HA       LYS   8   1.177   9.890   0.740
   48   1HB   LYS   8          2HB       LYS   8  -1.155   9.267  -0.315
   49   2HB   LYS   8          1HB       LYS   8  -1.126   7.990   0.894
   50   1HG   LYS   8          2HG       LYS   8  -0.515  10.035   2.474
   51   2HG   LYS   8          1HG       LYS   8  -1.400  10.917   1.228
   52   1HD   LYS   8          2HD       LYS   8  -2.910  10.238   3.001
   53   2HD   LYS   8          1HD       LYS   8  -3.296   9.372   1.512
   54   1HE   LYS   8          2HE       LYS   8  -2.599   7.362   2.338
   55   2HE   LYS   8          1HE       LYS   8  -1.395   8.094   3.398
   56   1HZ   LYS   8          1HZ       LYS   8  -3.170   7.167   4.700
   57   2HZ   LYS   8          2HZ       LYS   8  -4.331   8.044   3.837
   58   3HZ   LYS   8          3HZ       LYS   8  -3.224   8.854   4.827
   59    H    SER   9           H        SER   9   0.727   6.377   0.461
   60    HA   SER   9           HA       SER   9   1.848   6.062   3.156
   61   1HB   SER   9          2HB       SER   9  -0.387   4.976   2.406
   62   2HB   SER   9          1HB       SER   9   0.640   3.828   1.546
   63    HG   SER   9           HG       SER   9   0.081   3.161   3.696
   64    H    ARG  10           H        ARG  10   3.556   4.624   3.554
   65    HA   ARG  10           HA       ARG  10   5.425   4.387   1.354
   66   1HB   ARG  10          2HB       ARG  10   5.977   5.134   3.754
   67   2HB   ARG  10          1HB       ARG  10   5.871   3.428   4.171
   68   1HG   ARG  10          2HG       ARG  10   7.550   3.162   2.176
   69   2HG   ARG  10          1HG       ARG  10   7.892   4.858   2.526
   70   1HD   ARG  10          2HD       ARG  10   7.970   2.638   4.563
   71   2HD   ARG  10          1HD       ARG  10   9.384   3.264   3.719
   72    HE   ARG  10           HE       ARG  10   7.791   4.670   5.739
   73   1HH1  ARG  10          1HH1      ARG  10  10.585   4.597   3.634
   74   2HH1  ARG  10          2HH1      ARG  10  11.373   5.908   4.440
   75   1HH2  ARG  10          1HH2      ARG  10   8.833   6.393   6.786
   76   2HH2  ARG  10          2HH2      ARG  10  10.382   6.929   6.226
   77    H    CYS  11           H        CYS  11   6.458   2.425   0.762
   78    HA   CYS  11           HA       CYS  11   5.026  -0.024   1.531
   79   1HB   CYS  11          2HB       CYS  11   4.535   1.070  -0.845
   80   2HB   CYS  11          1HB       CYS  11   6.021   0.233  -1.268
   81    H    ALA  12           H        ALA  12   6.310  -2.002   0.636
   82    HA   ALA  12           HA       ALA  12   9.027  -1.712   1.623
   83   1HB   ALA  12          1HB       ALA  12   8.418  -3.661   2.536
   84   2HB   ALA  12          2HB       ALA  12   8.717  -4.359   0.945
   85   3HB   ALA  12          3HB       ALA  12   7.084  -3.875   1.403
   86    H    LYS  13           H        LYS  13  10.454  -3.585   0.312
   87    HA   LYS  13           HA       LYS  13  11.299  -2.301  -1.998
   88   1HB   LYS  13          2HB       LYS  13  12.323  -4.218  -0.440
   89   2HB   LYS  13          1HB       LYS  13  11.769  -5.215  -1.771
   90   1HG   LYS  13          2HG       LYS  13  13.371  -4.483  -3.161
   91   2HG   LYS  13          1HG       LYS  13  13.267  -2.825  -2.567
   92   1HD   LYS  13          2HD       LYS  13  14.642  -5.121  -1.173
   93   2HD   LYS  13          1HD       LYS  13  15.440  -3.818  -2.052
   94   1HE   LYS  13          2HE       LYS  13  13.807  -2.479  -0.283
   95   2HE   LYS  13          1HE       LYS  13  14.368  -3.864   0.654
   96   1HZ   LYS  13          1HZ       LYS  13  16.209  -2.104  -0.861
   97   2HZ   LYS  13          2HZ       LYS  13  16.602  -3.244   0.327
   98   3HZ   LYS  13          3HZ       LYS  13  15.795  -1.821   0.756
   99    H    TYR  14           H        TYR  14   9.149  -5.101  -1.636
  100    HA   TYR  14           HA       TYR  14   7.560  -4.549  -3.823
  101   1HB   TYR  14          2HB       TYR  14   8.537  -6.577  -5.270
  102   2HB   TYR  14          1HB       TYR  14   9.052  -4.912  -5.511
  103    HD1  TYR  14           1HD      TYR  14  10.048  -7.184  -2.742
  104    HD2  TYR  14           2HD      TYR  14  11.236  -5.206  -6.315
  105    HE1  TYR  14           1HE      TYR  14  12.379  -7.847  -2.327
  106    HE2  TYR  14           2HE      TYR  14  13.569  -5.865  -5.912
  107    HH   TYR  14           HH       TYR  14  14.690  -7.914  -4.520
  108    H    GLY  15           H        GLY  15   6.027  -6.220  -4.320
  109   1HA   GLY  15          2HA       GLY  15   5.365  -8.567  -3.967
  110   2HA   GLY  15          1HA       GLY  15   6.078  -8.440  -2.367
  111    H    TYR  16           H        TYR  16   4.397  -8.755  -1.043
  112    HA   TYR  16           HA       TYR  16   1.954  -7.182  -1.491
  113   1HB   TYR  16          2HB       TYR  16   1.812  -9.707  -1.339
  114   2HB   TYR  16          1HB       TYR  16   2.271  -9.552   0.353
  115    HD1  TYR  16           1HD      TYR  16   0.773  -8.033   1.822
  116    HD2  TYR  16           2HD      TYR  16  -0.429  -9.596  -1.947
  117    HE1  TYR  16           1HE      TYR  16  -1.582  -7.675   2.433
  118    HE2  TYR  16           2HE      TYR  16  -2.787  -9.242  -1.349
  119    HH   TYR  16           HH       TYR  16  -4.007  -7.520   0.390
  120    H    TYR  17           H        TYR  17   1.493  -5.553  -0.175
  121    HA   TYR  17           HA       TYR  17   2.813  -5.447   2.457
  122   1HB   TYR  17          2HB       TYR  17   3.512  -3.782   0.512
  123   2HB   TYR  17          1HB       TYR  17   2.069  -2.925   1.040
  124    HD1  TYR  17           1HD      TYR  17   2.880  -1.011   2.098
  125    HD2  TYR  17           2HD      TYR  17   4.568  -4.792   3.077
  126    HE1  TYR  17           1HE      TYR  17   4.170   0.041   3.910
  127    HE2  TYR  17           2HE      TYR  17   5.859  -3.752   4.893
  128    HH   TYR  17           HH       TYR  17   6.142  -0.354   5.235
  129    H    GLN  18           H        GLN  18   1.323  -5.746   3.971
  130    HA   GLN  18           HA       GLN  18  -1.412  -5.645   3.690
  131   1HB   GLN  18          2HB       GLN  18   0.221  -6.384   5.683
  132   2HB   GLN  18          1HB       GLN  18  -0.332  -4.848   6.335
  133   1HG   GLN  18          2HG       GLN  18  -1.997  -6.077   7.179
  134   2HG   GLN  18          1HG       GLN  18  -2.681  -5.928   5.560
  135   1HE2  GLN  18          1HE2      GLN  18  -1.960  -8.050   7.954
  136   2HE2  GLN  18          2HE2      GLN  18  -1.872  -9.510   7.035
  137    H    GLU  19           H        GLU  19   0.797  -3.016   4.181
  138    HA   GLU  19           HA       GLU  19  -1.109  -1.114   5.105
  139   1HB   GLU  19          2HB       GLU  19   1.596  -1.153   4.975
  140   2HB   GLU  19          1HB       GLU  19   1.233  -0.132   3.591
  141   1HG   GLU  19          2HG       GLU  19   0.607   1.591   4.869
  142   2HG   GLU  19          1HG       GLU  19  -0.249   0.561   6.017
  143    H    CYS  20           H        CYS  20   0.159  -1.985   1.925
  144    HA   CYS  20           HA       CYS  20  -1.197   0.084   0.520
  145   1HB   CYS  20          2HB       CYS  20   0.793  -1.686  -0.107
  146   2HB   CYS  20          1HB       CYS  20  -0.570  -2.356  -0.995
  147    H    GLN  21           H        GLN  21  -1.868  -3.386   0.974
  148    HA   GLN  21           HA       GLN  21  -4.232  -3.438  -0.541
  149   1HB   GLN  21          2HB       GLN  21  -4.725  -5.542   0.597
  150   2HB   GLN  21          1HB       GLN  21  -3.042  -5.475   0.093
  151   1HG   GLN  21          2HG       GLN  21  -2.389  -5.874   2.142
  152   2HG   GLN  21          1HG       GLN  21  -3.221  -4.436   2.722
  153   1HE2  GLN  21          1HE2      GLN  21  -5.623  -4.738   3.022
  154   2HE2  GLN  21          2HE2      GLN  21  -6.133  -6.217   3.755
  155    H    ASP  22           H        ASP  22  -3.588  -2.521   2.769
  156    HA   ASP  22           HA       ASP  22  -6.288  -2.536   3.656
  157   1HB   ASP  22          2HB       ASP  22  -3.689  -1.590   4.698
  158   2HB   ASP  22          1HB       ASP  22  -5.102  -0.733   5.303
  159    H    CYS  23           H        CYS  23  -4.144  -0.005   2.405
  160    HA   CYS  23           HA       CYS  23  -5.854   2.174   2.702
  161   1HB   CYS  23          2HB       CYS  23  -3.339   1.903   1.863
  162   2HB   CYS  23          1HB       CYS  23  -4.130   2.047   0.305
  163    H    CYS  24           H        CYS  24  -5.234   0.340  -0.283
  164    HA   CYS  24           HA       CYS  24  -7.173   1.463  -1.881
  165   1HB   CYS  24          2HB       CYS  24  -5.348  -0.245  -2.465
  166   2HB   CYS  24          1HB       CYS  24  -6.512  -1.471  -1.983
  167    H    LYS  25           H        LYS  25  -7.515  -1.561  -0.012
  168    HA   LYS  25           HA       LYS  25 -10.155  -2.116  -0.533
  169   1HB   LYS  25          2HB       LYS  25  -8.821  -3.695   0.667
  170   2HB   LYS  25          1HB       LYS  25  -8.531  -2.554   1.972
  171   1HG   LYS  25          2HG       LYS  25 -11.332  -3.361   1.380
  172   2HG   LYS  25          1HG       LYS  25 -10.274  -4.493   2.225
  173   1HD   LYS  25          2HD       LYS  25 -10.145  -1.766   3.268
  174   2HD   LYS  25          1HD       LYS  25 -11.743  -2.501   3.404
  175   1HE   LYS  25          2HE       LYS  25 -10.791  -3.205   5.365
  176   2HE   LYS  25          1HE       LYS  25 -10.376  -4.551   4.304
  177   1HZ   LYS  25          1HZ       LYS  25  -8.478  -2.340   4.442
  178   2HZ   LYS  25          2HZ       LYS  25  -8.195  -4.002   4.307
  179   3HZ   LYS  25          3HZ       LYS  25  -8.593  -3.331   5.808
  180    H    ASN  26           H        ASN  26  -8.822   0.132   1.840
  181    HA   ASN  26           HA       ASN  26 -11.308   0.751   3.074
  182   1HB   ASN  26          2HB       ASN  26  -8.647   1.299   3.601
  183   2HB   ASN  26          1HB       ASN  26  -9.307   2.875   3.186
  184   1HD2  ASN  26          1HD2      ASN  26  -8.984   0.526   5.575
  185   2HD2  ASN  26          2HD2      ASN  26 -10.058   1.208   6.743
  186    H    ALA  27           H        ALA  27  -9.695   1.847   0.211
  187    HA   ALA  27           HA       ALA  27 -11.149   4.302  -0.053
  188   1HB   ALA  27          1HB       ALA  27  -9.846   4.694  -1.856
  189   2HB   ALA  27          2HB       ALA  27 -10.023   3.053  -2.478
  190   3HB   ALA  27          3HB       ALA  27  -8.881   3.384  -1.176
  191    H    GLY  28           H        GLY  28 -11.603   0.990  -1.055
  192   1HA   GLY  28          2HA       GLY  28 -14.116   0.564  -1.266
  193   2HA   GLY  28          1HA       GLY  28 -14.010   1.762  -2.543
  194    H    HIS  29           H        HIS  29 -11.581  -0.696  -1.875
  195    HA   HIS  29           HA       HIS  29 -12.435  -2.175  -4.254
  196   1HB   HIS  29          2HB       HIS  29  -9.582  -1.307  -3.754
  197   2HB   HIS  29          1HB       HIS  29 -10.167  -2.233  -5.132
  198    HD1  HIS  29           1HD      HIS  29 -12.384  -0.727  -6.273
  199    HD2  HIS  29           2HD      HIS  29  -9.136   1.225  -4.570
  200    HE1  HIS  29           1HE      HIS  29 -12.385   1.579  -7.274
  201    HE2  HIS  29           2HE      HIS  29 -10.358   2.711  -6.297
  202    H    ASN  30           H        ASN  30  -9.931  -3.777  -4.136
  203    HA   ASN  30           HA       ASN  30 -10.681  -5.435  -1.836
  204   1HB   ASN  30          2HB       ASN  30 -10.396  -6.103  -4.497
  205   2HB   ASN  30          1HB       ASN  30  -8.869  -6.634  -3.799
  206   1HD2  ASN  30          1HD2      ASN  30  -8.817  -8.478  -2.689
  207   2HD2  ASN  30          2HD2      ASN  30 -10.201  -9.425  -2.270
  208    H    GLY  31           H        GLY  31  -7.789  -4.354  -3.628
  209   1HA   GLY  31          2HA       GLY  31  -6.346  -3.764  -1.265
  210   2HA   GLY  31          1HA       GLY  31  -5.868  -5.341  -1.875
  211    H    GLY  32           H        GLY  32  -3.754  -4.495  -2.207
  212   1HA   GLY  32          2HA       GLY  32  -3.469  -3.316  -4.839
  213   2HA   GLY  32          1HA       GLY  32  -2.868  -2.329  -3.517
  214    H    THR  33           H        THR  33  -1.110  -3.012  -5.405
  215    HA   THR  33           HA       THR  33   0.433  -5.240  -4.252
  216    HB   THR  33           HB       THR  33  -0.150  -5.619  -6.585
  217    HG1  THR  33           1HG      THR  33   1.785  -6.319  -7.020
  218   1HG2  THR  33          1HG2      THR  33   1.158  -4.048  -8.236
  219   2HG2  THR  33          2HG2      THR  33   0.888  -2.866  -6.957
  220   3HG2  THR  33          3HG2      THR  33  -0.484  -3.675  -7.714
  221    H    CYS  34           H        CYS  34   2.829  -4.970  -4.431
  222    HA   CYS  34           HA       CYS  34   3.580  -2.178  -3.863
  223   1HB   CYS  34          2HB       CYS  34   3.656  -3.912  -1.965
  224   2HB   CYS  34          1HB       CYS  34   5.048  -4.580  -2.806
  225    H    MET  35           H        MET  35   4.931  -1.291  -5.271
  226    HA   MET  35           HA       MET  35   6.793  -3.039  -6.739
  227   1HB   MET  35          2HB       MET  35   4.859  -1.028  -7.758
  228   2HB   MET  35          1HB       MET  35   6.428  -1.101  -8.548
  229   1HG   MET  35          2HG       MET  35   5.257  -3.729  -8.171
  230   2HG   MET  35          1HG       MET  35   4.228  -2.656  -9.119
  231   1HE   MET  35          1HE       MET  35   5.957  -1.196 -11.583
  232   2HE   MET  35          2HE       MET  35   4.420  -1.934 -11.134
  233   3HE   MET  35          3HE       MET  35   5.406  -2.655 -12.406
  234    H    PHE  36           H        PHE  36   8.673  -2.552  -5.721
  235    HA   PHE  36           HA       PHE  36  10.406  -1.343  -4.845
  236   1HB   PHE  36          2HB       PHE  36  10.838  -1.264  -7.240
  237   2HB   PHE  36          1HB       PHE  36   9.850   0.181  -7.387
  238    HD1  PHE  36           1HD      PHE  36  12.971  -1.170  -5.992
  239    HD2  PHE  36           2HD      PHE  36  10.741   2.327  -6.924
  240    HE1  PHE  36           1HE      PHE  36  14.968   0.206  -5.575
  241    HE2  PHE  36           2HE      PHE  36  12.733   3.714  -6.511
  242    HZ   PHE  36           HZ       PHE  36  14.850   2.653  -5.836
  243    H    PHE  37           H        PHE  37   9.061  -0.578  -3.038
  244    HA   PHE  37           HA       PHE  37   8.318   1.022  -1.614
  245   1HB   PHE  37          2HB       PHE  37  10.023   2.938  -3.201
  246   2HB   PHE  37          1HB       PHE  37   9.618   3.012  -1.488
  247    HD1  PHE  37           1HD      PHE  37  10.081  -0.015  -1.029
  248    HD2  PHE  37           2HD      PHE  37  12.399   3.043  -2.868
  249    HE1  PHE  37           1HE      PHE  37  12.134  -1.254  -0.487
  250    HE2  PHE  37           2HE      PHE  37  14.459   1.806  -2.333
  251    HZ   PHE  37           HZ       PHE  37  14.325  -0.349  -1.142
  252    H    LYS  38           H        LYS  38   6.953   0.700  -4.329
  253    HA   LYS  38           HA       LYS  38   5.541   3.285  -4.316
  254   1HB   LYS  38          2HB       LYS  38   6.797   2.303  -6.451
  255   2HB   LYS  38          1HB       LYS  38   5.286   1.421  -6.628
  256   1HG   LYS  38          2HG       LYS  38   4.285   3.856  -6.249
  257   2HG   LYS  38          1HG       LYS  38   5.850   4.307  -6.930
  258   1HD   LYS  38          2HD       LYS  38   5.309   2.569  -8.756
  259   2HD   LYS  38          1HD       LYS  38   3.650   2.687  -8.167
  260   1HE   LYS  38          2HE       LYS  38   5.277   5.081  -8.988
  261   2HE   LYS  38          1HE       LYS  38   4.252   4.187 -10.110
  262   1HZ   LYS  38          1HZ       LYS  38   2.346   4.683  -8.730
  263   2HZ   LYS  38          2HZ       LYS  38   3.121   6.118  -9.177
  264   3HZ   LYS  38          3HZ       LYS  38   3.319   5.502  -7.615
  265    H    CYS  39           H        CYS  39   3.392   3.288  -3.936
  266    HA   CYS  39           HA       CYS  39   2.165   0.693  -3.331
  267   1HB   CYS  39          2HB       CYS  39   2.246   3.102  -1.912
  268   2HB   CYS  39          1HB       CYS  39   0.599   2.997  -2.524
  269    H    LYS  40           H        LYS  40   0.667  -0.120  -4.625
  270    HA   LYS  40           HA       LYS  40  -0.981   1.712  -6.224
  271   1HB   LYS  40          2HB       LYS  40   1.071   0.377  -7.387
  272   2HB   LYS  40          1HB       LYS  40  -0.207  -0.820  -7.550
  273   1HG   LYS  40          2HG       LYS  40  -0.095   0.549  -9.530
  274   2HG   LYS  40          1HG       LYS  40  -1.609   0.852  -8.676
  275   1HD   LYS  40          2HD       LYS  40   0.132   2.702  -7.587
  276   2HD   LYS  40          1HD       LYS  40   0.583   2.665  -9.293
  277   1HE   LYS  40          2HE       LYS  40  -2.308   2.725  -8.768
  278   2HE   LYS  40          1HE       LYS  40  -1.429   4.166  -8.261
  279   1HZ   LYS  40          1HZ       LYS  40  -1.900   3.124 -10.943
  280   2HZ   LYS  40          2HZ       LYS  40  -0.401   3.854 -10.664
  281   3HZ   LYS  40          3HZ       LYS  40  -1.826   4.726 -10.402
  282    H    CYS  41           H        CYS  41  -2.913   0.523  -7.174
  283    HA   CYS  41           HA       CYS  41  -4.024  -1.167  -5.087
  284   1HB   CYS  41          2HB       CYS  41  -5.126   0.521  -7.269
  285   2HB   CYS  41          1HB       CYS  41  -6.087  -0.831  -6.725
  286    H    ALA  42           H        ALA  42  -5.849  -2.662  -6.268
  287    HA   ALA  42           HA       ALA  42  -4.341  -4.385  -8.129
  288   1HB   ALA  42          1HB       ALA  42  -4.978  -5.084  -5.613
  289   2HB   ALA  42          2HB       ALA  42  -4.841  -6.238  -6.940
  290   3HB   ALA  42          3HB       ALA  42  -6.426  -5.633  -6.457
  Start of MODEL   11
    1   1H    ASP   1          1HT       ASP   1 -10.971  15.949  -3.732
    2   2H    ASP   1          2HT       ASP   1  -9.471  15.477  -3.045
    3   3H    ASP   1          3HT       ASP   1 -10.234  14.478  -4.213
    4    HA   ASP   1           HA       ASP   1 -10.052  16.412  -5.759
    5   1HB   ASP   1          2HB       ASP   1  -8.558  17.322  -3.354
    6   2HB   ASP   1          1HB       ASP   1  -7.848  17.698  -4.921
    7    H    ARG   2           H        ARG   2  -7.484  14.986  -3.736
    8    HA   ARG   2           HA       ARG   2  -6.622  13.301  -5.899
    9   1HB   ARG   2          2HB       ARG   2  -4.224  14.216  -5.692
   10   2HB   ARG   2          1HB       ARG   2  -5.372  15.118  -6.669
   11   1HG   ARG   2          2HG       ARG   2  -5.570  16.816  -5.094
   12   2HG   ARG   2          1HG       ARG   2  -4.936  15.808  -3.790
   13   1HD   ARG   2          2HD       ARG   2  -3.243  16.528  -6.158
   14   2HD   ARG   2          1HD       ARG   2  -3.418  17.634  -4.796
   15    HE   ARG   2           HE       ARG   2  -2.708  15.042  -3.899
   16   1HH1  ARG   2          1HH1      ARG   2  -1.381  17.875  -5.446
   17   2HH1  ARG   2          2HH1      ARG   2   0.227  17.587  -4.872
   18   1HH2  ARG   2          1HH2      ARG   2  -0.593  14.663  -3.143
   19   2HH2  ARG   2          2HH2      ARG   2   0.675  15.764  -3.565
   20    H    ASP   3           H        ASP   3  -6.828  11.537  -4.602
   21    HA   ASP   3           HA       ASP   3  -5.550  11.515  -1.990
   22   1HB   ASP   3          2HB       ASP   3  -6.551   8.965  -2.427
   23   2HB   ASP   3          1HB       ASP   3  -7.348  10.253  -1.537
   24    H    SER   4           H        SER   4  -5.694   8.854  -4.326
   25    HA   SER   4           HA       SER   4  -4.106   7.378  -5.024
   26   1HB   SER   4          2HB       SER   4  -2.525   9.954  -5.113
   27   2HB   SER   4          1HB       SER   4  -1.944   8.429  -5.782
   28    HG   SER   4           HG       SER   4  -4.434   9.547  -6.521
   29    H    CYS   5           H        CYS   5  -3.769   6.011  -3.329
   30    HA   CYS   5           HA       CYS   5  -2.356   6.656  -0.977
   31   1HB   CYS   5          2HB       CYS   5  -3.092   4.039  -2.273
   32   2HB   CYS   5          1HB       CYS   5  -2.178   4.102  -0.771
   33    H    VAL   6           H        VAL   6  -1.262   5.969  -4.135
   34    HA   VAL   6           HA       VAL   6   1.133   4.662  -3.796
   35    HB   VAL   6           HB       VAL   6   0.784   6.985  -5.656
   36   1HG1  VAL   6          1HG1      VAL   6   3.000   5.531  -5.208
   37   2HG1  VAL   6          2HG1      VAL   6   2.604   6.254  -6.767
   38   3HG1  VAL   6          3HG1      VAL   6   2.235   4.556  -6.464
   39   1HG2  VAL   6          1HG2      VAL   6   0.255   4.495  -6.935
   40   2HG2  VAL   6          2HG2      VAL   6  -0.800   5.899  -6.769
   41   3HG2  VAL   6          3HG2      VAL   6  -0.796   4.647  -5.528
   42    H    ASP   7           H        ASP   7   0.435   8.089  -3.324
   43    HA   ASP   7           HA       ASP   7   3.186   8.522  -2.407
   44   1HB   ASP   7          2HB       ASP   7   1.394  10.091  -3.922
   45   2HB   ASP   7          1HB       ASP   7   1.575  10.910  -2.374
   46    H    LYS   8           H        LYS   8  -0.112   8.407  -1.312
   47    HA   LYS   8           HA       LYS   8   0.220   9.748   1.152
   48   1HB   LYS   8          2HB       LYS   8  -1.919   8.800  -0.198
   49   2HB   LYS   8          1HB       LYS   8  -1.750   7.544   1.021
   50   1HG   LYS   8          2HG       LYS   8  -1.684   9.463   2.715
   51   2HG   LYS   8          1HG       LYS   8  -2.304  10.462   1.400
   52   1HD   LYS   8          2HD       LYS   8  -3.689   7.893   1.883
   53   2HD   LYS   8          1HD       LYS   8  -3.890   9.144   3.111
   54   1HE   LYS   8          2HE       LYS   8  -4.176  10.062   0.333
   55   2HE   LYS   8          1HE       LYS   8  -5.410   8.925   0.874
   56   1HZ   LYS   8          1HZ       LYS   8  -4.919  11.663   1.705
   57   2HZ   LYS   8          2HZ       LYS   8  -5.330  10.588   2.945
   58   3HZ   LYS   8          3HZ       LYS   8  -6.371  10.796   1.628
   59    H    SER   9           H        SER   9  -0.195   6.241   0.622
   60    HA   SER   9           HA       SER   9   1.184   5.739   3.145
   61   1HB   SER   9          2HB       SER   9  -1.038   4.617   2.375
   62   2HB   SER   9          1HB       SER   9   0.013   3.592   1.399
   63    HG   SER   9           HG       SER   9   1.176   3.237   3.467
   64    H    ARG  10           H        ARG  10   3.033   4.493   3.335
   65    HA   ARG  10           HA       ARG  10   4.712   4.424   0.968
   66   1HB   ARG  10          2HB       ARG  10   5.526   5.327   3.153
   67   2HB   ARG  10          1HB       ARG  10   5.399   3.704   3.821
   68   1HG   ARG  10          2HG       ARG  10   7.132   2.895   2.482
   69   2HG   ARG  10          1HG       ARG  10   7.061   4.286   1.400
   70   1HD   ARG  10          2HD       ARG  10   7.569   5.475   3.799
   71   2HD   ARG  10          1HD       ARG  10   8.444   3.954   3.965
   72    HE   ARG  10           HE       ARG  10   9.213   4.837   1.531
   73   1HH1  ARG  10          1HH1      ARG  10   9.142   6.328   4.686
   74   2HH1  ARG  10          2HH1      ARG  10  10.502   7.353   4.369
   75   1HH2  ARG  10          1HH2      ARG  10  11.003   6.181   1.115
   76   2HH2  ARG  10          2HH2      ARG  10  11.559   7.269   2.341
   77    H    CYS  11           H        CYS  11   6.130   2.484   0.642
   78    HA   CYS  11           HA       CYS  11   4.888  -0.035   1.452
   79   1HB   CYS  11          2HB       CYS  11   4.108   0.882  -0.891
   80   2HB   CYS  11          1HB       CYS  11   5.669   0.268  -1.419
   81    H    ALA  12           H        ALA  12   6.266  -1.932   0.726
   82    HA   ALA  12           HA       ALA  12   9.030  -1.327   1.392
   83   1HB   ALA  12          1HB       ALA  12   8.794  -4.077   1.021
   84   2HB   ALA  12          2HB       ALA  12   7.251  -3.580   1.713
   85   3HB   ALA  12          3HB       ALA  12   8.755  -3.206   2.553
   86    H    LYS  13           H        LYS  13  10.424  -3.335   0.172
   87    HA   LYS  13           HA       LYS  13  11.179  -2.321  -2.248
   88   1HB   LYS  13          2HB       LYS  13  12.155  -4.238  -0.739
   89   2HB   LYS  13          1HB       LYS  13  11.279  -5.276  -1.848
   90   1HG   LYS  13          2HG       LYS  13  12.672  -4.838  -3.584
   91   2HG   LYS  13          1HG       LYS  13  13.020  -3.198  -3.031
   92   1HD   LYS  13          2HD       LYS  13  15.024  -4.365  -2.701
   93   2HD   LYS  13          1HD       LYS  13  14.281  -4.306  -1.103
   94   1HE   LYS  13          2HE       LYS  13  14.325  -6.521  -0.986
   95   2HE   LYS  13          1HE       LYS  13  13.337  -6.632  -2.441
   96   1HZ   LYS  13          1HZ       LYS  13  15.101  -7.153  -3.692
   97   2HZ   LYS  13          2HZ       LYS  13  15.841  -7.567  -2.228
   98   3HZ   LYS  13          3HZ       LYS  13  16.127  -6.051  -2.920
   99    H    TYR  14           H        TYR  14   9.108  -5.211  -1.879
  100    HA   TYR  14           HA       TYR  14   7.231  -4.443  -3.801
  101   1HB   TYR  14          2HB       TYR  14   7.978  -6.293  -5.516
  102   2HB   TYR  14          1HB       TYR  14   8.642  -4.668  -5.609
  103    HD1  TYR  14           1HD      TYR  14   9.512  -7.538  -3.381
  104    HD2  TYR  14           2HD      TYR  14  10.798  -4.860  -6.424
  105    HE1  TYR  14           1HE      TYR  14  11.782  -8.466  -3.228
  106    HE2  TYR  14           2HE      TYR  14  13.073  -5.780  -6.280
  107    HH   TYR  14           HH       TYR  14  14.100  -8.040  -5.520
  108    H    GLY  15           H        GLY  15   5.742  -6.214  -4.400
  109   1HA   GLY  15          2HA       GLY  15   5.102  -8.548  -4.050
  110   2HA   GLY  15          1HA       GLY  15   5.924  -8.472  -2.500
  111    H    TYR  16           H        TYR  16   4.410  -8.746  -1.004
  112    HA   TYR  16           HA       TYR  16   1.881  -7.267  -1.276
  113   1HB   TYR  16          2HB       TYR  16   1.884  -9.815  -1.032
  114   2HB   TYR  16          1HB       TYR  16   2.391  -9.546   0.632
  115    HD1  TYR  16           1HD      TYR  16   0.871  -7.850   1.980
  116    HD2  TYR  16           2HD      TYR  16  -0.375  -9.991  -1.479
  117    HE1  TYR  16           1HE      TYR  16  -1.477  -7.553   2.648
  118    HE2  TYR  16           2HE      TYR  16  -2.726  -9.699  -0.821
  119    HH   TYR  16           HH       TYR  16  -3.982  -9.302   1.397
  120    H    TYR  17           H        TYR  17   1.282  -5.787   0.196
  121    HA   TYR  17           HA       TYR  17   2.784  -5.568   2.699
  122   1HB   TYR  17          2HB       TYR  17   3.708  -4.026   0.866
  123   2HB   TYR  17          1HB       TYR  17   2.203  -3.129   1.024
  124    HD1  TYR  17           1HD      TYR  17   2.969  -1.081   1.883
  125    HD2  TYR  17           2HD      TYR  17   4.159  -4.710   3.761
  126    HE1  TYR  17           1HE      TYR  17   3.933   0.205   3.745
  127    HE2  TYR  17           2HE      TYR  17   5.123  -3.433   5.628
  128    HH   TYR  17           HH       TYR  17   6.083  -0.822   5.772
  129    H    GLN  18           H        GLN  18   1.260  -5.827   4.191
  130    HA   GLN  18           HA       GLN  18  -1.450  -5.590   3.958
  131   1HB   GLN  18          2HB       GLN  18   0.144  -6.341   5.953
  132   2HB   GLN  18          1HB       GLN  18  -0.265  -4.739   6.552
  133   1HG   GLN  18          2HG       GLN  18  -2.105  -5.617   7.408
  134   2HG   GLN  18          1HG       GLN  18  -2.693  -5.837   5.760
  135   1HE2  GLN  18          1HE2      GLN  18  -2.856  -7.403   8.377
  136   2HE2  GLN  18          2HE2      GLN  18  -2.460  -9.018   7.908
  137    H    GLU  19           H        GLU  19   0.853  -3.013   4.457
  138    HA   GLU  19           HA       GLU  19  -0.990  -1.029   5.284
  139   1HB   GLU  19          2HB       GLU  19   1.786  -1.199   4.856
  140   2HB   GLU  19          1HB       GLU  19   1.218   0.087   3.800
  141   1HG   GLU  19          2HG       GLU  19   0.045   1.052   5.813
  142   2HG   GLU  19          1HG       GLU  19   0.945  -0.113   6.783
  143    H    CYS  20           H        CYS  20   0.318  -1.915   2.110
  144    HA   CYS  20           HA       CYS  20  -1.037   0.117   0.674
  145   1HB   CYS  20          2HB       CYS  20   0.933  -1.662   0.065
  146   2HB   CYS  20          1HB       CYS  20  -0.436  -2.376  -0.779
  147    H    GLN  21           H        GLN  21  -1.724  -3.369   1.034
  148    HA   GLN  21           HA       GLN  21  -4.092  -3.404  -0.432
  149   1HB   GLN  21          2HB       GLN  21  -4.596  -5.497   0.683
  150   2HB   GLN  21          1HB       GLN  21  -2.888  -5.428   0.273
  151   1HG   GLN  21          2HG       GLN  21  -2.323  -5.757   2.364
  152   2HG   GLN  21          1HG       GLN  21  -3.273  -4.374   2.894
  153   1HE2  GLN  21          1HE2      GLN  21  -5.775  -4.979   2.652
  154   2HE2  GLN  21          2HE2      GLN  21  -6.205  -6.430   3.485
  155    H    ASP  22           H        ASP  22  -3.468  -2.394   2.846
  156    HA   ASP  22           HA       ASP  22  -6.191  -2.381   3.698
  157   1HB   ASP  22          2HB       ASP  22  -3.608  -1.353   4.770
  158   2HB   ASP  22          1HB       ASP  22  -5.092  -0.652   5.406
  159    H    CYS  23           H        CYS  23  -3.990   0.040   2.363
  160    HA   CYS  23           HA       CYS  23  -5.627   2.288   2.637
  161   1HB   CYS  23          2HB       CYS  23  -3.124   1.919   1.786
  162   2HB   CYS  23          1HB       CYS  23  -3.925   2.056   0.233
  163    H    CYS  24           H        CYS  24  -5.084   0.343  -0.292
  164    HA   CYS  24           HA       CYS  24  -7.028   1.490  -1.890
  165   1HB   CYS  24          2HB       CYS  24  -5.198  -0.256  -2.440
  166   2HB   CYS  24          1HB       CYS  24  -6.414  -1.448  -2.003
  167    H    LYS  25           H        LYS  25  -7.334  -1.494   0.043
  168    HA   LYS  25           HA       LYS  25  -9.964  -2.109  -0.425
  169   1HB   LYS  25          2HB       LYS  25  -8.581  -3.579   0.878
  170   2HB   LYS  25          1HB       LYS  25  -8.359  -2.358   2.122
  171   1HG   LYS  25          2HG       LYS  25 -11.113  -3.310   1.507
  172   2HG   LYS  25          1HG       LYS  25 -10.037  -4.331   2.463
  173   1HD   LYS  25          2HD       LYS  25 -10.016  -1.556   3.338
  174   2HD   LYS  25          1HD       LYS  25 -11.621  -2.280   3.420
  175   1HE   LYS  25          2HE       LYS  25 -10.991  -3.159   5.368
  176   2HE   LYS  25          1HE       LYS  25  -9.956  -4.242   4.438
  177   1HZ   LYS  25          1HZ       LYS  25  -8.465  -1.994   4.623
  178   2HZ   LYS  25          2HZ       LYS  25  -8.314  -3.345   5.629
  179   3HZ   LYS  25          3HZ       LYS  25  -9.244  -2.022   6.125
  180    H    ASN  26           H        ASN  26  -8.667   0.225   1.897
  181    HA   ASN  26           HA       ASN  26 -11.164   0.918   3.049
  182   1HB   ASN  26          2HB       ASN  26  -8.516   1.487   3.595
  183   2HB   ASN  26          1HB       ASN  26  -9.150   3.041   3.068
  184   1HD2  ASN  26          1HD2      ASN  26  -8.695   1.071   5.662
  185   2HD2  ASN  26          2HD2      ASN  26  -9.863   1.745   6.742
  186    H    ALA  27           H        ALA  27  -9.480   1.906   0.175
  187    HA   ALA  27           HA       ALA  27 -10.891   4.341  -0.254
  188   1HB   ALA  27          1HB       ALA  27  -9.672   2.689  -2.443
  189   2HB   ALA  27          2HB       ALA  27  -8.672   3.580  -1.294
  190   3HB   ALA  27          3HB       ALA  27  -9.814   4.442  -2.326
  191    H    GLY  28           H        GLY  28 -11.470   0.982  -1.059
  192   1HA   GLY  28          2HA       GLY  28 -14.055   0.738  -1.182
  193   2HA   GLY  28          1HA       GLY  28 -13.837   1.734  -2.609
  194    H    HIS  29           H        HIS  29 -11.122   0.014  -2.659
  195    HA   HIS  29           HA       HIS  29 -12.280  -1.968  -4.459
  196   1HB   HIS  29          2HB       HIS  29  -9.363  -1.314  -4.037
  197   2HB   HIS  29          1HB       HIS  29 -10.070  -2.211  -5.377
  198    HD1  HIS  29           1HD      HIS  29 -11.881  -0.669  -6.818
  199    HD2  HIS  29           2HD      HIS  29  -8.945   1.294  -4.628
  200    HE1  HIS  29           1HE      HIS  29 -11.741   1.641  -7.800
  201    HE2  HIS  29           2HE      HIS  29  -9.906   2.787  -6.508
  202    H    ASN  30           H        ASN  30  -9.763  -3.624  -4.130
  203    HA   ASN  30           HA       ASN  30 -10.653  -5.069  -1.731
  204   1HB   ASN  30          2HB       ASN  30  -9.955  -5.920  -4.429
  205   2HB   ASN  30          1HB       ASN  30  -9.068  -6.818  -3.201
  206   1HD2  ASN  30          1HD2      ASN  30 -10.349  -7.797  -1.474
  207   2HD2  ASN  30          2HD2      ASN  30 -11.926  -8.393  -1.850
  208    H    GLY  31           H        GLY  31  -7.742  -4.160  -3.570
  209   1HA   GLY  31          2HA       GLY  31  -6.256  -3.566  -1.248
  210   2HA   GLY  31          1HA       GLY  31  -5.843  -5.184  -1.797
  211    H    GLY  32           H        GLY  32  -3.699  -4.407  -2.158
  212   1HA   GLY  32          2HA       GLY  32  -3.378  -3.374  -4.847
  213   2HA   GLY  32          1HA       GLY  32  -2.756  -2.333  -3.578
  214    H    THR  33           H        THR  33  -0.951  -3.075  -5.334
  215    HA   THR  33           HA       THR  33   0.526  -5.272  -4.039
  216    HB   THR  33           HB       THR  33  -0.011  -5.979  -6.249
  217    HG1  THR  33           1HG      THR  33   2.611  -4.922  -6.398
  218   1HG2  THR  33          1HG2      THR  33  -0.478  -4.530  -7.848
  219   2HG2  THR  33          2HG2      THR  33   1.249  -4.200  -7.990
  220   3HG2  THR  33          3HG2      THR  33   0.245  -3.209  -6.931
  221    H    CYS  34           H        CYS  34   2.894  -5.075  -4.155
  222    HA   CYS  34           HA       CYS  34   3.702  -2.280  -3.762
  223   1HB   CYS  34          2HB       CYS  34   3.997  -4.246  -2.018
  224   2HB   CYS  34          1HB       CYS  34   5.433  -4.581  -2.975
  225    H    MET  35           H        MET  35   5.024  -1.320  -5.173
  226    HA   MET  35           HA       MET  35   6.695  -3.003  -6.906
  227   1HB   MET  35          2HB       MET  35   4.687  -0.941  -7.682
  228   2HB   MET  35          1HB       MET  35   6.151  -1.081  -8.645
  229   1HG   MET  35          2HG       MET  35   5.652  -3.478  -8.978
  230   2HG   MET  35          1HG       MET  35   4.138  -3.250  -8.106
  231   1HE   MET  35          1HE       MET  35   6.371  -2.271 -10.868
  232   2HE   MET  35          2HE       MET  35   5.376  -1.513 -12.112
  233   3HE   MET  35          3HE       MET  35   5.408  -3.270 -11.956
  234    H    PHE  36           H        PHE  36   8.588  -2.499  -5.838
  235    HA   PHE  36           HA       PHE  36  10.389  -1.292  -5.150
  236   1HB   PHE  36          2HB       PHE  36  10.712  -1.151  -7.535
  237   2HB   PHE  36          1HB       PHE  36   9.605   0.205  -7.645
  238    HD1  PHE  36           1HD      PHE  36  12.778  -0.803  -6.028
  239    HD2  PHE  36           2HD      PHE  36  10.452   2.360  -7.649
  240    HE1  PHE  36           1HE      PHE  36  14.681   0.732  -5.737
  241    HE2  PHE  36           2HE      PHE  36  12.345   3.907  -7.364
  242    HZ   PHE  36           HZ       PHE  36  14.465   3.094  -6.407
  243    H    PHE  37           H        PHE  37   8.789  -0.633  -3.344
  244    HA   PHE  37           HA       PHE  37   8.179   0.928  -1.820
  245   1HB   PHE  37          2HB       PHE  37   9.914   2.848  -3.378
  246   2HB   PHE  37          1HB       PHE  37   9.475   2.940  -1.674
  247    HD1  PHE  37           1HD      PHE  37   9.861  -0.011  -1.066
  248    HD2  PHE  37           2HD      PHE  37  12.281   2.821  -3.117
  249    HE1  PHE  37           1HE      PHE  37  11.865  -1.304  -0.470
  250    HE2  PHE  37           2HE      PHE  37  14.294   1.530  -2.529
  251    HZ   PHE  37           HZ       PHE  37  14.084  -0.541  -1.205
  252    H    LYS  38           H        LYS  38   6.848   0.753  -4.605
  253    HA   LYS  38           HA       LYS  38   5.421   3.326  -4.450
  254   1HB   LYS  38          2HB       LYS  38   5.496   1.430  -6.804
  255   2HB   LYS  38          1HB       LYS  38   4.792   3.039  -6.766
  256   1HG   LYS  38          2HG       LYS  38   7.073   3.950  -6.335
  257   2HG   LYS  38          1HG       LYS  38   7.709   2.326  -6.598
  258   1HD   LYS  38          2HD       LYS  38   7.404   2.429  -8.835
  259   2HD   LYS  38          1HD       LYS  38   5.899   3.341  -8.691
  260   1HE   LYS  38          2HE       LYS  38   6.947   5.340  -8.797
  261   2HE   LYS  38          1HE       LYS  38   8.349   4.772  -7.892
  262   1HZ   LYS  38          1HZ       LYS  38   8.611   3.406 -10.171
  263   2HZ   LYS  38          2HZ       LYS  38   9.338   4.905  -9.886
  264   3HZ   LYS  38          3HZ       LYS  38   7.887   4.820 -10.751
  265    H    CYS  39           H        CYS  39   3.390   3.275  -3.743
  266    HA   CYS  39           HA       CYS  39   2.150   0.696  -3.251
  267   1HB   CYS  39          2HB       CYS  39   2.177   3.150  -1.897
  268   2HB   CYS  39          1HB       CYS  39   0.529   2.967  -2.485
  269    H    LYS  40           H        LYS  40   1.030  -0.183  -4.846
  270    HA   LYS  40           HA       LYS  40  -0.743   1.553  -6.437
  271   1HB   LYS  40          2HB       LYS  40   1.311   0.060  -7.427
  272   2HB   LYS  40          1HB       LYS  40  -0.024  -1.077  -7.566
  273   1HG   LYS  40          2HG       LYS  40  -1.150   1.169  -8.584
  274   2HG   LYS  40          1HG       LYS  40   0.534   1.380  -9.067
  275   1HD   LYS  40          2HD       LYS  40  -0.007   0.082 -10.814
  276   2HD   LYS  40          1HD       LYS  40   0.097  -1.251  -9.663
  277   1HE   LYS  40          2HE       LYS  40  -2.245  -1.255  -9.316
  278   2HE   LYS  40          1HE       LYS  40  -2.440   0.295 -10.134
  279   1HZ   LYS  40          1HZ       LYS  40  -2.937  -0.921 -11.915
  280   2HZ   LYS  40          2HZ       LYS  40  -2.334  -2.350 -11.239
  281   3HZ   LYS  40          3HZ       LYS  40  -1.286  -1.278 -12.022
  282    H    CYS  41           H        CYS  41  -2.691   0.354  -7.308
  283    HA   CYS  41           HA       CYS  41  -3.816  -1.241  -5.141
  284   1HB   CYS  41          2HB       CYS  41  -4.919   0.496  -7.283
  285   2HB   CYS  41          1HB       CYS  41  -5.916  -0.822  -6.717
  286    H    ALA  42           H        ALA  42  -5.749  -2.655  -6.286
  287    HA   ALA  42           HA       ALA  42  -4.265  -4.642  -7.844
  288   1HB   ALA  42          1HB       ALA  42  -7.001  -5.199  -6.835
  289   2HB   ALA  42          2HB       ALA  42  -5.701  -5.043  -5.653
  290   3HB   ALA  42          3HB       ALA  42  -5.591  -6.255  -6.930
  Start of MODEL   12
    1   1H    ASP   1          1HT       ASP   1 -10.526  15.834  -2.937
    2   2H    ASP   1          2HT       ASP   1 -10.786  14.387  -2.051
    3   3H    ASP   1          3HT       ASP   1 -12.124  15.308  -2.609
    4    HA   ASP   1           HA       ASP   1 -11.575  13.261  -3.876
    5   1HB   ASP   1          2HB       ASP   1 -12.626  15.707  -4.572
    6   2HB   ASP   1          1HB       ASP   1 -11.394  15.467  -5.808
    7    H    ARG   2           H        ARG   2  -9.017  13.831  -2.768
    8    HA   ARG   2           HA       ARG   2  -7.377  13.225  -5.090
    9   1HB   ARG   2          2HB       ARG   2  -6.889  15.587  -3.280
   10   2HB   ARG   2          1HB       ARG   2  -5.615  14.868  -4.256
   11   1HG   ARG   2          2HG       ARG   2  -7.463  15.234  -6.155
   12   2HG   ARG   2          1HG       ARG   2  -7.905  16.543  -5.059
   13   1HD   ARG   2          2HD       ARG   2  -6.302  17.283  -6.756
   14   2HD   ARG   2          1HD       ARG   2  -5.630  17.397  -5.130
   15    HE   ARG   2           HE       ARG   2  -4.024  15.904  -5.750
   16   1HH1  ARG   2          1HH1      ARG   2  -6.701  15.619  -7.969
   17   2HH1  ARG   2          2HH1      ARG   2  -5.886  14.497  -9.005
   18   1HH2  ARG   2          1HH2      ARG   2  -2.948  14.428  -7.112
   19   2HH2  ARG   2          2HH2      ARG   2  -3.755  13.820  -8.520
   20    H    ASP   3           H        ASP   3  -8.100  11.384  -3.313
   21    HA   ASP   3           HA       ASP   3  -6.491  11.129  -1.016
   22   1HB   ASP   3          2HB       ASP   3  -8.519   9.623  -2.304
   23   2HB   ASP   3          1HB       ASP   3  -7.146   8.544  -2.077
   24    H    SER   4           H        SER   4  -6.254   8.935  -3.798
   25    HA   SER   4           HA       SER   4  -4.473   7.884  -4.749
   26   1HB   SER   4          2HB       SER   4  -3.439  10.666  -4.288
   27   2HB   SER   4          1HB       SER   4  -2.387   9.429  -4.975
   28    HG   SER   4           HG       SER   4  -3.368   9.702  -6.800
   29    H    CYS   5           H        CYS   5  -4.270   6.328  -3.084
   30    HA   CYS   5           HA       CYS   5  -2.726   6.714  -0.753
   31   1HB   CYS   5          2HB       CYS   5  -3.692   4.281  -2.227
   32   2HB   CYS   5          1HB       CYS   5  -2.619   4.123  -0.841
   33    H    VAL   6           H        VAL   6  -1.885   5.910  -4.029
   34    HA   VAL   6           HA       VAL   6   0.558   4.671  -3.760
   35    HB   VAL   6           HB       VAL   6   0.028   6.810  -5.791
   36   1HG1  VAL   6          1HG1      VAL   6   2.297   6.012  -5.806
   37   2HG1  VAL   6          2HG1      VAL   6   1.454   5.374  -7.218
   38   3HG1  VAL   6          3HG1      VAL   6   1.744   4.337  -5.822
   39   1HG2  VAL   6          1HG2      VAL   6  -0.632   4.476  -7.031
   40   2HG2  VAL   6          2HG2      VAL   6  -1.789   5.617  -6.346
   41   3HG2  VAL   6          3HG2      VAL   6  -1.271   4.217  -5.407
   42    H    ASP   7           H        ASP   7  -0.178   8.116  -3.555
   43    HA   ASP   7           HA       ASP   7   2.614   8.645  -2.815
   44   1HB   ASP   7          2HB       ASP   7   0.843  10.013  -4.507
   45   2HB   ASP   7          1HB       ASP   7   0.977  11.020  -3.069
   46    H    LYS   8           H        LYS   8   0.507   7.454  -1.071
   47    HA   LYS   8           HA       LYS   8   0.661   9.440   1.094
   48   1HB   LYS   8          2HB       LYS   8  -1.679   8.719  -0.114
   49   2HB   LYS   8          1HB       LYS   8  -1.608   7.567   1.212
   50   1HG   LYS   8          2HG       LYS   8  -2.791   9.346   2.103
   51   2HG   LYS   8          1HG       LYS   8  -1.150   9.615   2.694
   52   1HD   LYS   8          2HD       LYS   8  -1.185  10.934   0.268
   53   2HD   LYS   8          1HD       LYS   8  -2.791  11.247   0.928
   54   1HE   LYS   8          2HE       LYS   8  -0.198  11.706   2.399
   55   2HE   LYS   8          1HE       LYS   8  -1.118  12.958   1.565
   56   1HZ   LYS   8          1HZ       LYS   8  -2.874  12.762   3.082
   57   2HZ   LYS   8          2HZ       LYS   8  -1.481  12.734   4.041
   58   3HZ   LYS   8          3HZ       LYS   8  -2.307  11.296   3.706
   59    H    SER   9           H        SER   9   0.115   5.997   0.366
   60    HA   SER   9           HA       SER   9   1.273   5.290   2.961
   61   1HB   SER   9          2HB       SER   9  -0.935   4.301   1.867
   62   2HB   SER   9          1HB       SER   9   0.218   3.224   1.081
   63    HG   SER   9           HG       SER   9   1.042   2.873   3.301
   64    H    ARG  10           H        ARG  10   3.242   4.419   3.167
   65    HA   ARG  10           HA       ARG  10   4.965   4.276   0.884
   66   1HB   ARG  10          2HB       ARG  10   5.514   5.025   3.303
   67   2HB   ARG  10          1HB       ARG  10   5.685   3.304   3.627
   68   1HG   ARG  10          2HG       ARG  10   7.389   3.137   1.910
   69   2HG   ARG  10          1HG       ARG  10   7.216   4.856   1.553
   70   1HD   ARG  10          2HD       ARG  10   8.270   5.503   3.475
   71   2HD   ARG  10          1HD       ARG  10   7.765   4.066   4.362
   72    HE   ARG  10           HE       ARG  10   9.612   2.932   3.557
   73   1HH1  ARG  10          1HH1      ARG  10   9.372   6.065   2.032
   74   2HH1  ARG  10          2HH1      ARG  10  10.984   6.017   1.402
   75   1HH2  ARG  10          1HH2      ARG  10  11.730   2.875   2.732
   76   2HH2  ARG  10          2HH2      ARG  10  12.321   4.206   1.796
   77    H    CYS  11           H        CYS  11   6.179   2.429   0.231
   78    HA   CYS  11           HA       CYS  11   4.983  -0.154   0.967
   79   1HB   CYS  11          2HB       CYS  11   4.981   1.156  -1.608
   80   2HB   CYS  11          1HB       CYS  11   5.850  -0.370  -1.699
   81    H    ALA  12           H        ALA  12   6.396  -2.018   0.330
   82    HA   ALA  12           HA       ALA  12   9.141  -1.414   1.087
   83   1HB   ALA  12          1HB       ALA  12   7.401  -3.790   1.169
   84   2HB   ALA  12          2HB       ALA  12   8.622  -3.236   2.313
   85   3HB   ALA  12          3HB       ALA  12   9.108  -4.099   0.854
   86    H    LYS  13           H        LYS  13  10.771  -3.057  -0.049
   87    HA   LYS  13           HA       LYS  13  11.404  -2.137  -2.515
   88   1HB   LYS  13          2HB       LYS  13  12.869  -3.580  -1.184
   89   2HB   LYS  13          1HB       LYS  13  11.837  -4.959  -1.529
   90   1HG   LYS  13          2HG       LYS  13  12.460  -4.982  -3.803
   91   2HG   LYS  13          1HG       LYS  13  13.202  -3.385  -3.691
   92   1HD   LYS  13          2HD       LYS  13  14.709  -4.560  -1.889
   93   2HD   LYS  13          1HD       LYS  13  14.218  -6.025  -2.740
   94   1HE   LYS  13          2HE       LYS  13  14.926  -4.177  -4.729
   95   2HE   LYS  13          1HE       LYS  13  16.167  -4.047  -3.484
   96   1HZ   LYS  13          1HZ       LYS  13  15.875  -6.710  -3.721
   97   2HZ   LYS  13          2HZ       LYS  13  17.054  -5.799  -4.522
   98   3HZ   LYS  13          3HZ       LYS  13  15.617  -6.206  -5.316
   99    H    TYR  14           H        TYR  14   9.293  -4.910  -1.855
  100    HA   TYR  14           HA       TYR  14   7.573  -4.509  -3.961
  101   1HB   TYR  14          2HB       TYR  14   8.398  -6.522  -5.413
  102   2HB   TYR  14          1HB       TYR  14   9.076  -4.920  -5.665
  103    HD1  TYR  14           1HD      TYR  14  10.049  -6.928  -2.747
  104    HD2  TYR  14           2HD      TYR  14  11.061  -5.821  -6.728
  105    HE1  TYR  14           1HE      TYR  14  12.303  -7.849  -2.423
  106    HE2  TYR  14           2HE      TYR  14  13.319  -6.740  -6.414
  107    HH   TYR  14           HH       TYR  14  14.151  -8.808  -4.048
  108    H    GLY  15           H        GLY  15   6.117  -6.336  -4.369
  109   1HA   GLY  15          2HA       GLY  15   5.509  -8.635  -3.788
  110   2HA   GLY  15          1HA       GLY  15   6.275  -8.371  -2.231
  111    H    TYR  16           H        TYR  16   4.637  -8.651  -0.839
  112    HA   TYR  16           HA       TYR  16   2.173  -7.105  -1.287
  113   1HB   TYR  16          2HB       TYR  16   2.077  -9.658  -1.068
  114   2HB   TYR  16          1HB       TYR  16   2.460  -9.412   0.632
  115    HD1  TYR  16           1HD      TYR  16   0.879  -7.964   2.013
  116    HD2  TYR  16           2HD      TYR  16  -0.128  -9.465  -1.839
  117    HE1  TYR  16           1HE      TYR  16  -1.504  -7.594   2.498
  118    HE2  TYR  16           2HE      TYR  16  -2.513  -9.098  -1.365
  119    HH   TYR  16           HH       TYR  16  -3.811  -7.386   0.336
  120    H    TYR  17           H        TYR  17   1.178  -6.082   0.534
  121    HA   TYR  17           HA       TYR  17   2.624  -5.808   3.003
  122   1HB   TYR  17          2HB       TYR  17   3.807  -4.257   1.394
  123   2HB   TYR  17          1HB       TYR  17   2.311  -3.336   1.294
  124    HD1  TYR  17           1HD      TYR  17   3.194  -1.295   2.155
  125    HD2  TYR  17           2HD      TYR  17   3.546  -4.885   4.413
  126    HE1  TYR  17           1HE      TYR  17   3.871   0.015   4.123
  127    HE2  TYR  17           2HE      TYR  17   4.221  -3.584   6.386
  128    HH   TYR  17           HH       TYR  17   5.391  -1.140   6.668
  129    H    GLN  18           H        GLN  18   0.985  -6.015   4.373
  130    HA   GLN  18           HA       GLN  18  -1.689  -5.668   3.911
  131   1HB   GLN  18          2HB       GLN  18  -0.278  -6.531   6.011
  132   2HB   GLN  18          1HB       GLN  18  -0.725  -4.945   6.626
  133   1HG   GLN  18          2HG       GLN  18  -2.768  -5.638   7.108
  134   2HG   GLN  18          1HG       GLN  18  -3.011  -6.229   5.465
  135   1HE2  GLN  18          1HE2      GLN  18  -3.216  -7.158   8.518
  136   2HE2  GLN  18          2HE2      GLN  18  -2.802  -8.831   8.386
  137    H    GLU  19           H        GLU  19   0.672  -3.210   4.620
  138    HA   GLU  19           HA       GLU  19  -1.098  -1.164   5.429
  139   1HB   GLU  19          2HB       GLU  19   1.602  -1.410   5.320
  140   2HB   GLU  19          1HB       GLU  19   1.322  -0.353   3.943
  141   1HG   GLU  19          2HG       GLU  19   0.813   1.400   5.233
  142   2HG   GLU  19          1HG       GLU  19  -0.119   0.423   6.368
  143    H    CYS  20           H        CYS  20   0.375  -1.863   2.262
  144    HA   CYS  20           HA       CYS  20  -0.936   0.204   0.870
  145   1HB   CYS  20          2HB       CYS  20   1.093  -1.143   0.120
  146   2HB   CYS  20          1HB       CYS  20  -0.038  -2.408  -0.344
  147    H    GLN  21           H        GLN  21  -1.632  -3.294   0.931
  148    HA   GLN  21           HA       GLN  21  -3.956  -3.244  -0.576
  149   1HB   GLN  21          2HB       GLN  21  -4.500  -5.388   0.414
  150   2HB   GLN  21          1HB       GLN  21  -2.779  -5.303   0.077
  151   1HG   GLN  21          2HG       GLN  21  -2.293  -5.730   2.168
  152   2HG   GLN  21          1HG       GLN  21  -3.273  -4.381   2.730
  153   1HE2  GLN  21          1HE2      GLN  21  -5.766  -5.011   2.286
  154   2HE2  GLN  21          2HE2      GLN  21  -6.221  -6.493   3.050
  155    H    ASP  22           H        ASP  22  -3.458  -2.431   2.781
  156    HA   ASP  22           HA       ASP  22  -6.188  -2.464   3.564
  157   1HB   ASP  22          2HB       ASP  22  -3.647  -1.409   4.710
  158   2HB   ASP  22          1HB       ASP  22  -5.158  -0.764   5.343
  159    H    CYS  23           H        CYS  23  -4.012   0.082   2.417
  160    HA   CYS  23           HA       CYS  23  -5.723   2.264   2.706
  161   1HB   CYS  23          2HB       CYS  23  -3.189   2.002   1.926
  162   2HB   CYS  23          1HB       CYS  23  -3.939   2.159   0.350
  163    H    CYS  24           H        CYS  24  -5.046   0.417  -0.254
  164    HA   CYS  24           HA       CYS  24  -6.904   1.565  -1.928
  165   1HB   CYS  24          2HB       CYS  24  -5.126  -0.201  -2.447
  166   2HB   CYS  24          1HB       CYS  24  -6.319  -1.392  -1.946
  167    H    LYS  25           H        LYS  25  -7.400  -1.416  -0.028
  168    HA   LYS  25           HA       LYS  25 -10.054  -1.866  -0.614
  169   1HB   LYS  25          2HB       LYS  25  -8.784  -3.502   0.574
  170   2HB   LYS  25          1HB       LYS  25  -8.467  -2.389   1.896
  171   1HG   LYS  25          2HG       LYS  25 -11.168  -2.468   1.954
  172   2HG   LYS  25          1HG       LYS  25 -10.800  -4.090   1.368
  173   1HD   LYS  25          2HD       LYS  25 -10.206  -4.728   3.409
  174   2HD   LYS  25          1HD       LYS  25  -9.008  -3.439   3.495
  175   1HE   LYS  25          2HE       LYS  25 -11.777  -2.554   3.876
  176   2HE   LYS  25          1HE       LYS  25 -11.187  -3.659   5.117
  177   1HZ   LYS  25          1HZ       LYS  25  -9.634  -1.283   4.281
  178   2HZ   LYS  25          2HZ       LYS  25  -9.471  -2.202   5.691
  179   3HZ   LYS  25          3HZ       LYS  25 -10.814  -1.195   5.491
  180    H    ASN  26           H        ASN  26  -8.686   0.236   1.893
  181    HA   ASN  26           HA       ASN  26 -11.162   0.941   3.070
  182   1HB   ASN  26          2HB       ASN  26  -8.495   1.369   3.656
  183   2HB   ASN  26          1HB       ASN  26  -9.082   2.981   3.269
  184   1HD2  ASN  26          1HD2      ASN  26  -8.628   0.861   5.707
  185   2HD2  ASN  26          2HD2      ASN  26  -9.803   1.441   6.832
  186    H    ALA  27           H        ALA  27  -9.477   2.057   0.258
  187    HA   ALA  27           HA       ALA  27 -10.827   4.576   0.058
  188   1HB   ALA  27          1HB       ALA  27  -9.732   3.366  -2.398
  189   2HB   ALA  27          2HB       ALA  27  -8.588   3.599  -1.076
  190   3HB   ALA  27          3HB       ALA  27  -9.489   4.975  -1.715
  191    H    GLY  28           H        GLY  28 -11.351   1.331  -1.149
  192   1HA   GLY  28          2HA       GLY  28 -13.910   1.033  -1.365
  193   2HA   GLY  28          1HA       GLY  28 -13.713   2.240  -2.623
  194    H    HIS  29           H        HIS  29 -11.431  -0.349  -1.927
  195    HA   HIS  29           HA       HIS  29 -12.304  -1.767  -4.335
  196   1HB   HIS  29          2HB       HIS  29  -9.405  -1.102  -3.805
  197   2HB   HIS  29          1HB       HIS  29 -10.078  -1.870  -5.238
  198    HD1  HIS  29           1HD      HIS  29 -12.148  -0.104  -6.258
  199    HD2  HIS  29           2HD      HIS  29  -8.763   1.444  -4.413
  200    HE1  HIS  29           1HE      HIS  29 -11.958   2.265  -7.080
  201    HE2  HIS  29           2HE      HIS  29  -9.843   3.145  -6.034
  202    H    ASN  30           H        ASN  30  -9.873  -3.467  -4.203
  203    HA   ASN  30           HA       ASN  30 -10.689  -5.087  -1.892
  204   1HB   ASN  30          2HB       ASN  30  -9.579  -5.789  -4.594
  205   2HB   ASN  30          1HB       ASN  30  -9.440  -6.919  -3.250
  206   1HD2  ASN  30          1HD2      ASN  30 -11.920  -4.797  -4.651
  207   2HD2  ASN  30          2HD2      ASN  30 -13.182  -5.977  -4.629
  208    H    GLY  31           H        GLY  31  -7.791  -4.159  -3.757
  209   1HA   GLY  31          2HA       GLY  31  -6.237  -3.608  -1.481
  210   2HA   GLY  31          1HA       GLY  31  -5.911  -5.258  -1.985
  211    H    GLY  32           H        GLY  32  -3.768  -4.771  -2.506
  212   1HA   GLY  32          2HA       GLY  32  -3.384  -3.889  -5.196
  213   2HA   GLY  32          1HA       GLY  32  -2.806  -2.699  -4.039
  214    H    THR  33           H        THR  33  -0.686  -3.028  -4.904
  215    HA   THR  33           HA       THR  33   0.707  -5.182  -3.543
  216    HB   THR  33           HB       THR  33   0.198  -6.211  -5.683
  217    HG1  THR  33           1HG      THR  33   2.261  -6.626  -4.846
  218   1HG2  THR  33          1HG2      THR  33   1.027  -3.610  -6.769
  219   2HG2  THR  33          2HG2      THR  33  -0.129  -4.791  -7.387
  220   3HG2  THR  33          3HG2      THR  33   1.599  -5.030  -7.646
  221    H    CYS  34           H        CYS  34   2.971  -4.820  -3.332
  222    HA   CYS  34           HA       CYS  34   3.672  -2.011  -3.443
  223   1HB   CYS  34          2HB       CYS  34   4.691  -4.435  -2.023
  224   2HB   CYS  34          1HB       CYS  34   5.752  -3.058  -2.223
  225    H    MET  35           H        MET  35   4.777  -1.225  -5.107
  226    HA   MET  35           HA       MET  35   6.622  -3.011  -6.549
  227   1HB   MET  35          2HB       MET  35   4.618  -1.036  -7.572
  228   2HB   MET  35          1HB       MET  35   6.078  -1.344  -8.504
  229   1HG   MET  35          2HG       MET  35   5.295  -3.868  -8.046
  230   2HG   MET  35          1HG       MET  35   3.730  -3.058  -8.033
  231   1HE   MET  35          1HE       MET  35   2.917  -4.453  -9.846
  232   2HE   MET  35          2HE       MET  35   4.345  -5.303 -10.438
  233   3HE   MET  35          3HE       MET  35   3.365  -4.344 -11.548
  234    H    PHE  36           H        PHE  36   8.601  -2.412  -5.918
  235    HA   PHE  36           HA       PHE  36  10.398  -1.134  -5.351
  236   1HB   PHE  36          2HB       PHE  36  10.439  -0.848  -7.749
  237   2HB   PHE  36          1HB       PHE  36   9.262   0.451  -7.649
  238    HD1  PHE  36           1HD      PHE  36  12.322  -0.205  -5.673
  239    HD2  PHE  36           2HD      PHE  36  10.319   2.376  -8.387
  240    HE1  PHE  36           1HE      PHE  36  14.164   1.418  -5.474
  241    HE2  PHE  36           2HE      PHE  36  12.152   4.007  -8.200
  242    HZ   PHE  36           HZ       PHE  36  14.079   3.529  -6.741
  243    H    PHE  37           H        PHE  37   8.917  -0.674  -3.367
  244    HA   PHE  37           HA       PHE  37   8.351   0.752  -1.703
  245   1HB   PHE  37          2HB       PHE  37  10.214   2.482  -3.311
  246   2HB   PHE  37          1HB       PHE  37   9.456   3.068  -1.832
  247    HD1  PHE  37           1HD      PHE  37  11.049  -0.157  -2.844
  248    HD2  PHE  37           2HD      PHE  37  10.930   3.073  -0.076
  249    HE1  PHE  37           1HE      PHE  37  12.812  -1.238  -1.514
  250    HE2  PHE  37           2HE      PHE  37  12.694   1.996   1.258
  251    HZ   PHE  37           HZ       PHE  37  13.635  -0.165   0.539
  252    H    LYS  38           H        LYS  38   6.748   0.667  -4.275
  253    HA   LYS  38           HA       LYS  38   5.311   3.213  -3.883
  254   1HB   LYS  38          2HB       LYS  38   5.283   1.499  -6.374
  255   2HB   LYS  38          1HB       LYS  38   4.520   3.068  -6.166
  256   1HG   LYS  38          2HG       LYS  38   7.045   3.738  -5.590
  257   2HG   LYS  38          1HG       LYS  38   7.343   2.385  -6.682
  258   1HD   LYS  38          2HD       LYS  38   6.947   3.718  -8.416
  259   2HD   LYS  38          1HD       LYS  38   5.297   3.957  -7.840
  260   1HE   LYS  38          2HE       LYS  38   6.696   5.626  -6.205
  261   2HE   LYS  38          1HE       LYS  38   7.627   5.735  -7.698
  262   1HZ   LYS  38          1HZ       LYS  38   6.094   7.304  -8.152
  263   2HZ   LYS  38          2HZ       LYS  38   4.921   6.641  -7.128
  264   3HZ   LYS  38          3HZ       LYS  38   5.176   5.976  -8.663
  265    H    CYS  39           H        CYS  39   3.059   3.147  -3.721
  266    HA   CYS  39           HA       CYS  39   1.984   0.483  -3.089
  267   1HB   CYS  39          2HB       CYS  39   1.986   2.034  -1.202
  268   2HB   CYS  39          1HB       CYS  39   1.080   3.211  -2.146
  269    H    LYS  40           H        LYS  40   1.135  -0.228  -4.986
  270    HA   LYS  40           HA       LYS  40  -0.778   1.535  -6.364
  271   1HB   LYS  40          2HB       LYS  40   1.261   0.348  -7.536
  272   2HB   LYS  40          1HB       LYS  40   0.188  -1.044  -7.537
  273   1HG   LYS  40          2HG       LYS  40   0.056   0.167  -9.637
  274   2HG   LYS  40          1HG       LYS  40  -1.482   0.231  -8.774
  275   1HD   LYS  40          2HD       LYS  40  -1.382   2.462  -8.516
  276   2HD   LYS  40          1HD       LYS  40   0.345   2.439  -8.156
  277   1HE   LYS  40          2HE       LYS  40   0.928   2.816 -10.300
  278   2HE   LYS  40          1HE       LYS  40  -0.363   1.798 -10.937
  279   1HZ   LYS  40          1HZ       LYS  40  -0.371   4.409 -11.207
  280   2HZ   LYS  40          2HZ       LYS  40  -1.139   4.328  -9.703
  281   3HZ   LYS  40          3HZ       LYS  40  -1.804   3.525 -11.035
  282    H    CYS  41           H        CYS  41  -2.743   0.465  -7.239
  283    HA   CYS  41           HA       CYS  41  -3.863  -1.296  -5.218
  284   1HB   CYS  41          2HB       CYS  41  -4.955   0.508  -7.324
  285   2HB   CYS  41          1HB       CYS  41  -5.951  -0.814  -6.761
  286    H    ALA  42           H        ALA  42  -5.763  -2.676  -6.468
  287    HA   ALA  42           HA       ALA  42  -4.264  -4.419  -8.314
  288   1HB   ALA  42          1HB       ALA  42  -5.265  -5.131  -5.921
  289   2HB   ALA  42          2HB       ALA  42  -5.078  -6.249  -7.272
  290   3HB   ALA  42          3HB       ALA  42  -6.645  -5.504  -6.953
  Start of MODEL   13
    1   1H    ASP   1          1HT       ASP   1 -11.126  17.003  -5.175
    2   2H    ASP   1          2HT       ASP   1 -11.178  15.302  -4.951
    3   3H    ASP   1          3HT       ASP   1 -10.321  15.968  -6.280
    4    HA   ASP   1           HA       ASP   1  -8.939  17.155  -4.588
    5   1HB   ASP   1          2HB       ASP   1 -10.380  15.101  -2.902
    6   2HB   ASP   1          1HB       ASP   1  -8.875  15.868  -2.403
    7    H    ARG   2           H        ARG   2  -9.826  13.751  -5.039
    8    HA   ARG   2           HA       ARG   2  -8.638  11.945  -5.735
    9   1HB   ARG   2          2HB       ARG   2  -7.958  13.388  -7.594
   10   2HB   ARG   2          1HB       ARG   2  -6.628  14.019  -6.633
   11   1HG   ARG   2          2HG       ARG   2  -5.655  12.434  -8.044
   12   2HG   ARG   2          1HG       ARG   2  -5.804  11.617  -6.487
   13   1HD   ARG   2          2HD       ARG   2  -8.119  11.324  -8.273
   14   2HD   ARG   2          1HD       ARG   2  -6.630  10.583  -8.858
   15    HE   ARG   2           HE       ARG   2  -7.147   9.918  -6.136
   16   1HH1  ARG   2          1HH1      ARG   2  -8.045   9.139  -9.418
   17   2HH1  ARG   2          2HH1      ARG   2  -8.524   7.520  -9.036
   18   1HH2  ARG   2          1HH2      ARG   2  -7.777   7.789  -5.631
   19   2HH2  ARG   2          2HH2      ARG   2  -8.373   6.753  -6.885
   20    H    ASP   3           H        ASP   3  -8.022  10.748  -4.079
   21    HA   ASP   3           HA       ASP   3  -6.012  11.689  -2.214
   22   1HB   ASP   3          2HB       ASP   3  -6.623   9.069  -1.508
   23   2HB   ASP   3          1HB       ASP   3  -7.318  10.525  -0.811
   24    H    SER   4           H        SER   4  -6.403   8.444  -3.609
   25    HA   SER   4           HA       SER   4  -4.902   6.973  -4.482
   26   1HB   SER   4          2HB       SER   4  -4.554   9.252  -5.908
   27   2HB   SER   4          1HB       SER   4  -2.930   9.041  -5.252
   28    HG   SER   4           HG       SER   4  -4.108   7.727  -7.262
   29    H    CYS   5           H        CYS   5  -4.065   5.853  -2.815
   30    HA   CYS   5           HA       CYS   5  -2.351   6.926  -0.844
   31   1HB   CYS   5          2HB       CYS   5  -3.794   4.638  -1.061
   32   2HB   CYS   5          1HB       CYS   5  -2.171   4.023  -1.356
   33    H    VAL   6           H        VAL   6  -1.746   5.952  -4.050
   34    HA   VAL   6           HA       VAL   6   0.744   4.842  -4.081
   35    HB   VAL   6           HB       VAL   6  -0.037   7.065  -5.933
   36   1HG1  VAL   6          1HG1      VAL   6   1.213   5.282  -7.475
   37   2HG1  VAL   6          2HG1      VAL   6   2.007   4.932  -5.939
   38   3HG1  VAL   6          3HG1      VAL   6   2.066   6.562  -6.611
   39   1HG2  VAL   6          1HG2      VAL   6  -1.911   5.746  -6.120
   40   2HG2  VAL   6          2HG2      VAL   6  -1.034   4.265  -5.736
   41   3HG2  VAL   6          3HG2      VAL   6  -0.857   5.007  -7.326
   42    H    ASP   7           H        ASP   7  -0.088   8.134  -3.283
   43    HA   ASP   7           HA       ASP   7   2.757   8.664  -2.729
   44   1HB   ASP   7          2HB       ASP   7   1.295   9.975  -4.637
   45   2HB   ASP   7          1HB       ASP   7   1.082  11.029  -3.241
   46    H    LYS   8           H        LYS   8   0.818   7.563  -0.930
   47    HA   LYS   8           HA       LYS   8   0.731   9.732   1.058
   48   1HB   LYS   8          2HB       LYS   8  -1.524   8.941  -0.015
   49   2HB   LYS   8          1HB       LYS   8  -1.333   7.562   1.059
   50   1HG   LYS   8          2HG       LYS   8  -2.624   8.975   2.326
   51   2HG   LYS   8          1HG       LYS   8  -1.000   9.372   2.893
   52   1HD   LYS   8          2HD       LYS   8  -1.793  11.481   2.528
   53   2HD   LYS   8          1HD       LYS   8  -1.143  11.138   0.924
   54   1HE   LYS   8          2HE       LYS   8  -3.162  11.269  -0.008
   55   2HE   LYS   8          1HE       LYS   8  -3.857  10.176   1.188
   56   1HZ   LYS   8          1HZ       LYS   8  -3.296  12.874   2.107
   57   2HZ   LYS   8          2HZ       LYS   8  -4.623  11.875   2.425
   58   3HZ   LYS   8          3HZ       LYS   8  -4.540  12.731   0.968
   59    H    SER   9           H        SER   9   0.317   6.194   0.805
   60    HA   SER   9           HA       SER   9   1.719   5.894   3.355
   61   1HB   SER   9          2HB       SER   9  -0.522   4.738   2.791
   62   2HB   SER   9          1HB       SER   9   0.448   3.651   1.799
   63    HG   SER   9           HG       SER   9   0.335   3.921   4.568
   64    H    ARG  10           H        ARG  10   3.474   4.452   3.605
   65    HA   ARG  10           HA       ARG  10   5.204   4.349   1.286
   66   1HB   ARG  10          2HB       ARG  10   6.032   5.094   3.508
   67   2HB   ARG  10          1HB       ARG  10   5.735   3.475   4.130
   68   1HG   ARG  10          2HG       ARG  10   7.445   2.541   2.856
   69   2HG   ARG  10          1HG       ARG  10   7.517   3.929   1.770
   70   1HD   ARG  10          2HD       ARG  10   8.102   5.168   4.057
   71   2HD   ARG  10          1HD       ARG  10   8.690   3.557   4.467
   72    HE   ARG  10           HE       ARG  10  10.417   3.842   2.987
   73   1HH1  ARG  10          1HH1      ARG  10   8.022   6.318   2.434
   74   2HH1  ARG  10          2HH1      ARG  10   9.018   7.210   1.333
   75   1HH2  ARG  10          1HH2      ARG  10  11.727   5.012   1.539
   76   2HH2  ARG  10          2HH2      ARG  10  11.122   6.468   0.825
   77    H    CYS  11           H        CYS  11   6.490   2.351   0.881
   78    HA   CYS  11           HA       CYS  11   5.087  -0.130   1.531
   79   1HB   CYS  11          2HB       CYS  11   4.425   0.958  -0.780
   80   2HB   CYS  11          1HB       CYS  11   5.959   0.278  -1.301
   81    H    ALA  12           H        ALA  12   6.400  -2.052   0.612
   82    HA   ALA  12           HA       ALA  12   9.150  -1.668   1.465
   83   1HB   ALA  12          1HB       ALA  12   8.652  -3.628   2.418
   84   2HB   ALA  12          2HB       ALA  12   8.885  -4.329   0.817
   85   3HB   ALA  12          3HB       ALA  12   7.265  -3.887   1.357
   86    H    LYS  13           H        LYS  13  10.576  -3.500   0.115
   87    HA   LYS  13           HA       LYS  13  11.311  -2.228  -2.233
   88   1HB   LYS  13          2HB       LYS  13  12.492  -4.076  -0.781
   89   2HB   LYS  13          1HB       LYS  13  11.767  -5.163  -1.955
   90   1HG   LYS  13          2HG       LYS  13  12.926  -4.090  -3.758
   91   2HG   LYS  13          1HG       LYS  13  13.537  -2.840  -2.672
   92   1HD   LYS  13          2HD       LYS  13  14.718  -4.636  -1.397
   93   2HD   LYS  13          1HD       LYS  13  14.224  -5.776  -2.649
   94   1HE   LYS  13          2HE       LYS  13  16.385  -5.149  -3.275
   95   2HE   LYS  13          1HE       LYS  13  15.340  -4.162  -4.295
   96   1HZ   LYS  13          1HZ       LYS  13  15.606  -2.389  -2.540
   97   2HZ   LYS  13          2HZ       LYS  13  16.980  -2.726  -3.468
   98   3HZ   LYS  13          3HZ       LYS  13  16.856  -3.329  -1.893
   99    H    TYR  14           H        TYR  14   9.123  -4.980  -1.794
  100    HA   TYR  14           HA       TYR  14   7.461  -4.417  -3.905
  101   1HB   TYR  14          2HB       TYR  14   8.320  -6.359  -5.467
  102   2HB   TYR  14          1HB       TYR  14   8.963  -4.730  -5.623
  103    HD1  TYR  14           1HD      TYR  14   9.703  -7.621  -3.363
  104    HD2  TYR  14           2HD      TYR  14  11.210  -4.755  -6.123
  105    HE1  TYR  14           1HE      TYR  14  11.976  -8.498  -3.023
  106    HE2  TYR  14           2HE      TYR  14  13.486  -5.624  -5.791
  107    HH   TYR  14           HH       TYR  14  14.218  -8.462  -4.616
  108    H    GLY  15           H        GLY  15   5.965  -6.155  -4.433
  109   1HA   GLY  15          2HA       GLY  15   5.343  -8.504  -4.045
  110   2HA   GLY  15          1HA       GLY  15   6.075  -8.354  -2.456
  111    H    TYR  16           H        TYR  16   4.450  -8.627  -1.064
  112    HA   TYR  16           HA       TYR  16   1.987  -7.073  -1.489
  113   1HB   TYR  16          2HB       TYR  16   1.836  -9.606  -1.420
  114   2HB   TYR  16          1HB       TYR  16   2.277  -9.499   0.280
  115    HD1  TYR  16           1HD      TYR  16   0.781  -7.791   1.674
  116    HD2  TYR  16           2HD      TYR  16  -0.411  -9.679  -1.948
  117    HE1  TYR  16           1HE      TYR  16  -1.578  -7.431   2.269
  118    HE2  TYR  16           2HE      TYR  16  -2.772  -9.323  -1.364
  119    HH   TYR  16           HH       TYR  16  -4.092  -7.736   0.084
  120    H    TYR  17           H        TYR  17   1.570  -5.471  -0.126
  121    HA   TYR  17           HA       TYR  17   2.876  -5.493   2.514
  122   1HB   TYR  17          2HB       TYR  17   3.775  -3.810   0.797
  123   2HB   TYR  17          1HB       TYR  17   2.240  -2.973   0.986
  124    HD1  TYR  17           1HD      TYR  17   2.894  -0.964   2.006
  125    HD2  TYR  17           2HD      TYR  17   4.236  -4.661   3.630
  126    HE1  TYR  17           1HE      TYR  17   3.787   0.227   3.965
  127    HE2  TYR  17           2HE      TYR  17   5.130  -3.480   5.592
  128    HH   TYR  17           HH       TYR  17   4.403  -0.197   6.253
  129    H    GLN  18           H        GLN  18   1.348  -5.891   3.962
  130    HA   GLN  18           HA       GLN  18  -1.354  -5.781   3.738
  131   1HB   GLN  18          2HB       GLN  18   0.087  -6.631   5.681
  132   2HB   GLN  18          1HB       GLN  18  -0.004  -4.992   6.308
  133   1HG   GLN  18          2HG       GLN  18  -1.884  -5.574   7.313
  134   2HG   GLN  18          1HG       GLN  18  -2.633  -5.656   5.719
  135   1HE2  GLN  18          1HE2      GLN  18  -2.791  -7.233   8.352
  136   2HE2  GLN  18          2HE2      GLN  18  -2.736  -8.878   7.832
  137    H    GLU  19           H        GLU  19   0.747  -3.095   4.688
  138    HA   GLU  19           HA       GLU  19  -1.240  -1.265   5.399
  139   1HB   GLU  19          2HB       GLU  19   1.476  -1.218   5.350
  140   2HB   GLU  19          1HB       GLU  19   1.108  -0.151   4.000
  141   1HG   GLU  19          2HG       GLU  19  -0.192   1.284   5.421
  142   2HG   GLU  19          1HG       GLU  19  -0.006   0.172   6.775
  143    H    CYS  20           H        CYS  20   0.191  -1.993   2.249
  144    HA   CYS  20           HA       CYS  20  -1.105   0.062   0.814
  145   1HB   CYS  20          2HB       CYS  20   0.831  -1.751   0.216
  146   2HB   CYS  20          1HB       CYS  20  -0.541  -2.437  -0.648
  147    H    GLN  21           H        GLN  21  -1.881  -3.421   1.035
  148    HA   GLN  21           HA       GLN  21  -4.232  -3.334  -0.448
  149   1HB   GLN  21          2HB       GLN  21  -4.771  -5.470   0.487
  150   2HB   GLN  21          1HB       GLN  21  -3.031  -5.402   0.259
  151   1HG   GLN  21          2HG       GLN  21  -2.638  -5.726   2.405
  152   2HG   GLN  21          1HG       GLN  21  -3.803  -4.503   2.895
  153   1HE2  GLN  21          1HE2      GLN  21  -6.137  -5.507   1.944
  154   2HE2  GLN  21          2HE2      GLN  21  -6.512  -6.997   2.734
  155    H    ASP  22           H        ASP  22  -3.626  -2.429   2.856
  156    HA   ASP  22           HA       ASP  22  -6.337  -2.413   3.721
  157   1HB   ASP  22          2HB       ASP  22  -4.043  -2.307   5.063
  158   2HB   ASP  22          1HB       ASP  22  -4.339  -0.574   4.954
  159    H    CYS  23           H        CYS  23  -4.152   0.079   2.462
  160    HA   CYS  23           HA       CYS  23  -5.880   2.267   2.736
  161   1HB   CYS  23          2HB       CYS  23  -3.324   1.996   1.986
  162   2HB   CYS  23          1HB       CYS  23  -4.067   2.182   0.408
  163    H    CYS  24           H        CYS  24  -5.154   0.351  -0.167
  164    HA   CYS  24           HA       CYS  24  -6.967   1.475  -1.907
  165   1HB   CYS  24          2HB       CYS  24  -5.182  -0.304  -2.349
  166   2HB   CYS  24          1HB       CYS  24  -6.395  -1.481  -1.862
  167    H    LYS  25           H        LYS  25  -7.534  -1.491   0.015
  168    HA   LYS  25           HA       LYS  25 -10.185  -1.887  -0.646
  169   1HB   LYS  25          2HB       LYS  25 -10.371  -3.244   1.315
  170   2HB   LYS  25          1HB       LYS  25  -8.742  -3.438   0.688
  171   1HG   LYS  25          2HG       LYS  25  -7.826  -2.078   2.398
  172   2HG   LYS  25          1HG       LYS  25  -9.424  -1.547   2.922
  173   1HD   LYS  25          2HD       LYS  25  -9.138  -4.444   2.946
  174   2HD   LYS  25          1HD       LYS  25  -7.964  -3.637   3.988
  175   1HE   LYS  25          2HE       LYS  25 -10.907  -3.017   4.053
  176   2HE   LYS  25          1HE       LYS  25 -10.172  -4.266   5.057
  177   1HZ   LYS  25          1HZ       LYS  25  -9.155  -1.492   5.068
  178   2HZ   LYS  25          2HZ       LYS  25  -8.942  -2.699   6.233
  179   3HZ   LYS  25          3HZ       LYS  25 -10.450  -1.956   6.053
  180    H    ASN  26           H        ASN  26  -8.804   0.324   1.712
  181    HA   ASN  26           HA       ASN  26 -11.278   1.056   2.919
  182   1HB   ASN  26          2HB       ASN  26  -8.594   1.515   3.454
  183   2HB   ASN  26          1HB       ASN  26  -9.205   3.107   3.018
  184   1HD2  ASN  26          1HD2      ASN  26  -9.022   0.721   5.409
  185   2HD2  ASN  26          2HD2      ASN  26 -10.054   1.467   6.577
  186    H    ALA  27           H        ALA  27  -9.595   2.019   0.050
  187    HA   ALA  27           HA       ALA  27 -10.973   4.518  -0.280
  188   1HB   ALA  27          1HB       ALA  27  -9.795   3.220  -2.651
  189   2HB   ALA  27          2HB       ALA  27  -8.688   3.540  -1.316
  190   3HB   ALA  27          3HB       ALA  27  -9.602   4.863  -2.041
  191    H    GLY  28           H        GLY  28 -11.441   1.205  -1.289
  192   1HA   GLY  28          2HA       GLY  28 -13.969   0.839  -1.568
  193   2HA   GLY  28          1HA       GLY  28 -13.778   2.003  -2.868
  194    H    HIS  29           H        HIS  29 -11.480  -0.535  -2.021
  195    HA   HIS  29           HA       HIS  29 -12.269  -2.035  -4.406
  196   1HB   HIS  29          2HB       HIS  29  -9.397  -1.303  -3.821
  197   2HB   HIS  29          1HB       HIS  29 -10.010  -2.150  -5.236
  198    HD1  HIS  29           1HD      HIS  29 -12.036  -0.502  -6.454
  199    HD2  HIS  29           2HD      HIS  29  -8.830   1.249  -4.475
  200    HE1  HIS  29           1HE      HIS  29 -11.880   1.837  -7.365
  201    HE2  HIS  29           2HE      HIS  29  -9.872   2.843  -6.224
  202    H    ASN  30           H        ASN  30  -9.838  -3.709  -4.165
  203    HA   ASN  30           HA       ASN  30 -10.706  -5.281  -1.844
  204   1HB   ASN  30          2HB       ASN  30  -9.637  -5.968  -4.529
  205   2HB   ASN  30          1HB       ASN  30  -9.178  -7.021  -3.194
  206   1HD2  ASN  30          1HD2      ASN  30 -10.350  -8.763  -3.888
  207   2HD2  ASN  30          2HD2      ASN  30 -12.076  -8.802  -3.886
  208    H    GLY  31           H        GLY  31  -7.698  -4.516  -3.619
  209   1HA   GLY  31          2HA       GLY  31  -6.312  -3.896  -1.192
  210   2HA   GLY  31          1HA       GLY  31  -5.848  -5.465  -1.836
  211    H    GLY  32           H        GLY  32  -3.713  -4.518  -2.029
  212   1HA   GLY  32          2HA       GLY  32  -3.378  -3.304  -4.657
  213   2HA   GLY  32          1HA       GLY  32  -2.774  -2.377  -3.293
  214    H    THR  33           H        THR  33  -0.956  -2.960  -5.106
  215    HA   THR  33           HA       THR  33   0.543  -5.228  -3.969
  216    HB   THR  33           HB       THR  33  -0.121  -5.692  -6.273
  217    HG1  THR  33           1HG      THR  33   1.943  -6.396  -5.597
  218   1HG2  THR  33          1HG2      THR  33   1.621  -3.652  -7.459
  219   2HG2  THR  33          2HG2      THR  33   0.095  -3.061  -6.799
  220   3HG2  THR  33          3HG2      THR  33   0.094  -4.323  -8.031
  221    H    CYS  34           H        CYS  34   2.973  -4.974  -4.435
  222    HA   CYS  34           HA       CYS  34   3.750  -2.191  -3.850
  223   1HB   CYS  34          2HB       CYS  34   4.006  -4.092  -2.063
  224   2HB   CYS  34          1HB       CYS  34   5.417  -4.532  -3.016
  225    H    MET  35           H        MET  35   4.994  -1.251  -5.320
  226    HA   MET  35           HA       MET  35   6.699  -2.943  -7.023
  227   1HB   MET  35          2HB       MET  35   4.767  -0.792  -7.773
  228   2HB   MET  35          1HB       MET  35   6.221  -1.000  -8.742
  229   1HG   MET  35          2HG       MET  35   5.615  -3.330  -9.154
  230   2HG   MET  35          1HG       MET  35   4.158  -3.120  -8.185
  231   1HE   MET  35          1HE       MET  35   5.235  -0.636 -11.745
  232   2HE   MET  35          2HE       MET  35   5.332  -2.327 -12.234
  233   3HE   MET  35          3HE       MET  35   6.270  -1.754 -10.854
  234    H    PHE  36           H        PHE  36   8.547  -2.472  -5.786
  235    HA   PHE  36           HA       PHE  36  10.371  -1.304  -5.097
  236   1HB   PHE  36          2HB       PHE  36  10.733  -1.157  -7.479
  237   2HB   PHE  36          1HB       PHE  36   9.658   0.223  -7.593
  238    HD1  PHE  36           1HD      PHE  36  12.773  -0.862  -5.917
  239    HD2  PHE  36           2HD      PHE  36  10.559   2.356  -7.583
  240    HE1  PHE  36           1HE      PHE  36  14.706   0.627  -5.582
  241    HE2  PHE  36           2HE      PHE  36  12.482   3.858  -7.256
  242    HZ   PHE  36           HZ       PHE  36  14.560   2.993  -6.253
  243    H    PHE  37           H        PHE  37   8.607  -0.647  -3.382
  244    HA   PHE  37           HA       PHE  37   8.097   0.902  -1.808
  245   1HB   PHE  37          2HB       PHE  37   9.646   2.925  -3.423
  246   2HB   PHE  37          1HB       PHE  37   9.288   2.966  -1.700
  247    HD1  PHE  37           1HD      PHE  37   9.916   0.080  -1.085
  248    HD2  PHE  37           2HD      PHE  37  12.003   3.012  -3.355
  249    HE1  PHE  37           1HE      PHE  37  12.036  -1.071  -0.612
  250    HE2  PHE  37           2HE      PHE  37  14.129   1.862  -2.889
  251    HZ   PHE  37           HZ       PHE  37  14.145  -0.186  -1.516
  252    H    LYS  38           H        LYS  38   6.842   0.819  -4.767
  253    HA   LYS  38           HA       LYS  38   5.267   3.279  -4.478
  254   1HB   LYS  38          2HB       LYS  38   5.721   1.407  -6.785
  255   2HB   LYS  38          1HB       LYS  38   4.360   2.515  -6.777
  256   1HG   LYS  38          2HG       LYS  38   6.941   3.753  -6.152
  257   2HG   LYS  38          1HG       LYS  38   6.813   3.082  -7.779
  258   1HD   LYS  38          2HD       LYS  38   5.032   4.479  -8.345
  259   2HD   LYS  38          1HD       LYS  38   4.645   4.823  -6.657
  260   1HE   LYS  38          2HE       LYS  38   7.082   5.845  -6.679
  261   2HE   LYS  38          1HE       LYS  38   6.754   5.986  -8.406
  262   1HZ   LYS  38          1HZ       LYS  38   5.007   7.437  -8.038
  263   2HZ   LYS  38          2HZ       LYS  38   6.133   7.928  -6.876
  264   3HZ   LYS  38          3HZ       LYS  38   4.809   6.978  -6.422
  265    H    CYS  39           H        CYS  39   3.279   3.207  -3.685
  266    HA   CYS  39           HA       CYS  39   2.089   0.617  -3.112
  267   1HB   CYS  39          2HB       CYS  39   2.191   3.032  -1.733
  268   2HB   CYS  39          1HB       CYS  39   0.523   2.924  -2.285
  269    H    LYS  40           H        LYS  40   1.155  -0.186  -4.920
  270    HA   LYS  40           HA       LYS  40  -0.771   1.526  -6.340
  271   1HB   LYS  40          2HB       LYS  40   1.254   0.054  -7.400
  272   2HB   LYS  40          1HB       LYS  40  -0.068  -1.101  -7.496
  273   1HG   LYS  40          2HG       LYS  40   0.209   0.228  -9.548
  274   2HG   LYS  40          1HG       LYS  40  -1.380   0.431  -8.808
  275   1HD   LYS  40          2HD       LYS  40   0.371   2.392  -7.717
  276   2HD   LYS  40          1HD       LYS  40   0.534   2.424  -9.473
  277   1HE   LYS  40          2HE       LYS  40  -2.182   2.224  -9.116
  278   2HE   LYS  40          1HE       LYS  40  -1.690   3.260  -7.777
  279   1HZ   LYS  40          1HZ       LYS  40  -1.870   4.854  -9.329
  280   2HZ   LYS  40          2HZ       LYS  40  -1.681   3.789 -10.629
  281   3HZ   LYS  40          3HZ       LYS  40  -0.323   4.347  -9.788
  282    H    CYS  41           H        CYS  41  -2.661   0.164  -7.294
  283    HA   CYS  41           HA       CYS  41  -3.790  -1.354  -5.066
  284   1HB   CYS  41          2HB       CYS  41  -4.904   0.338  -7.235
  285   2HB   CYS  41          1HB       CYS  41  -5.890  -0.985  -6.661
  286    H    ALA  42           H        ALA  42  -5.713  -2.804  -6.204
  287    HA   ALA  42           HA       ALA  42  -4.278  -4.625  -8.029
  288   1HB   ALA  42          1HB       ALA  42  -4.871  -5.281  -5.531
  289   2HB   ALA  42          2HB       ALA  42  -4.949  -6.454  -6.847
  290   3HB   ALA  42          3HB       ALA  42  -6.424  -5.679  -6.267
  Start of MODEL   14
    1   1H    ASP   1          1HT       ASP   1 -12.158  14.844  -3.678
    2   2H    ASP   1          2HT       ASP   1 -10.970  13.610  -3.572
    3   3H    ASP   1          3HT       ASP   1 -12.166  13.549  -4.801
    4    HA   ASP   1           HA       ASP   1 -11.287  15.374  -5.899
    5   1HB   ASP   1          2HB       ASP   1  -9.551  15.647  -3.436
    6   2HB   ASP   1          1HB       ASP   1  -9.298  16.565  -4.917
    7    H    ARG   2           H        ARG   2  -8.944  13.547  -3.918
    8    HA   ARG   2           HA       ARG   2  -8.203  11.753  -5.931
    9   1HB   ARG   2          2HB       ARG   2  -7.293  13.713  -7.066
   10   2HB   ARG   2          1HB       ARG   2  -6.347  14.120  -5.641
   11   1HG   ARG   2          2HG       ARG   2  -4.687  12.985  -6.584
   12   2HG   ARG   2          1HG       ARG   2  -5.594  11.524  -6.188
   13   1HD   ARG   2          2HD       ARG   2  -5.093  11.349  -8.481
   14   2HD   ARG   2          1HD       ARG   2  -6.786  11.839  -8.405
   15    HE   ARG   2           HE       ARG   2  -5.075  14.096  -8.609
   16   1HH1  ARG   2          1HH1      ARG   2  -6.461  11.500 -10.484
   17   2HH1  ARG   2          2HH1      ARG   2  -6.402  12.379 -11.975
   18   1HH2  ARG   2          1HH2      ARG   2  -4.996  15.253 -10.569
   19   2HH2  ARG   2          2HH2      ARG   2  -5.570  14.508 -12.024
   20    H    ASP   3           H        ASP   3  -7.874  10.148  -4.552
   21    HA   ASP   3           HA       ASP   3  -6.554  10.557  -2.017
   22   1HB   ASP   3          2HB       ASP   3  -8.456   9.011  -2.187
   23   2HB   ASP   3          1HB       ASP   3  -7.552   8.014  -3.321
   24    H    SER   4           H        SER   4  -5.958   8.022  -4.445
   25    HA   SER   4           HA       SER   4  -4.037   7.028  -5.153
   26   1HB   SER   4          2HB       SER   4  -3.869   9.567  -5.925
   27   2HB   SER   4          1HB       SER   4  -2.502   9.564  -4.811
   28    HG   SER   4           HG       SER   4  -2.870   7.706  -6.925
   29    H    CYS   5           H        CYS   5  -3.676   5.661  -3.406
   30    HA   CYS   5           HA       CYS   5  -2.338   6.500  -1.033
   31   1HB   CYS   5          2HB       CYS   5  -3.027   3.813  -2.199
   32   2HB   CYS   5          1HB       CYS   5  -2.059   3.952  -0.736
   33    H    VAL   6           H        VAL   6  -1.240   5.820  -4.165
   34    HA   VAL   6           HA       VAL   6   1.189   4.555  -3.819
   35    HB   VAL   6           HB       VAL   6   0.036   5.348  -5.983
   36   1HG1  VAL   6          1HG1      VAL   6   0.024   7.740  -5.455
   37   2HG1  VAL   6          2HG1      VAL   6   0.868   7.399  -6.965
   38   3HG1  VAL   6          3HG1      VAL   6   1.787   7.749  -5.502
   39   1HG2  VAL   6          1HG2      VAL   6   2.916   5.847  -6.300
   40   2HG2  VAL   6          2HG2      VAL   6   1.873   4.664  -7.090
   41   3HG2  VAL   6          3HG2      VAL   6   2.491   4.350  -5.468
   42    H    ASP   7           H        ASP   7   0.456   8.000  -3.550
   43    HA   ASP   7           HA       ASP   7   3.162   8.505  -2.559
   44   1HB   ASP   7          2HB       ASP   7   1.895  10.952  -2.583
   45   2HB   ASP   7          1HB       ASP   7   2.920  10.320  -3.862
   46    H    LYS   8           H        LYS   8  -0.083   8.182  -1.465
   47    HA   LYS   8           HA       LYS   8   0.146   9.719   0.918
   48   1HB   LYS   8          2HB       LYS   8  -1.979   8.846  -0.305
   49   2HB   LYS   8          1HB       LYS   8  -1.717   7.384   0.636
   50   1HG   LYS   8          2HG       LYS   8  -1.659   8.942   2.673
   51   2HG   LYS   8          1HG       LYS   8  -2.380  10.141   1.597
   52   1HD   LYS   8          2HD       LYS   8  -3.677   7.521   1.486
   53   2HD   LYS   8          1HD       LYS   8  -3.762   8.290   3.072
   54   1HE   LYS   8          2HE       LYS   8  -4.314  10.137   0.891
   55   2HE   LYS   8          1HE       LYS   8  -5.433   8.775   0.928
   56   1HZ   LYS   8          1HZ       LYS   8  -5.908  10.901   2.318
   57   2HZ   LYS   8          2HZ       LYS   8  -4.837  10.202   3.425
   58   3HZ   LYS   8          3HZ       LYS   8  -6.240   9.376   2.970
   59    H    SER   9           H        SER   9  -0.156   6.176   0.599
   60    HA   SER   9           HA       SER   9   1.257   5.865   3.131
   61   1HB   SER   9          2HB       SER   9  -0.911   4.613   2.460
   62   2HB   SER   9          1HB       SER   9   0.152   3.602   1.483
   63    HG   SER   9           HG       SER   9   0.627   4.082   4.230
   64    H    ARG  10           H        ARG  10   3.074   4.488   3.375
   65    HA   ARG  10           HA       ARG  10   4.824   4.503   1.055
   66   1HB   ARG  10          2HB       ARG  10   5.539   5.350   3.315
   67   2HB   ARG  10          1HB       ARG  10   5.450   3.690   3.894
   68   1HG   ARG  10          2HG       ARG  10   7.334   3.070   2.831
   69   2HG   ARG  10          1HG       ARG  10   7.077   4.170   1.477
   70   1HD   ARG  10          2HD       ARG  10   8.130   5.899   2.502
   71   2HD   ARG  10          1HD       ARG  10   7.618   5.400   4.113
   72    HE   ARG  10           HE       ARG  10   9.381   3.487   3.474
   73   1HH1  ARG  10          1HH1      ARG  10   9.572   6.969   3.270
   74   2HH1  ARG  10          2HH1      ARG  10  11.285   7.011   3.513
   75   1HH2  ARG  10          1HH2      ARG  10  11.635   3.547   3.794
   76   2HH2  ARG  10          2HH2      ARG  10  12.456   5.071   3.810
   77    H    CYS  11           H        CYS  11   6.255   2.565   0.732
   78    HA   CYS  11           HA       CYS  11   4.978   0.038   1.451
   79   1HB   CYS  11          2HB       CYS  11   4.331   1.027  -0.925
   80   2HB   CYS  11          1HB       CYS  11   5.883   0.334  -1.374
   81    H    ALA  12           H        ALA  12   6.372  -1.850   0.699
   82    HA   ALA  12           HA       ALA  12   9.106  -1.295   1.517
   83   1HB   ALA  12          1HB       ALA  12   8.965  -4.001   1.086
   84   2HB   ALA  12          2HB       ALA  12   7.316  -3.600   1.563
   85   3HB   ALA  12          3HB       ALA  12   8.664  -3.191   2.623
   86    H    LYS  13           H        LYS  13  10.589  -3.188   0.297
   87    HA   LYS  13           HA       LYS  13  11.322  -2.068  -2.113
   88   1HB   LYS  13          2HB       LYS  13  12.476  -3.857  -0.565
   89   2HB   LYS  13          1HB       LYS  13  11.745  -4.992  -1.687
   90   1HG   LYS  13          2HG       LYS  13  12.977  -4.160  -3.504
   91   2HG   LYS  13          1HG       LYS  13  13.448  -2.707  -2.621
   92   1HD   LYS  13          2HD       LYS  13  14.977  -3.872  -1.288
   93   2HD   LYS  13          1HD       LYS  13  14.253  -5.436  -1.667
   94   1HE   LYS  13          2HE       LYS  13  15.339  -5.612  -3.657
   95   2HE   LYS  13          1HE       LYS  13  15.353  -3.871  -3.928
   96   1HZ   LYS  13          1HZ       LYS  13  17.175  -5.477  -2.244
   97   2HZ   LYS  13          2HZ       LYS  13  17.032  -3.804  -2.044
   98   3HZ   LYS  13          3HZ       LYS  13  17.563  -4.437  -3.521
   99    H    TYR  14           H        TYR  14   9.138  -4.810  -1.556
  100    HA   TYR  14           HA       TYR  14   7.457  -4.333  -3.673
  101   1HB   TYR  14          2HB       TYR  14   8.298  -6.286  -5.193
  102   2HB   TYR  14          1HB       TYR  14   8.995  -4.681  -5.367
  103    HD1  TYR  14           1HD      TYR  14   9.624  -7.559  -3.055
  104    HD2  TYR  14           2HD      TYR  14  11.243  -4.798  -5.857
  105    HE1  TYR  14           1HE      TYR  14  11.862  -8.507  -2.686
  106    HE2  TYR  14           2HE      TYR  14  13.486  -5.739  -5.497
  107    HH   TYR  14           HH       TYR  14  14.002  -8.664  -3.792
  108    H    GLY  15           H        GLY  15   6.022  -6.165  -4.191
  109   1HA   GLY  15          2HA       GLY  15   5.349  -8.446  -3.719
  110   2HA   GLY  15          1HA       GLY  15   6.176  -8.314  -2.175
  111    H    TYR  16           H        TYR  16   4.208  -9.088  -1.221
  112    HA   TYR  16           HA       TYR  16   1.856  -7.415  -1.350
  113   1HB   TYR  16          2HB       TYR  16   1.472  -9.772  -1.232
  114   2HB   TYR  16          1HB       TYR  16   2.522  -9.939   0.166
  115    HD1  TYR  16           1HD      TYR  16   0.260  -7.095   0.149
  116    HD2  TYR  16           2HD      TYR  16   0.669 -11.184   1.253
  117    HE1  TYR  16           1HE      TYR  16  -1.679  -6.879   1.649
  118    HE2  TYR  16           2HE      TYR  16  -1.270 -10.980   2.748
  119    HH   TYR  16           HH       TYR  16  -2.791  -7.886   3.387
  120    H    TYR  17           H        TYR  17   1.717  -5.616  -0.215
  121    HA   TYR  17           HA       TYR  17   2.959  -5.517   2.456
  122   1HB   TYR  17          2HB       TYR  17   3.785  -3.934   0.559
  123   2HB   TYR  17          1HB       TYR  17   2.285  -3.062   0.855
  124    HD1  TYR  17           1HD      TYR  17   2.960  -1.057   1.835
  125    HD2  TYR  17           2HD      TYR  17   4.557  -4.719   3.299
  126    HE1  TYR  17           1HE      TYR  17   4.035   0.159   3.686
  127    HE2  TYR  17           2HE      TYR  17   5.632  -3.516   5.154
  128    HH   TYR  17           HH       TYR  17   6.445  -1.097   5.555
  129    H    GLN  18           H        GLN  18   1.268  -6.145   3.707
  130    HA   GLN  18           HA       GLN  18  -1.395  -5.830   3.457
  131   1HB   GLN  18          2HB       GLN  18   0.085  -6.796   5.407
  132   2HB   GLN  18          1HB       GLN  18  -0.236  -5.234   6.142
  133   1HG   GLN  18          2HG       GLN  18  -2.569  -5.619   6.168
  134   2HG   GLN  18          1HG       GLN  18  -2.413  -7.037   5.132
  135   1HE2  GLN  18          1HE2      GLN  18  -1.537  -5.754   8.302
  136   2HE2  GLN  18          2HE2      GLN  18  -1.531  -7.278   9.116
  137    H    GLU  19           H        GLU  19   0.862  -3.301   4.348
  138    HA   GLU  19           HA       GLU  19  -0.954  -1.399   5.312
  139   1HB   GLU  19          2HB       GLU  19   1.796  -1.501   4.757
  140   2HB   GLU  19          1HB       GLU  19   1.179  -0.165   3.797
  141   1HG   GLU  19          2HG       GLU  19   0.494   1.028   5.655
  142   2HG   GLU  19          1HG       GLU  19   0.452  -0.403   6.683
  143    H    CYS  20           H        CYS  20   0.313  -1.884   2.023
  144    HA   CYS  20           HA       CYS  20  -1.194   0.172   0.819
  145   1HB   CYS  20          2HB       CYS  20   0.832  -1.390  -0.024
  146   2HB   CYS  20          1HB       CYS  20  -0.512  -2.208  -0.813
  147    H    GLN  21           H        GLN  21  -1.811  -3.276   1.285
  148    HA   GLN  21           HA       GLN  21  -4.125  -3.505  -0.261
  149   1HB   GLN  21          2HB       GLN  21  -2.676  -5.124   1.555
  150   2HB   GLN  21          1HB       GLN  21  -4.350  -5.137   2.091
  151   1HG   GLN  21          2HG       GLN  21  -4.317  -5.460  -0.730
  152   2HG   GLN  21          1HG       GLN  21  -3.156  -6.585  -0.026
  153   1HE2  GLN  21          1HE2      GLN  21  -6.455  -5.390   0.500
  154   2HE2  GLN  21          2HE2      GLN  21  -7.124  -6.921   0.939
  155    H    ASP  22           H        ASP  22  -3.750  -2.654   3.165
  156    HA   ASP  22           HA       ASP  22  -6.497  -2.414   3.737
  157   1HB   ASP  22          2HB       ASP  22  -4.654  -2.585   5.435
  158   2HB   ASP  22          1HB       ASP  22  -4.235  -0.914   5.071
  159    H    CYS  23           H        CYS  23  -4.112  -0.142   2.496
  160    HA   CYS  23           HA       CYS  23  -5.588   2.220   2.716
  161   1HB   CYS  23          2HB       CYS  23  -3.107   1.666   1.910
  162   2HB   CYS  23          1HB       CYS  23  -3.871   1.833   0.340
  163    H    CYS  24           H        CYS  24  -5.149   0.196  -0.175
  164    HA   CYS  24           HA       CYS  24  -7.007   1.470  -1.798
  165   1HB   CYS  24          2HB       CYS  24  -5.240  -0.377  -2.308
  166   2HB   CYS  24          1HB       CYS  24  -6.551  -1.490  -1.949
  167    H    LYS  25           H        LYS  25  -7.455  -1.487   0.142
  168    HA   LYS  25           HA       LYS  25 -10.089  -2.026  -0.373
  169   1HB   LYS  25          2HB       LYS  25  -8.795  -3.535   0.958
  170   2HB   LYS  25          1HB       LYS  25  -8.517  -2.310   2.188
  171   1HG   LYS  25          2HG       LYS  25 -11.322  -3.088   1.610
  172   2HG   LYS  25          1HG       LYS  25 -10.303  -4.224   2.499
  173   1HD   LYS  25          2HD       LYS  25 -10.090  -1.469   3.450
  174   2HD   LYS  25          1HD       LYS  25 -11.712  -2.144   3.600
  175   1HE   LYS  25          2HE       LYS  25 -10.787  -2.806   5.593
  176   2HE   LYS  25          1HE       LYS  25 -10.433  -4.207   4.584
  177   1HZ   LYS  25          1HZ       LYS  25  -8.437  -2.083   4.627
  178   2HZ   LYS  25          2HZ       LYS  25  -8.231  -3.761   4.579
  179   3HZ   LYS  25          3HZ       LYS  25  -8.599  -2.996   6.043
  180    H    ASN  26           H        ASN  26  -8.820   0.166   2.128
  181    HA   ASN  26           HA       ASN  26 -11.328   0.971   3.129
  182   1HB   ASN  26          2HB       ASN  26  -8.710   1.417   3.835
  183   2HB   ASN  26          1HB       ASN  26  -9.214   3.002   3.261
  184   1HD2  ASN  26          1HD2      ASN  26  -9.110   0.963   5.872
  185   2HD2  ASN  26          2HD2      ASN  26 -10.278   1.744   6.877
  186    H    ALA  27           H        ALA  27  -9.464   1.964   0.368
  187    HA   ALA  27           HA       ALA  27 -10.753   4.450  -0.090
  188   1HB   ALA  27          1HB       ALA  27  -9.718   2.977  -2.426
  189   2HB   ALA  27          2HB       ALA  27  -8.564   3.278  -1.126
  190   3HB   ALA  27          3HB       ALA  27  -9.402   4.628  -1.891
  191    H    GLY  28           H        GLY  28 -11.474   1.136  -0.949
  192   1HA   GLY  28          2HA       GLY  28 -14.051   1.002  -1.165
  193   2HA   GLY  28          1HA       GLY  28 -13.756   2.027  -2.557
  194    H    HIS  29           H        HIS  29 -11.115   0.149  -2.510
  195    HA   HIS  29           HA       HIS  29 -12.320  -1.749  -4.386
  196   1HB   HIS  29          2HB       HIS  29  -9.382  -1.182  -4.000
  197   2HB   HIS  29          1HB       HIS  29 -10.150  -1.984  -5.364
  198    HD1  HIS  29           1HD      HIS  29 -11.934  -0.302  -6.686
  199    HD2  HIS  29           2HD      HIS  29  -8.868   1.431  -4.478
  200    HE1  HIS  29           1HE      HIS  29 -11.715   2.044  -7.564
  201    HE2  HIS  29           2HE      HIS  29  -9.817   3.056  -6.253
  202    H    ASN  30           H        ASN  30  -9.837  -3.453  -4.126
  203    HA   ASN  30           HA       ASN  30 -10.688  -4.898  -1.711
  204   1HB   ASN  30          2HB       ASN  30  -9.622  -6.890  -2.881
  205   2HB   ASN  30          1HB       ASN  30 -11.097  -6.259  -3.609
  206   1HD2  ASN  30          1HD2      ASN  30  -8.197  -7.458  -4.338
  207   2HD2  ASN  30          2HD2      ASN  30  -7.889  -6.657  -5.839
  208    H    GLY  31           H        GLY  31  -7.794  -4.175  -3.671
  209   1HA   GLY  31          2HA       GLY  31  -6.215  -3.578  -1.392
  210   2HA   GLY  31          1HA       GLY  31  -5.881  -5.213  -1.940
  211    H    GLY  32           H        GLY  32  -3.738  -4.652  -2.467
  212   1HA   GLY  32          2HA       GLY  32  -3.450  -3.656  -5.148
  213   2HA   GLY  32          1HA       GLY  32  -2.802  -2.557  -3.942
  214    H    THR  33           H        THR  33  -0.792  -2.988  -5.174
  215    HA   THR  33           HA       THR  33   0.598  -5.290  -4.002
  216    HB   THR  33           HB       THR  33   0.158  -6.060  -6.199
  217    HG1  THR  33           1HG      THR  33   2.214  -6.557  -5.990
  218   1HG2  THR  33          1HG2      THR  33   0.973  -3.331  -7.141
  219   2HG2  THR  33          2HG2      THR  33  -0.568  -4.154  -7.375
  220   3HG2  THR  33          3HG2      THR  33   0.874  -4.732  -8.207
  221    H    CYS  34           H        CYS  34   2.997  -5.071  -4.174
  222    HA   CYS  34           HA       CYS  34   3.759  -2.256  -3.783
  223   1HB   CYS  34          2HB       CYS  34   4.003  -4.107  -1.941
  224   2HB   CYS  34          1HB       CYS  34   5.437  -4.553  -2.854
  225    H    MET  35           H        MET  35   5.072  -1.338  -5.213
  226    HA   MET  35           HA       MET  35   6.841  -3.051  -6.820
  227   1HB   MET  35          2HB       MET  35   4.826  -1.052  -7.726
  228   2HB   MET  35          1HB       MET  35   6.331  -1.174  -8.628
  229   1HG   MET  35          2HG       MET  35   5.073  -3.750  -8.068
  230   2HG   MET  35          1HG       MET  35   4.095  -2.671  -9.062
  231   1HE   MET  35          1HE       MET  35   4.074  -3.295 -11.435
  232   2HE   MET  35          2HE       MET  35   5.485  -3.002 -12.453
  233   3HE   MET  35          3HE       MET  35   4.861  -1.717 -11.419
  234    H    PHE  36           H        PHE  36   8.675  -2.475  -5.657
  235    HA   PHE  36           HA       PHE  36  10.425  -1.205  -4.943
  236   1HB   PHE  36          2HB       PHE  36  10.848  -1.144  -7.318
  237   2HB   PHE  36          1HB       PHE  36   9.722   0.185  -7.523
  238    HD1  PHE  36           1HD      PHE  36  12.843  -0.704  -5.744
  239    HD2  PHE  36           2HD      PHE  36  10.523   2.359  -7.556
  240    HE1  PHE  36           1HE      PHE  36  14.702   0.879  -5.424
  241    HE2  PHE  36           2HE      PHE  36  12.373   3.953  -7.244
  242    HZ   PHE  36           HZ       PHE  36  14.466   3.213  -6.176
  243    H    PHE  37           H        PHE  37   8.674  -0.534  -3.266
  244    HA   PHE  37           HA       PHE  37   7.987   1.063  -1.810
  245   1HB   PHE  37          2HB       PHE  37   9.630   3.035  -3.398
  246   2HB   PHE  37          1HB       PHE  37   9.169   3.135  -1.701
  247    HD1  PHE  37           1HD      PHE  37   9.764   0.254  -0.981
  248    HD2  PHE  37           2HD      PHE  37  11.980   3.158  -3.161
  249    HE1  PHE  37           1HE      PHE  37  11.855  -0.873  -0.344
  250    HE2  PHE  37           2HE      PHE  37  14.078   2.035  -2.531
  251    HZ   PHE  37           HZ       PHE  37  14.016   0.013  -1.122
  252    H    LYS  38           H        LYS  38   6.781   0.712  -4.658
  253    HA   LYS  38           HA       LYS  38   5.262   3.228  -4.717
  254   1HB   LYS  38          2HB       LYS  38   5.415   1.077  -6.836
  255   2HB   LYS  38          1HB       LYS  38   4.593   2.622  -6.981
  256   1HG   LYS  38          2HG       LYS  38   7.522   2.526  -6.397
  257   2HG   LYS  38          1HG       LYS  38   6.924   2.326  -8.046
  258   1HD   LYS  38          2HD       LYS  38   6.142   4.646  -6.295
  259   2HD   LYS  38          1HD       LYS  38   7.550   4.683  -7.357
  260   1HE   LYS  38          2HE       LYS  38   6.145   4.304  -9.290
  261   2HE   LYS  38          1HE       LYS  38   4.725   4.137  -8.258
  262   1HZ   LYS  38          1HZ       LYS  38   6.360   6.599  -8.556
  263   2HZ   LYS  38          2HZ       LYS  38   4.990   6.438  -7.578
  264   3HZ   LYS  38          3HZ       LYS  38   4.845   6.332  -9.259
  265    H    CYS  39           H        CYS  39   3.268   3.233  -3.943
  266    HA   CYS  39           HA       CYS  39   2.013   0.712  -3.224
  267   1HB   CYS  39          2HB       CYS  39   2.113   3.216  -2.025
  268   2HB   CYS  39          1HB       CYS  39   0.468   3.115  -2.643
  269    H    LYS  40           H        LYS  40   1.154  -0.207  -5.028
  270    HA   LYS  40           HA       LYS  40  -0.710   1.418  -6.623
  271   1HB   LYS  40          2HB       LYS  40   1.328  -0.046  -7.564
  272   2HB   LYS  40          1HB       LYS  40   0.094  -1.297  -7.526
  273   1HG   LYS  40          2HG       LYS  40  -1.244   0.749  -8.720
  274   2HG   LYS  40          1HG       LYS  40   0.399   1.000  -9.312
  275   1HD   LYS  40          2HD       LYS  40   0.328  -1.562  -9.783
  276   2HD   LYS  40          1HD       LYS  40  -1.421  -1.343  -9.698
  277   1HE   LYS  40          2HE       LYS  40  -0.660   0.726 -11.315
  278   2HE   LYS  40          1HE       LYS  40   0.481  -0.538 -11.772
  279   1HZ   LYS  40          1HZ       LYS  40  -2.314  -1.323 -11.540
  280   2HZ   LYS  40          2HZ       LYS  40  -1.142  -1.809 -12.659
  281   3HZ   LYS  40          3HZ       LYS  40  -1.920  -0.319 -12.844
  282    H    CYS  41           H        CYS  41  -2.677   0.258  -7.404
  283    HA   CYS  41           HA       CYS  41  -3.782  -1.348  -5.221
  284   1HB   CYS  41          2HB       CYS  41  -4.901   0.572  -7.193
  285   2HB   CYS  41          1HB       CYS  41  -5.937  -0.732  -6.661
  286    H    ALA  42           H        ALA  42  -5.859  -2.583  -6.380
  287    HA   ALA  42           HA       ALA  42  -4.649  -4.290  -8.459
  288   1HB   ALA  42          1HB       ALA  42  -5.928  -5.006  -5.893
  289   2HB   ALA  42          2HB       ALA  42  -4.639  -5.813  -6.785
  290   3HB   ALA  42          3HB       ALA  42  -6.318  -6.020  -7.281
  Start of MODEL   15
    1   1H    ASP   1          1HT       ASP   1  -7.691  14.458   2.903
    2   2H    ASP   1          2HT       ASP   1  -6.579  13.315   2.268
    3   3H    ASP   1          3HT       ASP   1  -8.017  12.781   3.038
    4    HA   ASP   1           HA       ASP   1  -9.254  14.022   1.298
    5   1HB   ASP   1          2HB       ASP   1  -6.457  14.482   0.540
    6   2HB   ASP   1          1HB       ASP   1  -7.458  13.909  -0.791
    7    H    ARG   2           H        ARG   2  -9.851  12.826  -0.701
    8    HA   ARG   2           HA       ARG   2  -9.355   9.967  -0.312
    9   1HB   ARG   2          2HB       ARG   2 -11.540  11.533  -1.653
   10   2HB   ARG   2          1HB       ARG   2 -11.320   9.823  -1.998
   11   1HG   ARG   2          2HG       ARG   2 -11.328   9.731   0.677
   12   2HG   ARG   2          1HG       ARG   2 -12.338  11.156   0.427
   13   1HD   ARG   2          2HD       ARG   2 -12.781   8.460  -0.853
   14   2HD   ARG   2          1HD       ARG   2 -13.645   9.067   0.559
   15    HE   ARG   2           HE       ARG   2 -14.076  10.990  -1.286
   16   1HH1  ARG   2          1HH1      ARG   2 -14.475   7.523  -1.333
   17   2HH1  ARG   2          2HH1      ARG   2 -15.790   7.564  -2.459
   18   1HH2  ARG   2          1HH2      ARG   2 -15.806  11.046  -2.767
   19   2HH2  ARG   2          2HH2      ARG   2 -16.545   9.564  -3.274
   20    H    ASP   3           H        ASP   3  -7.312  11.519  -1.510
   21    HA   ASP   3           HA       ASP   3  -7.325  11.487  -4.310
   22   1HB   ASP   3          2HB       ASP   3  -5.536  12.246  -2.312
   23   2HB   ASP   3          1HB       ASP   3  -4.686  10.981  -3.195
   24    H    SER   4           H        SER   4  -5.319   9.310  -2.332
   25    HA   SER   4           HA       SER   4  -6.312   6.912  -3.392
   26   1HB   SER   4          2HB       SER   4  -5.433   7.521  -5.516
   27   2HB   SER   4          1HB       SER   4  -3.914   8.064  -4.804
   28    HG   SER   4           HG       SER   4  -4.797   5.385  -4.612
   29    H    CYS   5           H        CYS   5  -2.941   6.877  -3.463
   30    HA   CYS   5           HA       CYS   5  -2.310   6.765  -0.729
   31   1HB   CYS   5          2HB       CYS   5  -3.825   4.679  -1.132
   32   2HB   CYS   5          1HB       CYS   5  -2.386   3.999  -1.885
   33    H    VAL   6           H        VAL   6  -1.613   5.733  -4.004
   34    HA   VAL   6           HA       VAL   6   0.930   4.817  -3.946
   35    HB   VAL   6           HB       VAL   6   0.075   6.921  -5.901
   36   1HG1  VAL   6          1HG1      VAL   6   2.246   4.935  -5.760
   37   2HG1  VAL   6          2HG1      VAL   6   2.197   6.510  -6.552
   38   3HG1  VAL   6          3HG1      VAL   6   1.453   5.111  -7.326
   39   1HG2  VAL   6          1HG2      VAL   6  -1.588   5.602  -6.560
   40   2HG2  VAL   6          2HG2      VAL   6  -1.130   4.375  -5.379
   41   3HG2  VAL   6          3HG2      VAL   6  -0.398   4.372  -6.983
   42    H    ASP   7           H        ASP   7  -0.071   8.149  -3.470
   43    HA   ASP   7           HA       ASP   7   2.726   8.839  -2.844
   44   1HB   ASP   7          2HB       ASP   7   1.470   9.968  -4.862
   45   2HB   ASP   7          1HB       ASP   7   0.722  10.934  -3.593
   46    H    LYS   8           H        LYS   8   0.880   7.683  -1.003
   47    HA   LYS   8           HA       LYS   8   0.723   9.883   0.935
   48   1HB   LYS   8          2HB       LYS   8  -1.529   9.107  -0.185
   49   2HB   LYS   8          1HB       LYS   8  -1.393   7.769   0.947
   50   1HG   LYS   8          2HG       LYS   8  -1.230   9.425   2.792
   51   2HG   LYS   8          1HG       LYS   8  -1.542  10.700   1.613
   52   1HD   LYS   8          2HD       LYS   8  -3.626  10.196   2.626
   53   2HD   LYS   8          1HD       LYS   8  -3.662   9.467   1.019
   54   1HE   LYS   8          2HE       LYS   8  -4.371   7.647   2.140
   55   2HE   LYS   8          1HE       LYS   8  -2.651   7.421   2.459
   56   1HZ   LYS   8          1HZ       LYS   8  -3.362   7.349   4.576
   57   2HZ   LYS   8          2HZ       LYS   8  -4.782   8.214   4.263
   58   3HZ   LYS   8          3HZ       LYS   8  -3.319   9.037   4.462
   59    H    SER   9           H        SER   9   0.428   6.349   0.570
   60    HA   SER   9           HA       SER   9   1.708   6.033   3.194
   61   1HB   SER   9          2HB       SER   9  -0.536   4.893   2.555
   62   2HB   SER   9          1HB       SER   9   0.473   3.785   1.625
   63    HG   SER   9           HG       SER   9   0.212   2.933   3.666
   64    H    ARG  10           H        ARG  10   3.463   4.602   3.468
   65    HA   ARG  10           HA       ARG  10   5.206   4.469   1.160
   66   1HB   ARG  10          2HB       ARG  10   5.981   5.234   3.423
   67   2HB   ARG  10          1HB       ARG  10   5.755   3.585   3.994
   68   1HG   ARG  10          2HG       ARG  10   7.449   2.767   2.550
   69   2HG   ARG  10          1HG       ARG  10   7.557   4.310   1.703
   70   1HD   ARG  10          2HD       ARG  10   8.339   3.739   4.558
   71   2HD   ARG  10          1HD       ARG  10   9.417   4.119   3.216
   72    HE   ARG  10           HE       ARG  10   7.749   6.268   3.363
   73   1HH1  ARG  10          1HH1      ARG  10   9.843   4.642   5.632
   74   2HH1  ARG  10          2HH1      ARG  10  10.170   6.075   6.548
   75   1HH2  ARG  10          1HH2      ARG  10   8.179   8.153   4.565
   76   2HH2  ARG  10          2HH2      ARG  10   9.225   8.068   5.943
   77    H    CYS  11           H        CYS  11   6.500   2.463   0.806
   78    HA   CYS  11           HA       CYS  11   5.124  -0.010   1.514
   79   1HB   CYS  11          2HB       CYS  11   4.368   1.030  -0.791
   80   2HB   CYS  11          1HB       CYS  11   5.886   0.347  -1.355
   81    H    ALA  12           H        ALA  12   6.408  -1.943   0.657
   82    HA   ALA  12           HA       ALA  12   9.202  -1.497   1.331
   83   1HB   ALA  12          1HB       ALA  12   7.340  -3.754   1.408
   84   2HB   ALA  12          2HB       ALA  12   8.731  -3.394   2.431
   85   3HB   ALA  12          3HB       ALA  12   8.964  -4.182   0.870
   86    H    LYS  13           H        LYS  13  10.573  -3.379  -0.013
   87    HA   LYS  13           HA       LYS  13  11.208  -2.239  -2.428
   88   1HB   LYS  13          2HB       LYS  13  12.385  -4.115  -1.045
   89   2HB   LYS  13          1HB       LYS  13  11.480  -5.200  -2.088
   90   1HG   LYS  13          2HG       LYS  13  12.584  -4.456  -4.014
   91   2HG   LYS  13          1HG       LYS  13  13.208  -3.019  -3.201
   92   1HD   LYS  13          2HD       LYS  13  14.623  -4.437  -1.789
   93   2HD   LYS  13          1HD       LYS  13  14.001  -5.871  -2.609
   94   1HE   LYS  13          2HE       LYS  13  14.853  -4.846  -4.759
   95   2HE   LYS  13          1HE       LYS  13  15.692  -3.662  -3.757
   96   1HZ   LYS  13          1HZ       LYS  13  16.054  -6.582  -3.411
   97   2HZ   LYS  13          2HZ       LYS  13  17.018  -5.332  -2.801
   98   3HZ   LYS  13          3HZ       LYS  13  17.015  -5.665  -4.459
   99    H    TYR  14           H        TYR  14   9.043  -5.015  -1.906
  100    HA   TYR  14           HA       TYR  14   7.169  -4.351  -3.808
  101   1HB   TYR  14          2HB       TYR  14   7.906  -6.211  -5.541
  102   2HB   TYR  14          1HB       TYR  14   8.478  -4.554  -5.686
  103    HD1  TYR  14           1HD      TYR  14   9.651  -7.176  -3.321
  104    HD2  TYR  14           2HD      TYR  14  10.550  -4.815  -6.743
  105    HE1  TYR  14           1HE      TYR  14  11.971  -7.984  -3.260
  106    HE2  TYR  14           2HE      TYR  14  12.875  -5.617  -6.692
  107    HH   TYR  14           HH       TYR  14  13.892  -8.213  -5.239
  108    H    GLY  15           H        GLY  15   5.731  -6.194  -4.412
  109   1HA   GLY  15          2HA       GLY  15   5.144  -8.526  -4.042
  110   2HA   GLY  15          1HA       GLY  15   6.024  -8.448  -2.524
  111    H    TYR  16           H        TYR  16   4.552  -8.815  -0.995
  112    HA   TYR  16           HA       TYR  16   1.968  -7.434  -1.160
  113   1HB   TYR  16          2HB       TYR  16   2.200  -9.993  -0.824
  114   2HB   TYR  16          1HB       TYR  16   2.638  -9.584   0.832
  115    HD1  TYR  16           1HD      TYR  16   0.913  -7.702   1.846
  116    HD2  TYR  16           2HD      TYR  16   0.011 -10.617  -1.118
  117    HE1  TYR  16           1HE      TYR  16  -1.469  -7.559   2.441
  118    HE2  TYR  16           2HE      TYR  16  -2.373 -10.484  -0.531
  119    HH   TYR  16           HH       TYR  16  -3.932  -9.007   0.526
  120    H    TYR  17           H        TYR  17   1.429  -5.867   0.211
  121    HA   TYR  17           HA       TYR  17   2.945  -5.538   2.696
  122   1HB   TYR  17          2HB       TYR  17   3.730  -4.033   0.696
  123   2HB   TYR  17          1HB       TYR  17   2.276  -3.112   1.062
  124    HD1  TYR  17           1HD      TYR  17   3.074  -1.114   1.964
  125    HD2  TYR  17           2HD      TYR  17   4.627  -4.803   3.406
  126    HE1  TYR  17           1HE      TYR  17   4.286   0.094   3.731
  127    HE2  TYR  17           2HE      TYR  17   5.841  -3.607   5.178
  128    HH   TYR  17           HH       TYR  17   5.187  -0.658   6.187
  129    H    GLN  18           H        GLN  18   1.335  -5.993   4.076
  130    HA   GLN  18           HA       GLN  18  -1.346  -5.728   3.861
  131   1HB   GLN  18          2HB       GLN  18   0.221  -6.527   5.837
  132   2HB   GLN  18          1HB       GLN  18  -0.162  -4.936   6.476
  133   1HG   GLN  18          2HG       GLN  18  -1.833  -6.140   7.427
  134   2HG   GLN  18          1HG       GLN  18  -2.625  -5.678   5.921
  135   1HE2  GLN  18          1HE2      GLN  18  -0.287  -8.187   6.840
  136   2HE2  GLN  18          2HE2      GLN  18  -1.186  -9.507   6.181
  137    H    GLU  19           H        GLU  19   0.906  -3.122   4.573
  138    HA   GLU  19           HA       GLU  19  -0.928  -1.191   5.432
  139   1HB   GLU  19          2HB       GLU  19   1.775  -1.077   4.152
  140   2HB   GLU  19          1HB       GLU  19   0.852   0.407   4.338
  141   1HG   GLU  19          2HG       GLU  19   0.622  -0.335   6.806
  142   2HG   GLU  19          1HG       GLU  19   1.989  -1.386   6.436
  143    H    CYS  20           H        CYS  20   0.448  -1.615   2.169
  144    HA   CYS  20           HA       CYS  20  -1.162   0.275   0.889
  145   1HB   CYS  20          2HB       CYS  20   0.919  -1.260   0.113
  146   2HB   CYS  20          1HB       CYS  20  -0.397  -2.128  -0.669
  147    H    GLN  21           H        GLN  21  -1.712  -3.123   1.604
  148    HA   GLN  21           HA       GLN  21  -3.966  -3.550   0.004
  149   1HB   GLN  21          2HB       GLN  21  -2.567  -4.932   2.091
  150   2HB   GLN  21          1HB       GLN  21  -4.294  -5.028   2.402
  151   1HG   GLN  21          2HG       GLN  21  -3.541  -5.558  -0.373
  152   2HG   GLN  21          1HG       GLN  21  -2.891  -6.705   0.793
  153   1HE2  GLN  21          1HE2      GLN  21  -4.825  -6.936   2.631
  154   2HE2  GLN  21          2HE2      GLN  21  -6.275  -7.557   1.928
  155    H    ASP  22           H        ASP  22  -3.849  -2.737   3.477
  156    HA   ASP  22           HA       ASP  22  -6.586  -2.425   3.860
  157   1HB   ASP  22          2HB       ASP  22  -4.372  -0.911   5.257
  158   2HB   ASP  22          1HB       ASP  22  -6.011  -1.143   5.857
  159    H    CYS  23           H        CYS  23  -4.197  -0.180   2.611
  160    HA   CYS  23           HA       CYS  23  -5.687   2.181   2.722
  161   1HB   CYS  23          2HB       CYS  23  -3.182   1.586   1.992
  162   2HB   CYS  23          1HB       CYS  23  -3.912   1.745   0.406
  163    H    CYS  24           H        CYS  24  -5.200   0.012  -0.050
  164    HA   CYS  24           HA       CYS  24  -6.969   1.268  -1.788
  165   1HB   CYS  24          2HB       CYS  24  -5.207  -0.582  -2.213
  166   2HB   CYS  24          1HB       CYS  24  -6.516  -1.696  -1.840
  167    H    LYS  25           H        LYS  25  -7.582  -1.804  -0.063
  168    HA   LYS  25           HA       LYS  25 -10.196  -2.190  -0.682
  169   1HB   LYS  25          2HB       LYS  25 -10.420  -3.502   1.316
  170   2HB   LYS  25          1HB       LYS  25  -8.792  -3.713   0.690
  171   1HG   LYS  25          2HG       LYS  25  -7.949  -2.131   2.354
  172   2HG   LYS  25          1HG       LYS  25  -9.584  -1.937   2.989
  173   1HD   LYS  25          2HD       LYS  25  -9.213  -4.678   2.965
  174   2HD   LYS  25          1HD       LYS  25  -7.641  -4.049   3.462
  175   1HE   LYS  25          2HE       LYS  25 -10.281  -3.326   4.728
  176   2HE   LYS  25          1HE       LYS  25  -9.138  -4.504   5.370
  177   1HZ   LYS  25          1HZ       LYS  25  -8.285  -1.734   4.829
  178   2HZ   LYS  25          2HZ       LYS  25  -7.616  -2.864   5.895
  179   3HZ   LYS  25          3HZ       LYS  25  -9.087  -2.117   6.270
  180    H    ASN  26           H        ASN  26  -9.018  -0.126   1.966
  181    HA   ASN  26           HA       ASN  26 -11.629   0.628   2.823
  182   1HB   ASN  26          2HB       ASN  26  -9.078   0.878   3.848
  183   2HB   ASN  26          1HB       ASN  26  -9.508   2.536   3.450
  184   1HD2  ASN  26          1HD2      ASN  26 -10.364  -0.275   5.334
  185   2HD2  ASN  26          2HD2      ASN  26 -11.363   0.553   6.475
  186    H    ALA  27           H        ALA  27  -9.470   1.743   0.367
  187    HA   ALA  27           HA       ALA  27 -10.554   4.363   0.075
  188   1HB   ALA  27          1HB       ALA  27  -8.572   2.706  -1.279
  189   2HB   ALA  27          2HB       ALA  27  -8.605   4.450  -1.018
  190   3HB   ALA  27          3HB       ALA  27  -9.481   3.746  -2.377
  191    H    GLY  28           H        GLY  28 -11.409   1.210  -1.120
  192   1HA   GLY  28          2HA       GLY  28 -13.899   1.193  -1.654
  193   2HA   GLY  28          1HA       GLY  28 -13.464   2.412  -2.838
  194    H    HIS  29           H        HIS  29 -11.442  -0.357  -2.107
  195    HA   HIS  29           HA       HIS  29 -12.308  -1.673  -4.573
  196   1HB   HIS  29          2HB       HIS  29  -9.387  -1.233  -3.965
  197   2HB   HIS  29          1HB       HIS  29 -10.097  -1.855  -5.449
  198    HD1  HIS  29           1HD      HIS  29 -11.835   0.064  -6.582
  199    HD2  HIS  29           2HD      HIS  29  -8.672   1.355  -4.217
  200    HE1  HIS  29           1HE      HIS  29 -11.467   2.471  -7.207
  201    HE2  HIS  29           2HE      HIS  29  -9.489   3.205  -5.830
  202    H    ASN  30           H        ASN  30  -9.988  -3.503  -4.421
  203    HA   ASN  30           HA       ASN  30 -10.961  -5.140  -2.190
  204   1HB   ASN  30          2HB       ASN  30 -10.635  -5.761  -4.865
  205   2HB   ASN  30          1HB       ASN  30  -9.205  -6.467  -4.116
  206   1HD2  ASN  30          1HD2      ASN  30  -9.398  -8.355  -3.116
  207   2HD2  ASN  30          2HD2      ASN  30 -10.888  -9.151  -2.760
  208    H    GLY  31           H        GLY  31  -7.887  -4.512  -3.915
  209   1HA   GLY  31          2HA       GLY  31  -6.492  -4.092  -1.444
  210   2HA   GLY  31          1HA       GLY  31  -6.117  -5.645  -2.176
  211    H    GLY  32           H        GLY  32  -3.925  -4.766  -2.266
  212   1HA   GLY  32          2HA       GLY  32  -3.458  -3.550  -4.858
  213   2HA   GLY  32          1HA       GLY  32  -2.933  -2.590  -3.484
  214    H    THR  33           H        THR  33  -0.981  -3.140  -5.109
  215    HA   THR  33           HA       THR  33   0.487  -5.325  -3.795
  216    HB   THR  33           HB       THR  33   0.028  -6.207  -5.935
  217    HG1  THR  33           1HG      THR  33   2.118  -6.601  -5.737
  218   1HG2  THR  33          1HG2      THR  33   0.364  -3.432  -6.875
  219   2HG2  THR  33          2HG2      THR  33  -0.763  -4.686  -7.396
  220   3HG2  THR  33          3HG2      THR  33   0.909  -4.715  -7.955
  221    H    CYS  34           H        CYS  34   2.878  -5.088  -4.022
  222    HA   CYS  34           HA       CYS  34   3.608  -2.259  -3.714
  223   1HB   CYS  34          2HB       CYS  34   3.982  -4.087  -1.883
  224   2HB   CYS  34          1HB       CYS  34   5.365  -4.531  -2.869
  225    H    MET  35           H        MET  35   5.029  -1.310  -5.056
  226    HA   MET  35           HA       MET  35   6.661  -2.998  -6.813
  227   1HB   MET  35          2HB       MET  35   4.578  -1.033  -7.600
  228   2HB   MET  35          1HB       MET  35   6.057  -1.055  -8.550
  229   1HG   MET  35          2HG       MET  35   5.192  -2.716  -9.722
  230   2HG   MET  35          1HG       MET  35   5.346  -3.729  -8.289
  231   1HE   MET  35          1HE       MET  35   3.353  -5.265  -9.267
  232   2HE   MET  35          2HE       MET  35   3.236  -4.190 -10.661
  233   3HE   MET  35          3HE       MET  35   1.787  -4.611  -9.749
  234    H    PHE  36           H        PHE  36   8.585  -2.456  -5.854
  235    HA   PHE  36           HA       PHE  36  10.381  -1.210  -5.209
  236   1HB   PHE  36          2HB       PHE  36  10.626  -1.040  -7.600
  237   2HB   PHE  36          1HB       PHE  36   9.472   0.281  -7.666
  238    HD1  PHE  36           1HD      PHE  36  12.155  -0.091  -5.172
  239    HD2  PHE  36           2HD      PHE  36  10.831   1.927  -8.672
  240    HE1  PHE  36           1HE      PHE  36  14.003   1.518  -4.935
  241    HE2  PHE  36           2HE      PHE  36  12.674   3.543  -8.444
  242    HZ   PHE  36           HZ       PHE  36  14.263   3.338  -6.574
  243    H    PHE  37           H        PHE  37   8.850  -0.600  -3.337
  244    HA   PHE  37           HA       PHE  37   8.225   0.936  -1.790
  245   1HB   PHE  37          2HB       PHE  37   9.896   2.911  -3.344
  246   2HB   PHE  37          1HB       PHE  37   9.512   2.942  -1.625
  247    HD1  PHE  37           1HD      PHE  37   9.984  -0.013  -1.106
  248    HD2  PHE  37           2HD      PHE  37  12.260   2.920  -3.181
  249    HE1  PHE  37           1HE      PHE  37  12.038  -1.273  -0.620
  250    HE2  PHE  37           2HE      PHE  37  14.322   1.663  -2.702
  251    HZ   PHE  37           HZ       PHE  37  14.210  -0.440  -1.420
  252    H    LYS  38           H        LYS  38   6.816   0.771  -4.523
  253    HA   LYS  38           HA       LYS  38   5.409   3.351  -4.330
  254   1HB   LYS  38          2HB       LYS  38   5.445   1.461  -6.689
  255   2HB   LYS  38          1HB       LYS  38   4.699   3.050  -6.629
  256   1HG   LYS  38          2HG       LYS  38   7.303   3.575  -5.932
  257   2HG   LYS  38          1HG       LYS  38   7.462   2.305  -7.146
  258   1HD   LYS  38          2HD       LYS  38   7.495   4.328  -8.351
  259   2HD   LYS  38          1HD       LYS  38   5.866   3.684  -8.570
  260   1HE   LYS  38          2HE       LYS  38   4.902   5.319  -7.310
  261   2HE   LYS  38          1HE       LYS  38   6.318   5.508  -6.276
  262   1HZ   LYS  38          1HZ       LYS  38   6.477   6.330  -9.093
  263   2HZ   LYS  38          2HZ       LYS  38   7.317   6.927  -7.753
  264   3HZ   LYS  38          3HZ       LYS  38   5.694   7.341  -7.984
  265    H    CYS  39           H        CYS  39   3.314   3.363  -3.793
  266    HA   CYS  39           HA       CYS  39   2.084   0.824  -3.099
  267   1HB   CYS  39          2HB       CYS  39   2.053   3.371  -1.959
  268   2HB   CYS  39          1HB       CYS  39   0.435   3.168  -2.622
  269    H    LYS  40           H        LYS  40   0.989  -0.214  -4.624
  270    HA   LYS  40           HA       LYS  40  -0.717   1.367  -6.436
  271   1HB   LYS  40          2HB       LYS  40   1.400  -0.077  -7.265
  272   2HB   LYS  40          1HB       LYS  40   0.168  -1.330  -7.295
  273   1HG   LYS  40          2HG       LYS  40   0.330  -0.319  -9.465
  274   2HG   LYS  40          1HG       LYS  40  -1.219   0.112  -8.738
  275   1HD   LYS  40          2HD       LYS  40   0.372   2.161  -7.901
  276   2HD   LYS  40          1HD       LYS  40   1.053   1.810  -9.490
  277   1HE   LYS  40          2HE       LYS  40  -1.842   1.825  -9.546
  278   2HE   LYS  40          1HE       LYS  40  -1.195   3.348  -8.936
  279   1HZ   LYS  40          1HZ       LYS  40  -1.348   3.568 -11.259
  280   2HZ   LYS  40          2HZ       LYS  40  -0.644   2.058 -11.544
  281   3HZ   LYS  40          3HZ       LYS  40   0.296   3.328 -10.941
  282    H    CYS  41           H        CYS  41  -2.609   0.128  -7.282
  283    HA   CYS  41           HA       CYS  41  -3.743  -1.499  -5.128
  284   1HB   CYS  41          2HB       CYS  41  -4.844   0.426  -7.101
  285   2HB   CYS  41          1HB       CYS  41  -5.873  -0.904  -6.618
  286    H    ALA  42           H        ALA  42  -5.781  -2.749  -6.381
  287    HA   ALA  42           HA       ALA  42  -4.383  -4.787  -7.901
  288   1HB   ALA  42          1HB       ALA  42  -7.288  -5.041  -7.460
  289   2HB   ALA  42          2HB       ALA  42  -6.284  -4.973  -6.012
  290   3HB   ALA  42          3HB       ALA  42  -5.995  -6.217  -7.227
  Start of MODEL   16
    1   1H    ASP   1          1HT       ASP   1  -9.427  16.736  -5.943
    2   2H    ASP   1          2HT       ASP   1 -10.795  17.417  -5.161
    3   3H    ASP   1          3HT       ASP   1 -11.007  16.312  -6.457
    4    HA   ASP   1           HA       ASP   1  -9.882  15.749  -3.798
    5   1HB   ASP   1          2HB       ASP   1 -11.892  14.346  -3.583
    6   2HB   ASP   1          1HB       ASP   1 -12.319  16.030  -3.869
    7    H    ARG   2           H        ARG   2  -8.593  14.026  -3.667
    8    HA   ARG   2           HA       ARG   2  -8.844  11.673  -5.164
    9   1HB   ARG   2          2HB       ARG   2  -8.079  13.093  -7.021
   10   2HB   ARG   2          1HB       ARG   2  -6.626  13.491  -6.117
   11   1HG   ARG   2          2HG       ARG   2  -5.606  11.638  -6.788
   12   2HG   ARG   2          1HG       ARG   2  -6.980  10.634  -6.323
   13   1HD   ARG   2          2HD       ARG   2  -8.007  10.868  -8.409
   14   2HD   ARG   2          1HD       ARG   2  -7.034  12.277  -8.830
   15    HE   ARG   2           HE       ARG   2  -5.503   9.870  -8.469
   16   1HH1  ARG   2          1HH1      ARG   2  -7.343  11.784 -10.734
   17   2HH1  ARG   2          2HH1      ARG   2  -6.551  11.126 -12.126
   18   1HH2  ARG   2          1HH2      ARG   2  -4.457   9.006 -10.298
   19   2HH2  ARG   2          2HH2      ARG   2  -4.911   9.549 -11.879
   20    H    ASP   3           H        ASP   3  -8.320  10.417  -3.517
   21    HA   ASP   3           HA       ASP   3  -6.403  11.065  -1.535
   22   1HB   ASP   3          2HB       ASP   3  -8.432   9.222  -1.757
   23   2HB   ASP   3          1HB       ASP   3  -6.995   8.207  -1.839
   24    H    SER   4           H        SER   4  -6.306   8.237  -3.701
   25    HA   SER   4           HA       SER   4  -4.579   7.155  -4.710
   26   1HB   SER   4          2HB       SER   4  -3.820  10.020  -4.868
   27   2HB   SER   4          1HB       SER   4  -2.536   8.849  -5.176
   28    HG   SER   4           HG       SER   4  -5.058   8.690  -6.446
   29    H    CYS   5           H        CYS   5  -4.036   5.790  -3.026
   30    HA   CYS   5           HA       CYS   5  -2.404   6.562  -0.836
   31   1HB   CYS   5          2HB       CYS   5  -3.152   3.863  -1.961
   32   2HB   CYS   5          1HB       CYS   5  -2.162   4.056  -0.517
   33    H    VAL   6           H        VAL   6  -1.659   5.948  -4.080
   34    HA   VAL   6           HA       VAL   6   0.778   4.647  -4.012
   35    HB   VAL   6           HB       VAL   6   0.202   6.952  -5.834
   36   1HG1  VAL   6          1HG1      VAL   6   2.147   4.745  -5.768
   37   2HG1  VAL   6          2HG1      VAL   6   2.286   6.361  -6.461
   38   3HG1  VAL   6          3HG1      VAL   6   1.429   5.095  -7.340
   39   1HG2  VAL   6          1HG2      VAL   6  -1.151   4.375  -5.606
   40   2HG2  VAL   6          2HG2      VAL   6  -0.545   4.722  -7.226
   41   3HG2  VAL   6          3HG2      VAL   6  -1.651   5.847  -6.438
   42    H    ASP   7           H        ASP   7   0.141   8.124  -3.686
   43    HA   ASP   7           HA       ASP   7   2.918   8.479  -2.782
   44   1HB   ASP   7          2HB       ASP   7   1.672   9.839  -4.755
   45   2HB   ASP   7          1HB       ASP   7   1.263  10.862  -3.381
   46    H    LYS   8           H        LYS   8   0.728   7.462  -1.135
   47    HA   LYS   8           HA       LYS   8   0.785   9.540   0.944
   48   1HB   LYS   8          2HB       LYS   8  -1.481   9.133  -0.320
   49   2HB   LYS   8          1HB       LYS   8  -1.573   7.710   0.708
   50   1HG   LYS   8          2HG       LYS   8  -1.123   9.376   2.638
   51   2HG   LYS   8          1HG       LYS   8  -1.631  10.597   1.470
   52   1HD   LYS   8          2HD       LYS   8  -3.584  10.010   2.651
   53   2HD   LYS   8          1HD       LYS   8  -3.701   9.169   1.104
   54   1HE   LYS   8          2HE       LYS   8  -4.323   7.566   2.693
   55   2HE   LYS   8          1HE       LYS   8  -2.647   7.178   2.303
   56   1HZ   LYS   8          1HZ       LYS   8  -2.175   8.720   4.329
   57   2HZ   LYS   8          2HZ       LYS   8  -2.609   7.104   4.574
   58   3HZ   LYS   8          3HZ       LYS   8  -3.763   8.326   4.762
   59    H    SER   9           H        SER   9   0.135   6.099   0.310
   60    HA   SER   9           HA       SER   9   1.163   5.462   2.986
   61   1HB   SER   9          2HB       SER   9  -1.126   4.617   2.108
   62   2HB   SER   9          1HB       SER   9  -0.170   3.484   1.152
   63    HG   SER   9           HG       SER   9  -0.722   2.552   3.131
   64    H    ARG  10           H        ARG  10   3.287   5.094   2.991
   65    HA   ARG  10           HA       ARG  10   4.882   4.474   0.815
   66   1HB   ARG  10          2HB       ARG  10   5.303   5.022   3.477
   67   2HB   ARG  10          1HB       ARG  10   5.849   3.355   3.344
   68   1HG   ARG  10          2HG       ARG  10   7.402   3.951   1.611
   69   2HG   ARG  10          1HG       ARG  10   6.790   5.604   1.578
   70   1HD   ARG  10          2HD       ARG  10   7.427   5.546   4.125
   71   2HD   ARG  10          1HD       ARG  10   8.501   4.247   3.608
   72    HE   ARG  10           HE       ARG  10   9.072   6.193   1.848
   73   1HH1  ARG  10          1HH1      ARG  10   8.846   6.194   5.332
   74   2HH1  ARG  10          2HH1      ARG  10  10.012   7.459   5.530
   75   1HH2  ARG  10          1HH2      ARG  10  10.608   7.851   2.109
   76   2HH2  ARG  10          2HH2      ARG  10  11.013   8.400   3.701
   77    H    CYS  11           H        CYS  11   6.392   2.379   1.031
   78    HA   CYS  11           HA       CYS  11   4.985  -0.051   1.625
   79   1HB   CYS  11          2HB       CYS  11   4.208   0.881  -0.719
   80   2HB   CYS  11          1HB       CYS  11   5.744   0.216  -1.257
   81    H    ALA  12           H        ALA  12   6.335  -1.985   0.746
   82    HA   ALA  12           HA       ALA  12   9.097  -1.459   1.484
   83   1HB   ALA  12          1HB       ALA  12   8.997  -3.485   2.389
   84   2HB   ALA  12          2HB       ALA  12   8.609  -4.206   0.826
   85   3HB   ALA  12          3HB       ALA  12   7.317  -3.603   1.865
   86    H    LYS  13           H        LYS  13  10.636  -3.149   0.185
   87    HA   LYS  13           HA       LYS  13  11.252  -2.018  -2.217
   88   1HB   LYS  13          2HB       LYS  13  12.489  -3.821  -0.800
   89   2HB   LYS  13          1HB       LYS  13  11.668  -4.960  -1.854
   90   1HG   LYS  13          2HG       LYS  13  12.741  -4.076  -3.783
   91   2HG   LYS  13          1HG       LYS  13  13.386  -2.712  -2.866
   92   1HD   LYS  13          2HD       LYS  13  14.396  -4.753  -1.433
   93   2HD   LYS  13          1HD       LYS  13  14.322  -5.510  -3.025
   94   1HE   LYS  13          2HE       LYS  13  16.325  -4.545  -3.331
   95   2HE   LYS  13          1HE       LYS  13  15.382  -3.088  -3.641
   96   1HZ   LYS  13          1HZ       LYS  13  15.705  -2.367  -1.419
   97   2HZ   LYS  13          2HZ       LYS  13  17.225  -2.811  -2.015
   98   3HZ   LYS  13          3HZ       LYS  13  16.397  -3.841  -0.957
   99    H    TYR  14           H        TYR  14   9.150  -4.838  -1.725
  100    HA   TYR  14           HA       TYR  14   7.345  -4.279  -3.717
  101   1HB   TYR  14          2HB       TYR  14   8.184  -6.151  -5.378
  102   2HB   TYR  14          1HB       TYR  14   8.739  -4.490  -5.535
  103    HD1  TYR  14           1HD      TYR  14   9.823  -7.170  -3.174
  104    HD2  TYR  14           2HD      TYR  14  10.886  -4.621  -6.408
  105    HE1  TYR  14           1HE      TYR  14  12.150  -7.943  -3.008
  106    HE2  TYR  14           2HE      TYR  14  13.217  -5.387  -6.253
  107    HH   TYR  14           HH       TYR  14  14.480  -7.286  -5.413
  108    H    GLY  15           H        GLY  15   5.938  -6.126  -4.281
  109   1HA   GLY  15          2HA       GLY  15   5.366  -8.457  -3.902
  110   2HA   GLY  15          1HA       GLY  15   6.247  -8.369  -2.385
  111    H    TYR  16           H        TYR  16   4.729  -8.826  -0.910
  112    HA   TYR  16           HA       TYR  16   2.136  -7.478  -1.061
  113   1HB   TYR  16          2HB       TYR  16   2.394 -10.001  -0.680
  114   2HB   TYR  16          1HB       TYR  16   2.935  -9.583   0.942
  115    HD1  TYR  16           1HD      TYR  16   1.285  -7.828   2.158
  116    HD2  TYR  16           2HD      TYR  16   0.173 -10.545  -0.921
  117    HE1  TYR  16           1HE      TYR  16  -1.053  -7.716   2.911
  118    HE2  TYR  16           2HE      TYR  16  -2.168 -10.441  -0.177
  119    HH   TYR  16           HH       TYR  16  -3.219  -8.186   2.291
  120    H    TYR  17           H        TYR  17   1.452  -6.007   0.398
  121    HA   TYR  17           HA       TYR  17   3.025  -5.528   2.811
  122   1HB   TYR  17          2HB       TYR  17   3.682  -4.035   0.720
  123   2HB   TYR  17          1HB       TYR  17   2.255  -3.127   1.209
  124    HD1  TYR  17           1HD      TYR  17   2.864  -1.201   2.318
  125    HD2  TYR  17           2HD      TYR  17   5.026  -4.780   3.103
  126    HE1  TYR  17           1HE      TYR  17   4.198  -0.016   4.011
  127    HE2  TYR  17           2HE      TYR  17   6.363  -3.606   4.800
  128    HH   TYR  17           HH       TYR  17   7.000  -0.947   5.128
  129    H    GLN  18           H        GLN  18   1.550  -5.747   4.358
  130    HA   GLN  18           HA       GLN  18  -1.186  -5.614   4.139
  131   1HB   GLN  18          2HB       GLN  18   0.477  -6.258   6.134
  132   2HB   GLN  18          1HB       GLN  18  -0.012  -4.666   6.698
  133   1HG   GLN  18          2HG       GLN  18  -2.378  -5.386   6.504
  134   2HG   GLN  18          1HG       GLN  18  -1.805  -7.005   6.102
  135   1HE2  GLN  18          1HE2      GLN  18  -3.449  -6.362   8.300
  136   2HE2  GLN  18          2HE2      GLN  18  -2.573  -6.722   9.746
  137    H    GLU  19           H        GLU  19   1.081  -2.989   4.550
  138    HA   GLU  19           HA       GLU  19  -0.753  -1.004   5.363
  139   1HB   GLU  19          2HB       GLU  19   2.020  -1.151   4.671
  140   2HB   GLU  19          1HB       GLU  19   1.300   0.206   3.817
  141   1HG   GLU  19          2HG       GLU  19   0.564   1.193   5.857
  142   2HG   GLU  19          1HG       GLU  19   1.014  -0.243   6.776
  143    H    CYS  20           H        CYS  20   0.577  -1.766   2.147
  144    HA   CYS  20           HA       CYS  20  -0.905   0.129   0.717
  145   1HB   CYS  20          2HB       CYS  20   1.081  -1.281  -0.073
  146   2HB   CYS  20          1HB       CYS  20  -0.088  -2.556  -0.383
  147    H    GLN  21           H        GLN  21  -1.544  -3.318   1.259
  148    HA   GLN  21           HA       GLN  21  -3.934  -3.567  -0.110
  149   1HB   GLN  21          2HB       GLN  21  -2.677  -4.966   2.189
  150   2HB   GLN  21          1HB       GLN  21  -4.388  -5.259   1.921
  151   1HG   GLN  21          2HG       GLN  21  -2.328  -5.572  -0.240
  152   2HG   GLN  21          1HG       GLN  21  -2.777  -6.879   0.854
  153   1HE2  GLN  21          1HE2      GLN  21  -5.460  -6.590   1.077
  154   2HE2  GLN  21          2HE2      GLN  21  -6.219  -6.829  -0.456
  155    H    ASP  22           H        ASP  22  -3.497  -2.770   3.332
  156    HA   ASP  22           HA       ASP  22  -6.163  -2.474   4.028
  157   1HB   ASP  22          2HB       ASP  22  -3.659  -1.183   5.088
  158   2HB   ASP  22          1HB       ASP  22  -5.240  -0.867   5.798
  159    H    CYS  23           H        CYS  23  -3.943  -0.141   2.603
  160    HA   CYS  23           HA       CYS  23  -5.609   2.114   2.797
  161   1HB   CYS  23          2HB       CYS  23  -3.054   1.733   2.076
  162   2HB   CYS  23          1HB       CYS  23  -3.785   1.906   0.493
  163    H    CYS  24           H        CYS  24  -4.938   0.031   0.005
  164    HA   CYS  24           HA       CYS  24  -6.590   1.115  -1.866
  165   1HB   CYS  24          2HB       CYS  24  -5.016  -0.888  -2.054
  166   2HB   CYS  24          1HB       CYS  24  -6.362  -1.865  -1.485
  167    H    LYS  25           H        LYS  25  -7.579  -1.618   0.223
  168    HA   LYS  25           HA       LYS  25 -10.254  -1.660  -0.493
  169   1HB   LYS  25          2HB       LYS  25  -9.242  -2.245   2.287
  170   2HB   LYS  25          1HB       LYS  25 -10.663  -2.919   1.502
  171   1HG   LYS  25          2HG       LYS  25  -9.088  -3.945  -0.185
  172   2HG   LYS  25          1HG       LYS  25  -7.775  -3.479   0.897
  173   1HD   LYS  25          2HD       LYS  25 -10.080  -4.986   2.028
  174   2HD   LYS  25          1HD       LYS  25  -8.903  -5.861   1.046
  175   1HE   LYS  25          2HE       LYS  25  -8.466  -5.829   3.534
  176   2HE   LYS  25          1HE       LYS  25  -7.130  -5.312   2.507
  177   1HZ   LYS  25          1HZ       LYS  25  -7.623  -3.033   2.991
  178   2HZ   LYS  25          2HZ       LYS  25  -7.489  -3.870   4.456
  179   3HZ   LYS  25          3HZ       LYS  25  -9.015  -3.457   3.856
  180    H    ASN  26           H        ASN  26  -8.689   0.219   2.081
  181    HA   ASN  26           HA       ASN  26 -11.000   1.336   3.191
  182   1HB   ASN  26          2HB       ASN  26  -8.311   1.498   3.709
  183   2HB   ASN  26          1HB       ASN  26  -8.671   3.123   3.144
  184   1HD2  ASN  26          1HD2      ASN  26  -8.902   0.907   5.707
  185   2HD2  ASN  26          2HD2      ASN  26  -9.793   1.904   6.802
  186    H    ALA  27           H        ALA  27  -9.251   2.105   0.288
  187    HA   ALA  27           HA       ALA  27 -10.447   4.698  -0.065
  188   1HB   ALA  27          1HB       ALA  27  -8.236   4.148  -0.996
  189   2HB   ALA  27          2HB       ALA  27  -9.366   4.691  -2.237
  190   3HB   ALA  27          3HB       ALA  27  -8.996   2.975  -2.071
  191    H    GLY  28           H        GLY  28 -11.116   1.419  -1.060
  192   1HA   GLY  28          2HA       GLY  28 -13.619   1.121  -1.372
  193   2HA   GLY  28          1HA       GLY  28 -13.436   2.368  -2.593
  194    H    HIS  29           H        HIS  29 -11.197  -0.266  -1.933
  195    HA   HIS  29           HA       HIS  29 -11.927  -1.483  -4.504
  196   1HB   HIS  29          2HB       HIS  29  -9.231  -0.613  -3.515
  197   2HB   HIS  29          1HB       HIS  29  -9.358  -1.938  -4.664
  198    HD1  HIS  29           1HD      HIS  29 -11.093  -1.131  -6.802
  199    HD2  HIS  29           2HD      HIS  29  -8.799   1.703  -4.808
  200    HE1  HIS  29           1HE      HIS  29 -10.931   0.828  -8.371
  201    HE2  HIS  29           2HE      HIS  29  -9.468   2.496  -7.177
  202    H    ASN  30           H        ASN  30  -9.760  -3.458  -4.213
  203    HA   ASN  30           HA       ASN  30 -10.846  -5.009  -1.960
  204   1HB   ASN  30          2HB       ASN  30 -10.407  -5.734  -4.805
  205   2HB   ASN  30          1HB       ASN  30 -10.010  -6.962  -3.608
  206   1HD2  ASN  30          1HD2      ASN  30 -11.634  -7.872  -2.379
  207   2HD2  ASN  30          2HD2      ASN  30 -13.308  -7.684  -2.764
  208    H    GLY  31           H        GLY  31  -8.002  -4.331  -3.959
  209   1HA   GLY  31          2HA       GLY  31  -6.229  -4.530  -1.782
  210   2HA   GLY  31          1HA       GLY  31  -6.183  -6.025  -2.707
  211    H    GLY  32           H        GLY  32  -3.885  -4.996  -2.741
  212   1HA   GLY  32          2HA       GLY  32  -3.572  -3.899  -5.416
  213   2HA   GLY  32          1HA       GLY  32  -2.978  -2.894  -4.103
  214    H    THR  33           H        THR  33  -0.900  -3.123  -5.186
  215    HA   THR  33           HA       THR  33   0.527  -5.451  -4.159
  216    HB   THR  33           HB       THR  33   0.098  -6.195  -6.371
  217    HG1  THR  33           1HG      THR  33   2.650  -4.973  -6.484
  218   1HG2  THR  33          1HG2      THR  33   1.223  -4.437  -8.160
  219   2HG2  THR  33          2HG2      THR  33   0.304  -3.392  -7.075
  220   3HG2  THR  33          3HG2      THR  33  -0.500  -4.720  -7.914
  221    H    CYS  34           H        CYS  34   2.823  -5.144  -4.019
  222    HA   CYS  34           HA       CYS  34   3.523  -2.322  -3.673
  223   1HB   CYS  34          2HB       CYS  34   3.817  -4.157  -1.861
  224   2HB   CYS  34          1HB       CYS  34   5.223  -4.641  -2.800
  225    H    MET  35           H        MET  35   4.916  -1.309  -4.979
  226    HA   MET  35           HA       MET  35   6.726  -2.904  -6.646
  227   1HB   MET  35          2HB       MET  35   4.581  -1.052  -7.535
  228   2HB   MET  35          1HB       MET  35   6.103  -0.998  -8.415
  229   1HG   MET  35          2HG       MET  35   4.982  -3.680  -7.936
  230   2HG   MET  35          1HG       MET  35   4.074  -2.640  -9.032
  231   1HE   MET  35          1HE       MET  35   6.456  -1.548 -11.598
  232   2HE   MET  35          2HE       MET  35   4.885  -1.444 -10.803
  233   3HE   MET  35          3HE       MET  35   5.183  -2.695 -12.011
  234    H    PHE  36           H        PHE  36   8.578  -2.263  -5.631
  235    HA   PHE  36           HA       PHE  36  10.284  -0.943  -4.921
  236   1HB   PHE  36          2HB       PHE  36  10.548  -0.699  -7.310
  237   2HB   PHE  36          1HB       PHE  36   9.363   0.594  -7.343
  238    HD1  PHE  36           1HD      PHE  36  12.628  -0.304  -5.858
  239    HD2  PHE  36           2HD      PHE  36  10.072   2.803  -7.219
  240    HE1  PHE  36           1HE      PHE  36  14.444   1.324  -5.521
  241    HE2  PHE  36           2HE      PHE  36  11.877   4.443  -6.886
  242    HZ   PHE  36           HZ       PHE  36  14.069   3.703  -6.037
  243    H    PHE  37           H        PHE  37   8.665  -0.478  -3.079
  244    HA   PHE  37           HA       PHE  37   7.966   0.968  -1.483
  245   1HB   PHE  37          2HB       PHE  37   9.498   3.098  -2.971
  246   2HB   PHE  37          1HB       PHE  37   9.111   3.049  -1.253
  247    HD1  PHE  37           1HD      PHE  37   9.782   0.128  -0.805
  248    HD2  PHE  37           2HD      PHE  37  11.852   3.251  -2.819
  249    HE1  PHE  37           1HE      PHE  37  11.916  -1.004  -0.352
  250    HE2  PHE  37           2HE      PHE  37  13.994   2.123  -2.372
  251    HZ   PHE  37           HZ       PHE  37  14.025  -0.012  -1.139
  252    H    LYS  38           H        LYS  38   6.646   0.896  -4.335
  253    HA   LYS  38           HA       LYS  38   5.016   3.311  -3.952
  254   1HB   LYS  38          2HB       LYS  38   6.229   2.226  -6.281
  255   2HB   LYS  38          1HB       LYS  38   4.489   2.070  -6.473
  256   1HG   LYS  38          2HG       LYS  38   4.156   4.378  -6.291
  257   2HG   LYS  38          1HG       LYS  38   5.772   4.646  -5.637
  258   1HD   LYS  38          2HD       LYS  38   6.525   3.621  -7.934
  259   2HD   LYS  38          1HD       LYS  38   4.918   4.135  -8.449
  260   1HE   LYS  38          2HE       LYS  38   5.835   6.339  -7.108
  261   2HE   LYS  38          1HE       LYS  38   7.306   5.721  -7.859
  262   1HZ   LYS  38          1HZ       LYS  38   6.413   5.961  -9.978
  263   2HZ   LYS  38          2HZ       LYS  38   5.893   7.358  -9.178
  264   3HZ   LYS  38          3HZ       LYS  38   4.821   6.071  -9.418
  265    H    CYS  39           H        CYS  39   2.853   3.119  -3.654
  266    HA   CYS  39           HA       CYS  39   1.833   0.392  -3.300
  267   1HB   CYS  39          2HB       CYS  39   1.729   1.778  -1.309
  268   2HB   CYS  39          1HB       CYS  39   0.858   3.029  -2.187
  269    H    LYS  40           H        LYS  40   0.704  -0.375  -4.945
  270    HA   LYS  40           HA       LYS  40  -1.104   1.463  -6.380
  271   1HB   LYS  40          2HB       LYS  40   0.949   0.362  -7.595
  272   2HB   LYS  40          1HB       LYS  40  -0.086  -1.058  -7.636
  273   1HG   LYS  40          2HG       LYS  40  -1.744   0.102  -8.906
  274   2HG   LYS  40          1HG       LYS  40  -0.890   1.634  -8.712
  275   1HD   LYS  40          2HD       LYS  40   1.076   0.392  -9.863
  276   2HD   LYS  40          1HD       LYS  40  -0.173  -0.733 -10.397
  277   1HE   LYS  40          2HE       LYS  40  -0.552   2.205 -10.783
  278   2HE   LYS  40          1HE       LYS  40   0.481   1.303 -11.891
  279   1HZ   LYS  40          1HZ       LYS  40  -2.126   0.141 -11.346
  280   2HZ   LYS  40          2HZ       LYS  40  -1.269   0.246 -12.801
  281   3HZ   LYS  40          3HZ       LYS  40  -2.135   1.582 -12.231
  282    H    CYS  41           H        CYS  41  -3.056   0.404  -7.289
  283    HA   CYS  41           HA       CYS  41  -4.058  -1.600  -5.408
  284   1HB   CYS  41          2HB       CYS  41  -5.291   0.587  -7.002
  285   2HB   CYS  41          1HB       CYS  41  -6.269  -0.816  -6.648
  286    H    ALA  42           H        ALA  42  -6.114  -2.699  -6.699
  287    HA   ALA  42           HA       ALA  42  -4.789  -4.360  -8.690
  288   1HB   ALA  42          1HB       ALA  42  -7.605  -4.861  -7.906
  289   2HB   ALA  42          2HB       ALA  42  -6.363  -5.070  -6.672
  290   3HB   ALA  42          3HB       ALA  42  -6.283  -5.996  -8.172
  Start of MODEL   17
    1   1H    ASP   1          1HT       ASP   1  -8.017  17.064  -3.064
    2   2H    ASP   1          2HT       ASP   1  -8.523  16.127  -1.718
    3   3H    ASP   1          3HT       ASP   1  -9.575  17.304  -2.391
    4    HA   ASP   1           HA       ASP   1 -10.174  15.062  -3.000
    5   1HB   ASP   1          2HB       ASP   1 -10.329  17.267  -4.444
    6   2HB   ASP   1          1HB       ASP   1  -9.170  16.426  -5.470
    7    H    ARG   2           H        ARG   2  -9.703  13.364  -4.681
    8    HA   ARG   2           HA       ARG   2  -8.415  11.632  -5.377
    9   1HB   ARG   2          2HB       ARG   2  -6.055  13.441  -5.667
   10   2HB   ARG   2          1HB       ARG   2  -6.613  12.153  -6.722
   11   1HG   ARG   2          2HG       ARG   2  -8.579  13.641  -7.285
   12   2HG   ARG   2          1HG       ARG   2  -7.707  14.936  -6.463
   13   1HD   ARG   2          2HD       ARG   2  -7.202  15.125  -8.774
   14   2HD   ARG   2          1HD       ARG   2  -5.769  14.462  -7.990
   15    HE   ARG   2           HE       ARG   2  -7.542  12.464  -9.058
   16   1HH1  ARG   2          1HH1      ARG   2  -4.871  14.596  -9.763
   17   2HH1  ARG   2          2HH1      ARG   2  -4.291  13.637 -11.083
   18   1HH2  ARG   2          1HH2      ARG   2  -6.782  11.202 -10.793
   19   2HH2  ARG   2          2HH2      ARG   2  -5.376  11.711 -11.668
   20    H    ASP   3           H        ASP   3  -8.069  10.272  -3.732
   21    HA   ASP   3           HA       ASP   3  -6.404  10.911  -1.499
   22   1HB   ASP   3          2HB       ASP   3  -6.724   8.114  -1.553
   23   2HB   ASP   3          1HB       ASP   3  -7.622   9.272  -0.584
   24    H    SER   4           H        SER   4  -6.087   8.186  -3.777
   25    HA   SER   4           HA       SER   4  -4.262   7.131  -4.632
   26   1HB   SER   4          2HB       SER   4  -3.543  10.013  -4.672
   27   2HB   SER   4          1HB       SER   4  -2.229   8.865  -4.921
   28    HG   SER   4           HG       SER   4  -2.952   8.956  -6.910
   29    H    CYS   5           H        CYS   5  -3.716   5.709  -3.032
   30    HA   CYS   5           HA       CYS   5  -2.289   6.487  -0.682
   31   1HB   CYS   5          2HB       CYS   5  -2.931   3.799  -1.895
   32   2HB   CYS   5          1HB       CYS   5  -2.026   3.976  -0.395
   33    H    VAL   6           H        VAL   6  -1.351   5.795  -3.892
   34    HA   VAL   6           HA       VAL   6   1.124   4.593  -3.627
   35    HB   VAL   6           HB       VAL   6  -0.152   5.266  -5.758
   36   1HG1  VAL   6          1HG1      VAL   6  -0.226   7.670  -5.355
   37   2HG1  VAL   6          2HG1      VAL   6   0.601   7.296  -6.868
   38   3HG1  VAL   6          3HG1      VAL   6   1.535   7.741  -5.440
   39   1HG2  VAL   6          1HG2      VAL   6   2.346   4.351  -5.333
   40   2HG2  VAL   6          2HG2      VAL   6   2.697   5.830  -6.228
   41   3HG2  VAL   6          3HG2      VAL   6   1.650   4.599  -6.934
   42    H    ASP   7           H        ASP   7   0.332   8.037  -3.477
   43    HA   ASP   7           HA       ASP   7   3.072   8.661  -2.671
   44   1HB   ASP   7          2HB       ASP   7   1.412   9.995  -4.326
   45   2HB   ASP   7          1HB       ASP   7   1.039  10.813  -2.812
   46    H    LYS   8           H        LYS   8  -0.161   8.477  -1.390
   47    HA   LYS   8           HA       LYS   8   0.367   9.916   1.019
   48   1HB   LYS   8          2HB       LYS   8  -1.904   9.282  -0.178
   49   2HB   LYS   8          1HB       LYS   8  -1.796   7.864   0.855
   50   1HG   LYS   8          2HG       LYS   8  -2.392   9.007   2.671
   51   2HG   LYS   8          1HG       LYS   8  -1.309  10.348   2.290
   52   1HD   LYS   8          2HD       LYS   8  -3.303  11.425   2.057
   53   2HD   LYS   8          1HD       LYS   8  -3.144  10.790   0.419
   54   1HE   LYS   8          2HE       LYS   8  -5.204   9.970   0.777
   55   2HE   LYS   8          1HE       LYS   8  -4.355   8.709   1.671
   56   1HZ   LYS   8          1HZ       LYS   8  -4.992  11.119   3.164
   57   2HZ   LYS   8          2HZ       LYS   8  -5.076   9.498   3.637
   58   3HZ   LYS   8          3HZ       LYS   8  -6.316  10.171   2.704
   59    H    SER   9           H        SER   9  -0.128   6.443   0.368
   60    HA   SER   9           HA       SER   9   1.110   5.809   2.938
   61   1HB   SER   9          2HB       SER   9  -0.990   4.677   2.444
   62   2HB   SER   9          1HB       SER   9  -0.327   4.051   0.934
   63    HG   SER   9           HG       SER   9  -0.276   2.840   3.194
   64    H    ARG  10           H        ARG  10   2.945   4.551   3.156
   65    HA   ARG  10           HA       ARG  10   4.693   4.514   0.829
   66   1HB   ARG  10          2HB       ARG  10   5.435   5.443   3.038
   67   2HB   ARG  10          1HB       ARG  10   5.324   3.816   3.699
   68   1HG   ARG  10          2HG       ARG  10   7.175   3.092   2.608
   69   2HG   ARG  10          1HG       ARG  10   6.968   4.216   1.264
   70   1HD   ARG  10          2HD       ARG  10   7.714   5.122   4.033
   71   2HD   ARG  10          1HD       ARG  10   8.919   4.652   2.835
   72    HE   ARG  10           HE       ARG  10   7.051   6.631   1.901
   73   1HH1  ARG  10          1HH1      ARG  10  10.072   6.098   3.565
   74   2HH1  ARG  10          2HH1      ARG  10  10.692   7.673   3.204
   75   1HH2  ARG  10          1HH2      ARG  10   7.867   8.702   1.421
   76   2HH2  ARG  10          2HH2      ARG  10   9.441   9.152   1.988
   77    H    CYS  11           H        CYS  11   6.148   2.573   0.591
   78    HA   CYS  11           HA       CYS  11   4.924   0.060   1.419
   79   1HB   CYS  11          2HB       CYS  11   4.128   0.939  -0.942
   80   2HB   CYS  11          1HB       CYS  11   5.684   0.304  -1.460
   81    H    ALA  12           H        ALA  12   6.324  -1.833   0.698
   82    HA   ALA  12           HA       ALA  12   9.082  -1.181   1.344
   83   1HB   ALA  12          1HB       ALA  12   8.980  -3.909   1.044
   84   2HB   ALA  12          2HB       ALA  12   7.352  -3.516   1.598
   85   3HB   ALA  12          3HB       ALA  12   8.751  -3.032   2.557
   86    H    LYS  13           H        LYS  13  10.547  -3.101   0.134
   87    HA   LYS  13           HA       LYS  13  11.186  -2.084  -2.327
   88   1HB   LYS  13          2HB       LYS  13  12.381  -3.854  -0.823
   89   2HB   LYS  13          1HB       LYS  13  11.530  -5.013  -1.830
   90   1HG   LYS  13          2HG       LYS  13  12.689  -4.398  -3.744
   91   2HG   LYS  13          1HG       LYS  13  13.173  -2.843  -3.065
   92   1HD   LYS  13          2HD       LYS  13  14.796  -3.826  -1.684
   93   2HD   LYS  13          1HD       LYS  13  14.110  -5.440  -1.882
   94   1HE   LYS  13          2HE       LYS  13  15.008  -5.702  -3.997
   95   2HE   LYS  13          1HE       LYS  13  15.154  -3.965  -4.262
   96   1HZ   LYS  13          1HZ       LYS  13  16.788  -5.466  -2.292
   97   2HZ   LYS  13          2HZ       LYS  13  17.006  -3.869  -2.801
   98   3HZ   LYS  13          3HZ       LYS  13  17.293  -5.143  -3.875
   99    H    TYR  14           H        TYR  14   9.093  -4.902  -1.711
  100    HA   TYR  14           HA       TYR  14   7.267  -4.356  -3.717
  101   1HB   TYR  14          2HB       TYR  14   8.037  -6.309  -5.294
  102   2HB   TYR  14          1HB       TYR  14   8.696  -4.691  -5.499
  103    HD1  TYR  14           1HD      TYR  14   9.573  -7.369  -3.047
  104    HD2  TYR  14           2HD      TYR  14  10.849  -4.961  -6.313
  105    HE1  TYR  14           1HE      TYR  14  11.845  -8.274  -2.817
  106    HE2  TYR  14           2HE      TYR  14  13.127  -5.861  -6.093
  107    HH   TYR  14           HH       TYR  14  14.087  -8.204  -5.060
  108    H    GLY  15           H        GLY  15   5.847  -6.232  -4.239
  109   1HA   GLY  15          2HA       GLY  15   5.167  -8.491  -3.735
  110   2HA   GLY  15          1HA       GLY  15   6.070  -8.381  -2.233
  111    H    TYR  16           H        TYR  16   4.177  -9.125  -1.144
  112    HA   TYR  16           HA       TYR  16   1.809  -7.476  -1.168
  113   1HB   TYR  16          2HB       TYR  16   1.441  -9.820  -0.964
  114   2HB   TYR  16          1HB       TYR  16   2.598  -9.960   0.351
  115    HD1  TYR  16           1HD      TYR  16   0.202  -7.189   0.313
  116    HD2  TYR  16           2HD      TYR  16   0.971 -11.120   1.747
  117    HE1  TYR  16           1HE      TYR  16  -1.615  -6.941   1.953
  118    HE2  TYR  16           2HE      TYR  16  -0.845 -10.884   3.387
  119    HH   TYR  16           HH       TYR  16  -3.061  -9.377   3.476
  120    H    TYR  17           H        TYR  17   1.543  -5.736   0.028
  121    HA   TYR  17           HA       TYR  17   2.949  -5.546   2.608
  122   1HB   TYR  17          2HB       TYR  17   3.837  -4.025   0.753
  123   2HB   TYR  17          1HB       TYR  17   2.307  -3.167   0.864
  124    HD1  TYR  17           1HD      TYR  17   2.948  -1.072   1.698
  125    HD2  TYR  17           2HD      TYR  17   4.326  -4.598   3.642
  126    HE1  TYR  17           1HE      TYR  17   3.856   0.300   3.530
  127    HE2  TYR  17           2HE      TYR  17   5.233  -3.239   5.478
  128    HH   TYR  17           HH       TYR  17   5.499   0.174   5.280
  129    H    GLN  18           H        GLN  18   1.290  -6.106   3.919
  130    HA   GLN  18           HA       GLN  18  -1.375  -5.781   3.724
  131   1HB   GLN  18          2HB       GLN  18   0.170  -6.678   5.671
  132   2HB   GLN  18          1HB       GLN  18  -0.178  -5.103   6.367
  133   1HG   GLN  18          2HG       GLN  18  -2.261  -5.675   6.916
  134   2HG   GLN  18          1HG       GLN  18  -2.548  -6.473   5.370
  135   1HE2  GLN  18          1HE2      GLN  18  -1.705  -6.863   8.666
  136   2HE2  GLN  18          2HE2      GLN  18  -1.588  -8.587   8.667
  137    H    GLU  19           H        GLU  19   0.912  -3.229   4.448
  138    HA   GLU  19           HA       GLU  19  -0.906  -1.303   5.394
  139   1HB   GLU  19          2HB       GLU  19   1.782  -1.386   5.139
  140   2HB   GLU  19          1HB       GLU  19   1.383  -0.349   3.777
  141   1HG   GLU  19          2HG       GLU  19   0.878   1.383   5.091
  142   2HG   GLU  19          1HG       GLU  19   0.008   0.376   6.248
  143    H    CYS  20           H        CYS  20   0.364  -1.891   2.126
  144    HA   CYS  20           HA       CYS  20  -1.155   0.144   0.875
  145   1HB   CYS  20          2HB       CYS  20   0.919  -1.391   0.085
  146   2HB   CYS  20          1HB       CYS  20  -0.398  -2.230  -0.728
  147    H    GLN  21           H        GLN  21  -1.696  -3.319   1.344
  148    HA   GLN  21           HA       GLN  21  -3.987  -3.596  -0.230
  149   1HB   GLN  21          2HB       GLN  21  -2.491  -5.219   1.490
  150   2HB   GLN  21          1HB       GLN  21  -4.113  -5.221   2.170
  151   1HG   GLN  21          2HG       GLN  21  -4.372  -5.559  -0.622
  152   2HG   GLN  21          1HG       GLN  21  -3.104  -6.653  -0.072
  153   1HE2  GLN  21          1HE2      GLN  21  -6.350  -5.559   0.855
  154   2HE2  GLN  21          2HE2      GLN  21  -6.918  -7.112   1.356
  155    H    ASP  22           H        ASP  22  -3.681  -2.808   3.221
  156    HA   ASP  22           HA       ASP  22  -6.436  -2.632   3.755
  157   1HB   ASP  22          2HB       ASP  22  -3.976  -1.558   5.097
  158   2HB   ASP  22          1HB       ASP  22  -5.572  -1.075   5.664
  159    H    CYS  23           H        CYS  23  -4.084  -0.258   2.633
  160    HA   CYS  23           HA       CYS  23  -5.635   2.049   2.869
  161   1HB   CYS  23          2HB       CYS  23  -3.120   1.586   2.117
  162   2HB   CYS  23          1HB       CYS  23  -3.846   1.778   0.533
  163    H    CYS  24           H        CYS  24  -5.061   0.133  -0.073
  164    HA   CYS  24           HA       CYS  24  -6.848   1.395  -1.749
  165   1HB   CYS  24          2HB       CYS  24  -5.134  -0.456  -2.250
  166   2HB   CYS  24          1HB       CYS  24  -6.416  -1.581  -1.823
  167    H    LYS  25           H        LYS  25  -7.497  -1.627   0.039
  168    HA   LYS  25           HA       LYS  25 -10.140  -1.973  -0.568
  169   1HB   LYS  25          2HB       LYS  25  -9.003  -3.650   0.677
  170   2HB   LYS  25          1HB       LYS  25  -8.639  -2.535   1.985
  171   1HG   LYS  25          2HG       LYS  25 -11.489  -3.085   1.343
  172   2HG   LYS  25          1HG       LYS  25 -10.554  -4.316   2.197
  173   1HD   LYS  25          2HD       LYS  25 -10.198  -1.614   3.258
  174   2HD   LYS  25          1HD       LYS  25 -11.854  -2.210   3.371
  175   1HE   LYS  25          2HE       LYS  25 -11.017  -3.030   5.330
  176   2HE   LYS  25          1HE       LYS  25 -10.638  -4.379   4.260
  177   1HZ   LYS  25          1HZ       LYS  25  -8.631  -2.276   4.492
  178   2HZ   LYS  25          2HZ       LYS  25  -8.433  -3.949   4.348
  179   3HZ   LYS  25          3HZ       LYS  25  -8.845  -3.274   5.842
  180    H    ASN  26           H        ASN  26  -8.773   0.172   1.887
  181    HA   ASN  26           HA       ASN  26 -11.290   0.966   2.966
  182   1HB   ASN  26          2HB       ASN  26  -8.639   1.271   3.704
  183   2HB   ASN  26          1HB       ASN  26  -9.132   2.906   3.283
  184   1HD2  ASN  26          1HD2      ASN  26  -9.352   0.372   5.555
  185   2HD2  ASN  26          2HD2      ASN  26 -10.389   1.165   6.685
  186    H    ALA  27           H        ALA  27  -9.391   1.951   0.250
  187    HA   ALA  27           HA       ALA  27 -10.564   4.544  -0.059
  188   1HB   ALA  27          1HB       ALA  27  -8.319   3.680  -0.987
  189   2HB   ALA  27          2HB       ALA  27  -9.297   4.742  -2.002
  190   3HB   ALA  27          3HB       ALA  27  -9.293   3.003  -2.292
  191    H    GLY  28           H        GLY  28 -11.318   1.313  -1.127
  192   1HA   GLY  28          2HA       GLY  28 -13.836   1.148  -1.495
  193   2HA   GLY  28          1HA       GLY  28 -13.543   2.359  -2.730
  194    H    HIS  29           H        HIS  29 -11.404  -0.336  -2.008
  195    HA   HIS  29           HA       HIS  29 -12.276  -1.693  -4.453
  196   1HB   HIS  29          2HB       HIS  29  -9.361  -1.188  -3.855
  197   2HB   HIS  29          1HB       HIS  29 -10.053  -1.867  -5.324
  198    HD1  HIS  29           1HD      HIS  29 -11.855  -0.017  -6.490
  199    HD2  HIS  29           2HD      HIS  29  -8.699   1.404  -4.191
  200    HE1  HIS  29           1HE      HIS  29 -11.545   2.380  -7.183
  201    HE2  HIS  29           2HE      HIS  29  -9.571   3.191  -5.843
  202    H    ASN  30           H        ASN  30  -9.896  -3.481  -4.265
  203    HA   ASN  30           HA       ASN  30 -10.838  -5.093  -1.996
  204   1HB   ASN  30          2HB       ASN  30  -9.712  -5.805  -4.684
  205   2HB   ASN  30          1HB       ASN  30  -9.598  -6.950  -3.350
  206   1HD2  ASN  30          1HD2      ASN  30 -12.049  -4.752  -4.688
  207   2HD2  ASN  30          2HD2      ASN  30 -13.326  -5.915  -4.699
  208    H    GLY  31           H        GLY  31  -7.840  -4.390  -3.813
  209   1HA   GLY  31          2HA       GLY  31  -6.357  -3.958  -1.412
  210   2HA   GLY  31          1HA       GLY  31  -6.006  -5.533  -2.109
  211    H    GLY  32           H        GLY  32  -3.823  -4.764  -2.371
  212   1HA   GLY  32          2HA       GLY  32  -3.450  -3.565  -4.979
  213   2HA   GLY  32          1HA       GLY  32  -2.847  -2.597  -3.643
  214    H    THR  33           H        THR  33  -0.880  -3.038  -5.111
  215    HA   THR  33           HA       THR  33   0.544  -5.335  -3.964
  216    HB   THR  33           HB       THR  33   0.052  -6.092  -6.152
  217    HG1  THR  33           1HG      THR  33   2.608  -4.896  -6.378
  218   1HG2  THR  33          1HG2      THR  33   0.982  -3.437  -7.218
  219   2HG2  THR  33          2HG2      THR  33  -0.685  -4.009  -7.165
  220   3HG2  THR  33          3HG2      THR  33   0.497  -4.833  -8.181
  221    H    CYS  34           H        CYS  34   2.912  -5.113  -4.084
  222    HA   CYS  34           HA       CYS  34   3.685  -2.303  -3.717
  223   1HB   CYS  34          2HB       CYS  34   3.989  -4.214  -1.928
  224   2HB   CYS  34          1HB       CYS  34   5.422  -4.585  -2.877
  225    H    MET  35           H        MET  35   4.921  -1.356  -5.194
  226    HA   MET  35           HA       MET  35   6.662  -3.033  -6.871
  227   1HB   MET  35          2HB       MET  35   4.622  -1.014  -7.685
  228   2HB   MET  35          1HB       MET  35   6.086  -1.160  -8.647
  229   1HG   MET  35          2HG       MET  35   4.810  -3.716  -8.035
  230   2HG   MET  35          1HG       MET  35   3.811  -2.621  -8.988
  231   1HE   MET  35          1HE       MET  35   7.736  -4.550  -9.741
  232   2HE   MET  35          2HE       MET  35   6.381  -5.610 -10.130
  233   3HE   MET  35          3HE       MET  35   6.489  -4.865  -8.535
  234    H    PHE  36           H        PHE  36   8.579  -2.485  -5.916
  235    HA   PHE  36           HA       PHE  36  10.343  -1.225  -5.202
  236   1HB   PHE  36          2HB       PHE  36  10.608  -1.141  -7.617
  237   2HB   PHE  36          1HB       PHE  36   9.550   0.256  -7.707
  238    HD1  PHE  36           1HD      PHE  36  12.800  -0.932  -6.453
  239    HD2  PHE  36           2HD      PHE  36  10.391   2.437  -7.403
  240    HE1  PHE  36           1HE      PHE  36  14.760   0.534  -6.190
  241    HE2  PHE  36           2HE      PHE  36  12.343   3.914  -7.145
  242    HZ   PHE  36           HZ       PHE  36  14.533   2.961  -6.537
  243    H    PHE  37           H        PHE  37   9.014  -0.513  -3.326
  244    HA   PHE  37           HA       PHE  37   8.289   1.067  -1.867
  245   1HB   PHE  37          2HB       PHE  37   9.996   2.950  -3.499
  246   2HB   PHE  37          1HB       PHE  37   9.548   3.117  -1.804
  247    HD1  PHE  37           1HD      PHE  37   9.981   0.084  -1.230
  248    HD2  PHE  37           2HD      PHE  37  12.363   3.097  -3.057
  249    HE1  PHE  37           1HE      PHE  37  12.012  -1.133  -0.569
  250    HE2  PHE  37           2HE      PHE  37  14.403   1.883  -2.402
  251    HZ   PHE  37           HZ       PHE  37  14.226  -0.238  -1.158
  252    H    LYS  38           H        LYS  38   6.851   0.761  -4.536
  253    HA   LYS  38           HA       LYS  38   5.434   3.342  -4.465
  254   1HB   LYS  38          2HB       LYS  38   6.656   2.349  -6.644
  255   2HB   LYS  38          1HB       LYS  38   5.094   1.560  -6.814
  256   1HG   LYS  38          2HG       LYS  38   4.034   3.822  -6.602
  257   2HG   LYS  38          1HG       LYS  38   5.656   4.511  -6.696
  258   1HD   LYS  38          2HD       LYS  38   5.983   3.555  -8.888
  259   2HD   LYS  38          1HD       LYS  38   4.437   2.711  -8.788
  260   1HE   LYS  38          2HE       LYS  38   3.761   4.516  -9.991
  261   2HE   LYS  38          1HE       LYS  38   3.557   5.183  -8.372
  262   1HZ   LYS  38          1HZ       LYS  38   5.479   5.874 -10.431
  263   2HZ   LYS  38          2HZ       LYS  38   6.105   5.798  -8.861
  264   3HZ   LYS  38          3HZ       LYS  38   4.810   6.832  -9.205
  265    H    CYS  39           H        CYS  39   3.388   3.302  -3.811
  266    HA   CYS  39           HA       CYS  39   2.164   0.734  -3.224
  267   1HB   CYS  39          2HB       CYS  39   2.150   3.254  -1.988
  268   2HB   CYS  39          1HB       CYS  39   0.509   3.016  -2.580
  269    H    LYS  40           H        LYS  40   0.978  -0.227  -4.720
  270    HA   LYS  40           HA       LYS  40  -0.737   1.445  -6.439
  271   1HB   LYS  40          2HB       LYS  40   1.335   0.014  -7.384
  272   2HB   LYS  40          1HB       LYS  40   0.096  -1.233  -7.412
  273   1HG   LYS  40          2HG       LYS  40  -0.297  -0.412  -9.464
  274   2HG   LYS  40          1HG       LYS  40  -1.249   0.781  -8.579
  275   1HD   LYS  40          2HD       LYS  40   0.015   2.307  -9.622
  276   2HD   LYS  40          1HD       LYS  40   1.277   1.845  -8.480
  277   1HE   LYS  40          2HE       LYS  40   2.504   0.849 -10.067
  278   2HE   LYS  40          1HE       LYS  40   1.097   0.079 -10.799
  279   1HZ   LYS  40          1HZ       LYS  40   0.693   2.598 -11.521
  280   2HZ   LYS  40          2HZ       LYS  40   1.576   1.502 -12.458
  281   3HZ   LYS  40          3HZ       LYS  40   2.384   2.600 -11.457
  282    H    CYS  41           H        CYS  41  -2.669   0.260  -7.280
  283    HA   CYS  41           HA       CYS  41  -3.787  -1.392  -5.143
  284   1HB   CYS  41          2HB       CYS  41  -4.902   0.512  -7.132
  285   2HB   CYS  41          1HB       CYS  41  -5.922  -0.813  -6.623
  286    H    ALA  42           H        ALA  42  -5.807  -2.667  -6.364
  287    HA   ALA  42           HA       ALA  42  -4.411  -4.491  -8.204
  288   1HB   ALA  42          1HB       ALA  42  -5.016  -5.900  -6.538
  289   2HB   ALA  42          2HB       ALA  42  -6.527  -5.942  -7.447
  290   3HB   ALA  42          3HB       ALA  42  -6.376  -4.897  -6.033
  Start of MODEL   18
    1   1H    ASP   1          1HT       ASP   1  -8.002  18.203  -4.752
    2   2H    ASP   1          2HT       ASP   1  -8.413  16.796  -3.859
    3   3H    ASP   1          3HT       ASP   1  -8.225  16.710  -5.563
    4    HA   ASP   1           HA       ASP   1  -5.892  17.490  -5.176
    5   1HB   ASP   1          2HB       ASP   1  -6.718  16.610  -2.400
    6   2HB   ASP   1          1HB       ASP   1  -5.049  16.857  -2.904
    7    H    ARG   2           H        ARG   2  -7.989  14.859  -4.204
    8    HA   ARG   2           HA       ARG   2  -7.971  12.648  -4.714
    9   1HB   ARG   2          2HB       ARG   2  -6.840  13.705  -6.879
   10   2HB   ARG   2          1HB       ARG   2  -5.459  12.798  -6.289
   11   1HG   ARG   2          2HG       ARG   2  -8.180  11.620  -6.813
   12   2HG   ARG   2          1HG       ARG   2  -6.833  11.580  -7.951
   13   1HD   ARG   2          2HD       ARG   2  -5.793  10.631  -5.535
   14   2HD   ARG   2          1HD       ARG   2  -7.381   9.880  -5.689
   15    HE   ARG   2           HE       ARG   2  -5.703   9.755  -8.047
   16   1HH1  ARG   2          1HH1      ARG   2  -6.760   8.151  -5.129
   17   2HH1  ARG   2          2HH1      ARG   2  -6.315   6.574  -5.688
   18   1HH2  ARG   2          1HH2      ARG   2  -5.118   7.682  -8.779
   19   2HH2  ARG   2          2HH2      ARG   2  -5.383   6.307  -7.758
   20    H    ASP   3           H        ASP   3  -7.517  11.418  -3.092
   21    HA   ASP   3           HA       ASP   3  -5.355  11.648  -1.355
   22   1HB   ASP   3          2HB       ASP   3  -7.665  10.219  -1.340
   23   2HB   ASP   3          1HB       ASP   3  -6.492   8.934  -1.618
   24    H    SER   4           H        SER   4  -5.863   8.840  -3.492
   25    HA   SER   4           HA       SER   4  -4.407   7.478  -4.585
   26   1HB   SER   4          2HB       SER   4  -3.858   9.558  -5.802
   27   2HB   SER   4          1HB       SER   4  -2.625   9.926  -4.596
   28    HG   SER   4           HG       SER   4  -2.684   7.710  -6.367
   29    H    CYS   5           H        CYS   5  -4.029   6.038  -2.912
   30    HA   CYS   5           HA       CYS   5  -2.296   6.437  -0.754
   31   1HB   CYS   5          2HB       CYS   5  -3.276   3.945  -2.136
   32   2HB   CYS   5          1HB       CYS   5  -2.205   3.873  -0.740
   33    H    VAL   6           H        VAL   6  -1.657   5.659  -4.067
   34    HA   VAL   6           HA       VAL   6   0.756   4.374  -4.025
   35    HB   VAL   6           HB       VAL   6   0.167   6.659  -5.871
   36   1HG1  VAL   6          1HG1      VAL   6   1.421   5.091  -7.462
   37   2HG1  VAL   6          2HG1      VAL   6   1.953   4.261  -6.000
   38   3HG1  VAL   6          3HG1      VAL   6   2.359   5.960  -6.247
   39   1HG2  VAL   6          1HG2      VAL   6  -1.565   5.556  -6.713
   40   2HG2  VAL   6          2HG2      VAL   6  -1.366   4.309  -5.481
   41   3HG2  VAL   6          3HG2      VAL   6  -0.533   4.160  -7.029
   42    H    ASP   7           H        ASP   7   0.101   7.684  -3.172
   43    HA   ASP   7           HA       ASP   7   2.982   8.120  -2.734
   44   1HB   ASP   7          2HB       ASP   7   1.877   9.652  -4.377
   45   2HB   ASP   7          1HB       ASP   7   0.848  10.236  -3.073
   46    H    LYS   8           H        LYS   8  -0.182   8.128  -1.292
   47    HA   LYS   8           HA       LYS   8   0.456   9.548   1.070
   48   1HB   LYS   8          2HB       LYS   8  -1.848   8.650  -0.016
   49   2HB   LYS   8          1HB       LYS   8  -1.605   7.429   1.224
   50   1HG   LYS   8          2HG       LYS   8  -1.228  10.180   2.153
   51   2HG   LYS   8          1HG       LYS   8  -2.861   9.807   1.597
   52   1HD   LYS   8          2HD       LYS   8  -1.477   7.901   3.427
   53   2HD   LYS   8          1HD       LYS   8  -2.162   9.385   4.092
   54   1HE   LYS   8          2HE       LYS   8  -4.089   8.250   2.350
   55   2HE   LYS   8          1HE       LYS   8  -3.485   6.961   3.390
   56   1HZ   LYS   8          1HZ       LYS   8  -3.843   8.873   5.183
   57   2HZ   LYS   8          2HZ       LYS   8  -5.060   7.777   4.760
   58   3HZ   LYS   8          3HZ       LYS   8  -5.040   9.323   4.074
   59    H    SER   9           H        SER   9  -0.227   6.057   0.797
   60    HA   SER   9           HA       SER   9   1.178   5.511   3.238
   61   1HB   SER   9          2HB       SER   9  -0.869   4.265   2.136
   62   2HB   SER   9          1HB       SER   9   0.399   3.342   1.330
   63    HG   SER   9           HG       SER   9   1.247   2.887   3.431
   64    H    ARG  10           H        ARG  10   2.937   3.954   3.417
   65    HA   ARG  10           HA       ARG  10   4.894   4.342   1.272
   66   1HB   ARG  10          2HB       ARG  10   5.611   5.057   3.479
   67   2HB   ARG  10          1HB       ARG  10   5.226   3.477   4.149
   68   1HG   ARG  10          2HG       ARG  10   7.207   2.658   3.583
   69   2HG   ARG  10          1HG       ARG  10   7.067   3.262   1.932
   70   1HD   ARG  10          2HD       ARG  10   7.787   5.042   4.245
   71   2HD   ARG  10          1HD       ARG  10   9.001   4.150   3.327
   72    HE   ARG  10           HE       ARG  10   7.237   5.739   1.700
   73   1HH1  ARG  10          1HH1      ARG  10  10.191   5.729   3.561
   74   2HH1  ARG  10          2HH1      ARG  10  10.882   7.065   2.703
   75   1HH2  ARG  10          1HH2      ARG  10   8.145   7.496   0.572
   76   2HH2  ARG  10          2HH2      ARG  10   9.720   8.069   1.008
   77    H    CYS  11           H        CYS  11   6.052   2.622   0.381
   78    HA   CYS  11           HA       CYS  11   4.931  -0.053   0.904
   79   1HB   CYS  11          2HB       CYS  11   5.065   1.468  -1.555
   80   2HB   CYS  11          1HB       CYS  11   5.930  -0.057  -1.715
   81    H    ALA  12           H        ALA  12   6.378  -1.847   0.341
   82    HA   ALA  12           HA       ALA  12   9.103  -1.248   1.176
   83   1HB   ALA  12          1HB       ALA  12   8.922  -3.987   0.774
   84   2HB   ALA  12          2HB       ALA  12   7.321  -3.527   1.357
   85   3HB   ALA  12          3HB       ALA  12   8.753  -3.136   2.310
   86    H    LYS  13           H        LYS  13  10.670  -3.078   0.010
   87    HA   LYS  13           HA       LYS  13  11.381  -2.050  -2.415
   88   1HB   LYS  13          2HB       LYS  13  12.408  -3.888  -0.772
   89   2HB   LYS  13          1HB       LYS  13  11.786  -4.956  -2.015
   90   1HG   LYS  13          2HG       LYS  13  13.172  -4.025  -3.664
   91   2HG   LYS  13          1HG       LYS  13  13.545  -2.620  -2.665
   92   1HD   LYS  13          2HD       LYS  13  14.431  -5.464  -2.194
   93   2HD   LYS  13          1HD       LYS  13  15.437  -4.105  -2.687
   94   1HE   LYS  13          2HE       LYS  13  15.892  -3.925  -0.498
   95   2HE   LYS  13          1HE       LYS  13  14.320  -3.129  -0.416
   96   1HZ   LYS  13          1HZ       LYS  13  13.473  -5.550  -0.116
   97   2HZ   LYS  13          2HZ       LYS  13  14.128  -4.719   1.205
   98   3HZ   LYS  13          3HZ       LYS  13  15.063  -5.860   0.376
   99    H    TYR  14           H        TYR  14   9.412  -4.969  -1.875
  100    HA   TYR  14           HA       TYR  14   7.593  -4.504  -3.910
  101   1HB   TYR  14          2HB       TYR  14   8.590  -6.522  -5.392
  102   2HB   TYR  14          1HB       TYR  14   8.903  -4.826  -5.734
  103    HD1  TYR  14           1HD      TYR  14  10.350  -7.205  -3.236
  104    HD2  TYR  14           2HD      TYR  14  11.063  -4.602  -6.524
  105    HE1  TYR  14           1HE      TYR  14  12.765  -7.624  -3.036
  106    HE2  TYR  14           2HE      TYR  14  13.479  -5.012  -6.334
  107    HH   TYR  14           HH       TYR  14  14.947  -6.959  -5.380
  108    H    GLY  15           H        GLY  15   6.038  -6.130  -4.098
  109   1HA   GLY  15          2HA       GLY  15   5.538  -8.541  -3.726
  110   2HA   GLY  15          1HA       GLY  15   6.414  -8.379  -2.213
  111    H    TYR  16           H        TYR  16   4.762  -8.943  -0.861
  112    HA   TYR  16           HA       TYR  16   2.216  -7.542  -1.043
  113   1HB   TYR  16          2HB       TYR  16   2.487 -10.051  -0.564
  114   2HB   TYR  16          1HB       TYR  16   2.982  -9.566   1.052
  115    HD1  TYR  16           1HD      TYR  16   1.331  -8.054   2.362
  116    HD2  TYR  16           2HD      TYR  16   0.232 -10.350  -1.047
  117    HE1  TYR  16           1HE      TYR  16  -1.027  -7.934   3.049
  118    HE2  TYR  16           2HE      TYR  16  -2.128 -10.240  -0.368
  119    HH   TYR  16           HH       TYR  16  -3.587  -8.816   1.001
  120    H    TYR  17           H        TYR  17   1.299  -6.388   0.714
  121    HA   TYR  17           HA       TYR  17   2.857  -5.729   3.030
  122   1HB   TYR  17          2HB       TYR  17   3.669  -4.285   0.976
  123   2HB   TYR  17          1HB       TYR  17   2.224  -3.346   1.338
  124    HD1  TYR  17           1HD      TYR  17   2.946  -1.361   2.302
  125    HD2  TYR  17           2HD      TYR  17   4.666  -5.029   3.605
  126    HE1  TYR  17           1HE      TYR  17   4.176  -0.155   4.057
  127    HE2  TYR  17           2HE      TYR  17   5.899  -3.832   5.364
  128    HH   TYR  17           HH       TYR  17   6.728  -1.193   5.560
  129    H    GLN  18           H        GLN  18   1.338  -5.806   4.540
  130    HA   GLN  18           HA       GLN  18  -1.396  -5.650   4.163
  131   1HB   GLN  18          2HB       GLN  18   0.158  -6.297   6.249
  132   2HB   GLN  18          1HB       GLN  18  -0.345  -4.695   6.769
  133   1HG   GLN  18          2HG       GLN  18  -2.511  -5.315   7.064
  134   2HG   GLN  18          1HG       GLN  18  -2.447  -6.544   5.802
  135   1HE2  GLN  18          1HE2      GLN  18  -1.011  -5.835   8.970
  136   2HE2  GLN  18          2HE2      GLN  18  -1.091  -7.456   9.560
  137    H    GLU  19           H        GLU  19   0.909  -3.071   4.556
  138    HA   GLU  19           HA       GLU  19  -0.858  -1.023   5.336
  139   1HB   GLU  19          2HB       GLU  19   1.840  -1.203   4.948
  140   2HB   GLU  19          1HB       GLU  19   1.359  -0.217   3.574
  141   1HG   GLU  19          2HG       GLU  19   0.823   1.556   4.857
  142   2HG   GLU  19          1HG       GLU  19   0.230   0.558   6.184
  143    H    CYS  20           H        CYS  20   0.572  -1.498   2.098
  144    HA   CYS  20           HA       CYS  20  -1.057   0.253   0.710
  145   1HB   CYS  20          2HB       CYS  20   1.002  -1.067  -0.092
  146   2HB   CYS  20          1HB       CYS  20  -0.127  -2.360  -0.467
  147    H    GLN  21           H        GLN  21  -1.534  -3.200   1.300
  148    HA   GLN  21           HA       GLN  21  -3.861  -3.633  -0.125
  149   1HB   GLN  21          2HB       GLN  21  -2.542  -4.886   2.197
  150   2HB   GLN  21          1HB       GLN  21  -4.263  -5.209   2.062
  151   1HG   GLN  21          2HG       GLN  21  -2.220  -5.716  -0.089
  152   2HG   GLN  21          1HG       GLN  21  -2.897  -6.931   0.991
  153   1HE2  GLN  21          1HE2      GLN  21  -5.531  -6.286   1.036
  154   2HE2  GLN  21          2HE2      GLN  21  -6.220  -6.470  -0.537
  155    H    ASP  22           H        ASP  22  -3.635  -2.760   3.328
  156    HA   ASP  22           HA       ASP  22  -6.375  -2.487   3.781
  157   1HB   ASP  22          2HB       ASP  22  -3.900  -1.604   5.151
  158   2HB   ASP  22          1HB       ASP  22  -5.379  -0.746   5.580
  159    H    CYS  23           H        CYS  23  -4.001  -0.150   2.626
  160    HA   CYS  23           HA       CYS  23  -5.537   2.166   2.780
  161   1HB   CYS  23          2HB       CYS  23  -3.023   1.643   2.040
  162   2HB   CYS  23          1HB       CYS  23  -3.751   1.831   0.457
  163    H    CYS  24           H        CYS  24  -5.011   0.091  -0.052
  164    HA   CYS  24           HA       CYS  24  -6.749   1.334  -1.804
  165   1HB   CYS  24          2HB       CYS  24  -5.071  -0.569  -2.218
  166   2HB   CYS  24          1HB       CYS  24  -6.378  -1.649  -1.752
  167    H    LYS  25           H        LYS  25  -7.491  -1.658   0.003
  168    HA   LYS  25           HA       LYS  25 -10.138  -1.911  -0.618
  169   1HB   LYS  25          2HB       LYS  25 -10.410  -3.184   1.433
  170   2HB   LYS  25          1HB       LYS  25  -8.864  -3.559   0.684
  171   1HG   LYS  25          2HG       LYS  25  -7.680  -2.266   2.288
  172   2HG   LYS  25          1HG       LYS  25  -9.176  -1.585   2.931
  173   1HD   LYS  25          2HD       LYS  25  -9.031  -4.522   2.949
  174   2HD   LYS  25          1HD       LYS  25  -7.873  -3.711   4.003
  175   1HE   LYS  25          2HE       LYS  25 -10.840  -3.180   3.987
  176   2HE   LYS  25          1HE       LYS  25 -10.026  -4.263   5.114
  177   1HZ   LYS  25          1HZ       LYS  25  -8.958  -1.564   4.920
  178   2HZ   LYS  25          2HZ       LYS  25  -9.165  -2.551   6.277
  179   3HZ   LYS  25          3HZ       LYS  25 -10.484  -1.710   5.636
  180    H    ASN  26           H        ASN  26  -8.735   0.229   1.810
  181    HA   ASN  26           HA       ASN  26 -11.269   1.051   2.868
  182   1HB   ASN  26          2HB       ASN  26  -8.632   1.271   3.687
  183   2HB   ASN  26          1HB       ASN  26  -9.072   2.926   3.284
  184   1HD2  ASN  26          1HD2      ASN  26  -9.323   0.417   5.545
  185   2HD2  ASN  26          2HD2      ASN  26 -10.412   1.188   6.643
  186    H    ALA  27           H        ALA  27  -9.274   2.004   0.216
  187    HA   ALA  27           HA       ALA  27 -10.333   4.645  -0.087
  188   1HB   ALA  27          1HB       ALA  27  -8.153   3.410  -1.077
  189   2HB   ALA  27          2HB       ALA  27  -8.853   4.868  -1.778
  190   3HB   ALA  27          3HB       ALA  27  -9.235   3.290  -2.465
  191    H    GLY  28           H        GLY  28 -11.200   1.462  -1.219
  192   1HA   GLY  28          2HA       GLY  28 -13.728   1.429  -1.619
  193   2HA   GLY  28          1HA       GLY  28 -13.345   2.617  -2.853
  194    H    HIS  29           H        HIS  29 -11.361  -0.180  -2.079
  195    HA   HIS  29           HA       HIS  29 -12.289  -1.547  -4.488
  196   1HB   HIS  29          2HB       HIS  29  -9.341  -1.145  -4.023
  197   2HB   HIS  29          1HB       HIS  29 -10.146  -1.720  -5.478
  198    HD1  HIS  29           1HD      HIS  29 -11.930   0.300  -6.422
  199    HD2  HIS  29           2HD      HIS  29  -8.509   1.396  -4.332
  200    HE1  HIS  29           1HE      HIS  29 -11.506   2.701  -7.039
  201    HE2  HIS  29           2HE      HIS  29  -9.388   3.318  -5.822
  202    H    ASN  30           H        ASN  30  -9.927  -3.352  -4.350
  203    HA   ASN  30           HA       ASN  30 -10.792  -4.906  -2.012
  204   1HB   ASN  30          2HB       ASN  30 -11.064  -5.833  -4.388
  205   2HB   ASN  30          1HB       ASN  30  -9.311  -6.003  -4.397
  206   1HD2  ASN  30          1HD2      ASN  30 -11.973  -6.672  -2.141
  207   2HD2  ASN  30          2HD2      ASN  30 -11.462  -8.275  -1.750
  208    H    GLY  31           H        GLY  31  -7.877  -4.202  -3.949
  209   1HA   GLY  31          2HA       GLY  31  -6.258  -3.634  -1.726
  210   2HA   GLY  31          1HA       GLY  31  -6.034  -5.324  -2.151
  211    H    GLY  32           H        GLY  32  -3.861  -4.949  -2.708
  212   1HA   GLY  32          2HA       GLY  32  -3.424  -4.371  -5.440
  213   2HA   GLY  32          1HA       GLY  32  -2.923  -2.998  -4.465
  214    H    THR  33           H        THR  33  -0.750  -3.245  -5.033
  215    HA   THR  33           HA       THR  33   0.655  -5.224  -3.445
  216    HB   THR  33           HB       THR  33   0.419  -6.487  -5.459
  217    HG1  THR  33           1HG      THR  33   2.519  -6.512  -4.597
  218   1HG2  THR  33          1HG2      THR  33   1.101  -3.939  -6.840
  219   2HG2  THR  33          2HG2      THR  33  -0.173  -5.107  -7.193
  220   3HG2  THR  33          3HG2      THR  33   1.503  -5.482  -7.593
  221    H    CYS  34           H        CYS  34   2.971  -4.792  -3.305
  222    HA   CYS  34           HA       CYS  34   3.498  -1.939  -3.459
  223   1HB   CYS  34          2HB       CYS  34   4.545  -4.239  -1.897
  224   2HB   CYS  34          1HB       CYS  34   5.656  -2.924  -2.220
  225    H    MET  35           H        MET  35   4.476  -1.185  -5.211
  226    HA   MET  35           HA       MET  35   6.429  -2.895  -6.600
  227   1HB   MET  35          2HB       MET  35   4.371  -0.971  -7.599
  228   2HB   MET  35          1HB       MET  35   5.842  -1.207  -8.535
  229   1HG   MET  35          2HG       MET  35   5.324  -3.378  -9.062
  230   2HG   MET  35          1HG       MET  35   4.292  -3.589  -7.650
  231   1HE   MET  35          1HE       MET  35   4.311  -0.539  -9.890
  232   2HE   MET  35          2HE       MET  35   2.923  -0.728 -10.961
  233   3HE   MET  35          3HE       MET  35   4.394  -1.657 -11.253
  234    H    PHE  36           H        PHE  36   8.374  -2.244  -5.850
  235    HA   PHE  36           HA       PHE  36  10.137  -0.918  -5.291
  236   1HB   PHE  36          2HB       PHE  36  10.248  -0.734  -7.692
  237   2HB   PHE  36          1HB       PHE  36   9.043   0.540  -7.692
  238    HD1  PHE  36           1HD      PHE  36  12.407  -0.252  -6.370
  239    HD2  PHE  36           2HD      PHE  36   9.729   2.753  -7.725
  240    HE1  PHE  36           1HE      PHE  36  14.215   1.414  -6.217
  241    HE2  PHE  36           2HE      PHE  36  11.524   4.430  -7.579
  242    HZ   PHE  36           HZ       PHE  36  13.772   3.761  -6.824
  243    H    PHE  37           H        PHE  37   8.680  -0.384  -3.346
  244    HA   PHE  37           HA       PHE  37   8.073   1.109  -1.752
  245   1HB   PHE  37          2HB       PHE  37   9.586   3.143  -3.393
  246   2HB   PHE  37          1HB       PHE  37   9.247   3.203  -1.665
  247    HD1  PHE  37           1HD      PHE  37   9.853   0.242  -1.150
  248    HD2  PHE  37           2HD      PHE  37  11.956   3.300  -3.231
  249    HE1  PHE  37           1HE      PHE  37  11.975  -0.912  -0.690
  250    HE2  PHE  37           2HE      PHE  37  14.084   2.148  -2.778
  251    HZ   PHE  37           HZ       PHE  37  14.093   0.037  -1.506
  252    H    LYS  38           H        LYS  38   6.526   0.924  -4.423
  253    HA   LYS  38           HA       LYS  38   4.981   3.405  -4.051
  254   1HB   LYS  38          2HB       LYS  38   6.091   2.330  -6.400
  255   2HB   LYS  38          1HB       LYS  38   4.361   2.040  -6.518
  256   1HG   LYS  38          2HG       LYS  38   3.940   4.413  -6.145
  257   2HG   LYS  38          1HG       LYS  38   5.675   4.703  -6.019
  258   1HD   LYS  38          2HD       LYS  38   5.851   3.677  -8.344
  259   2HD   LYS  38          1HD       LYS  38   4.096   3.838  -8.426
  260   1HE   LYS  38          2HE       LYS  38   6.121   6.041  -8.075
  261   2HE   LYS  38          1HE       LYS  38   5.092   5.752  -9.477
  262   1HZ   LYS  38          1HZ       LYS  38   4.201   7.530  -8.148
  263   2HZ   LYS  38          2HZ       LYS  38   4.182   6.555  -6.767
  264   3HZ   LYS  38          3HZ       LYS  38   3.157   6.201  -8.064
  265    H    CYS  39           H        CYS  39   2.768   3.252  -3.784
  266    HA   CYS  39           HA       CYS  39   1.787   0.557  -3.174
  267   1HB   CYS  39          2HB       CYS  39   1.640   2.187  -1.358
  268   2HB   CYS  39          1HB       CYS  39   0.697   3.265  -2.380
  269    H    LYS  40           H        LYS  40   1.065  -0.271  -5.081
  270    HA   LYS  40           HA       LYS  40  -0.840   1.339  -6.634
  271   1HB   LYS  40          2HB       LYS  40   1.100   0.405  -7.853
  272   2HB   LYS  40          1HB       LYS  40   0.585  -1.215  -7.406
  273   1HG   LYS  40          2HG       LYS  40  -1.450  -0.958  -8.687
  274   2HG   LYS  40          1HG       LYS  40  -1.022   0.710  -9.075
  275   1HD   LYS  40          2HD       LYS  40   1.059  -0.187 -10.164
  276   2HD   LYS  40          1HD       LYS  40   0.390  -1.806  -9.948
  277   1HE   LYS  40          2HE       LYS  40  -0.254  -1.270 -12.110
  278   2HE   LYS  40          1HE       LYS  40  -1.683  -0.856 -11.164
  279   1HZ   LYS  40          1HZ       LYS  40   0.145   0.872 -12.613
  280   2HZ   LYS  40          2HZ       LYS  40  -0.372   1.456 -11.112
  281   3HZ   LYS  40          3HZ       LYS  40  -1.507   1.060 -12.302
  282    H    CYS  41           H        CYS  41  -2.829   0.391  -7.341
  283    HA   CYS  41           HA       CYS  41  -3.883  -1.529  -5.415
  284   1HB   CYS  41          2HB       CYS  41  -5.047   0.588  -7.160
  285   2HB   CYS  41          1HB       CYS  41  -6.064  -0.753  -6.684
  286    H    ALA  42           H        ALA  42  -5.959  -2.637  -6.686
  287    HA   ALA  42           HA       ALA  42  -5.091  -3.762  -9.222
  288   1HB   ALA  42          1HB       ALA  42  -5.002  -5.240  -6.664
  289   2HB   ALA  42          2HB       ALA  42  -4.040  -5.441  -8.129
  290   3HB   ALA  42          3HB       ALA  42  -5.674  -6.098  -8.050
  Start of MODEL   19
    1   1H    ASP   1          1HT       ASP   1 -13.017  13.384  -0.582
    2   2H    ASP   1          2HT       ASP   1 -11.703  12.336  -0.927
    3   3H    ASP   1          3HT       ASP   1 -13.083  12.350  -1.947
    4    HA   ASP   1           HA       ASP   1 -12.611  14.449  -2.753
    5   1HB   ASP   1          2HB       ASP   1 -10.687  14.503  -0.436
    6   2HB   ASP   1          1HB       ASP   1 -10.499  15.605  -1.797
    7    H    ARG   2           H        ARG   2  -9.812  12.592  -1.545
    8    HA   ARG   2           HA       ARG   2  -9.188  11.373  -3.973
    9   1HB   ARG   2          2HB       ARG   2  -8.688  13.637  -4.759
   10   2HB   ARG   2          1HB       ARG   2  -7.568  13.868  -3.425
   11   1HG   ARG   2          2HG       ARG   2  -6.081  13.313  -5.038
   12   2HG   ARG   2          1HG       ARG   2  -6.474  11.688  -4.475
   13   1HD   ARG   2          2HD       ARG   2  -8.288  12.704  -6.532
   14   2HD   ARG   2          1HD       ARG   2  -6.616  12.549  -7.069
   15    HE   ARG   2           HE       ARG   2  -7.473  10.214  -5.700
   16   1HH1  ARG   2          1HH1      ARG   2  -7.736  11.884  -8.752
   17   2HH1  ARG   2          2HH1      ARG   2  -8.029  10.439  -9.660
   18   1HH2  ARG   2          1HH2      ARG   2  -7.859   8.312  -6.892
   19   2HH2  ARG   2          2HH2      ARG   2  -8.100   8.410  -8.604
   20    H    ASP   3           H        ASP   3  -8.435   9.591  -3.060
   21    HA   ASP   3           HA       ASP   3  -6.798   9.690  -0.680
   22   1HB   ASP   3          2HB       ASP   3  -6.806   7.047  -1.576
   23   2HB   ASP   3          1HB       ASP   3  -7.838   7.739  -0.334
   24    H    SER   4           H        SER   4  -6.280   7.654  -3.539
   25    HA   SER   4           HA       SER   4  -4.393   7.112  -4.689
   26   1HB   SER   4          2HB       SER   4  -4.637   9.510  -5.364
   27   2HB   SER   4          1HB       SER   4  -3.529   9.943  -4.062
   28    HG   SER   4           HG       SER   4  -2.862   8.083  -6.088
   29    H    CYS   5           H        CYS   5  -3.971   5.716  -2.763
   30    HA   CYS   5           HA       CYS   5  -2.149   6.476  -0.752
   31   1HB   CYS   5          2HB       CYS   5  -2.787   3.721  -1.824
   32   2HB   CYS   5          1HB       CYS   5  -1.926   4.052  -0.325
   33    H    VAL   6           H        VAL   6  -1.672   5.708  -4.052
   34    HA   VAL   6           HA       VAL   6   0.800   4.507  -4.145
   35    HB   VAL   6           HB       VAL   6   0.009   6.738  -5.982
   36   1HG1  VAL   6          1HG1      VAL   6   2.057   6.192  -6.755
   37   2HG1  VAL   6          2HG1      VAL   6   1.173   4.878  -7.531
   38   3HG1  VAL   6          3HG1      VAL   6   2.025   4.593  -6.013
   39   1HG2  VAL   6          1HG2      VAL   6  -1.816   5.571  -6.504
   40   2HG2  VAL   6          2HG2      VAL   6  -1.301   4.200  -5.523
   41   3HG2  VAL   6          3HG2      VAL   6  -0.738   4.354  -7.187
   42    H    ASP   7           H        ASP   7   0.031   7.861  -3.472
   43    HA   ASP   7           HA       ASP   7   2.879   8.328  -2.879
   44   1HB   ASP   7          2HB       ASP   7   1.505   9.592  -4.874
   45   2HB   ASP   7          1HB       ASP   7   1.271  10.708  -3.533
   46    H    LYS   8           H        LYS   8   0.848   7.370  -1.084
   47    HA   LYS   8           HA       LYS   8   0.894   9.577   0.853
   48   1HB   LYS   8          2HB       LYS   8  -1.409   8.914  -0.368
   49   2HB   LYS   8          1HB       LYS   8  -1.443   7.754   0.952
   50   1HG   LYS   8          2HG       LYS   8  -0.756  10.140   2.176
   51   2HG   LYS   8          1HG       LYS   8  -1.957  10.602   0.968
   52   1HD   LYS   8          2HD       LYS   8  -2.386   8.292   2.843
   53   2HD   LYS   8          1HD       LYS   8  -2.814   9.947   3.284
   54   1HE   LYS   8          2HE       LYS   8  -4.397  10.104   1.535
   55   2HE   LYS   8          1HE       LYS   8  -3.795   8.639   0.760
   56   1HZ   LYS   8          1HZ       LYS   8  -5.746   7.998   1.837
   57   2HZ   LYS   8          2HZ       LYS   8  -5.391   8.877   3.236
   58   3HZ   LYS   8          3HZ       LYS   8  -4.520   7.473   2.878
   59    H    SER   9           H        SER   9   0.398   6.091   0.380
   60    HA   SER   9           HA       SER   9   1.418   5.628   3.097
   61   1HB   SER   9          2HB       SER   9  -0.837   4.639   2.093
   62   2HB   SER   9          1HB       SER   9   0.264   3.414   1.461
   63    HG   SER   9           HG       SER   9  -0.515   3.930   4.064
   64    H    ARG  10           H        ARG  10   3.471   5.041   3.296
   65    HA   ARG  10           HA       ARG  10   5.168   4.489   1.140
   66   1HB   ARG  10          2HB       ARG  10   5.724   5.348   3.486
   67   2HB   ARG  10          1HB       ARG  10   5.676   3.663   3.987
   68   1HG   ARG  10          2HG       ARG  10   7.916   4.132   3.594
   69   2HG   ARG  10          1HG       ARG  10   7.390   3.227   2.176
   70   1HD   ARG  10          2HD       ARG  10   7.640   5.000   0.793
   71   2HD   ARG  10          1HD       ARG  10   7.124   6.160   2.016
   72    HE   ARG  10           HE       ARG  10   9.319   6.528   2.492
   73   1HH1  ARG  10          1HH1      ARG  10   9.049   3.399   0.971
   74   2HH1  ARG  10          2HH1      ARG  10  10.759   3.131   0.933
   75   1HH2  ARG  10          1HH2      ARG  10  11.569   6.177   2.445
   76   2HH2  ARG  10          2HH2      ARG  10  12.190   4.708   1.770
   77    H    CYS  11           H        CYS  11   6.349   2.537   0.686
   78    HA   CYS  11           HA       CYS  11   5.045   0.055   1.543
   79   1HB   CYS  11          2HB       CYS  11   4.382   1.020  -0.839
   80   2HB   CYS  11          1HB       CYS  11   5.907   0.279  -1.305
   81    H    ALA  12           H        ALA  12   6.401  -1.882   0.685
   82    HA   ALA  12           HA       ALA  12   9.139  -1.397   1.528
   83   1HB   ALA  12          1HB       ALA  12   8.943  -4.087   0.975
   84   2HB   ALA  12          2HB       ALA  12   7.312  -3.667   1.499
   85   3HB   ALA  12          3HB       ALA  12   8.688  -3.335   2.550
   86    H    LYS  13           H        LYS  13  10.657  -3.177   0.242
   87    HA   LYS  13           HA       LYS  13  11.361  -1.991  -2.129
   88   1HB   LYS  13          2HB       LYS  13  12.455  -3.871  -0.597
   89   2HB   LYS  13          1HB       LYS  13  11.816  -4.909  -1.857
   90   1HG   LYS  13          2HG       LYS  13  13.268  -4.142  -3.425
   91   2HG   LYS  13          1HG       LYS  13  13.356  -2.531  -2.710
   92   1HD   LYS  13          2HD       LYS  13  14.644  -5.030  -1.614
   93   2HD   LYS  13          1HD       LYS  13  15.469  -3.725  -2.463
   94   1HE   LYS  13          2HE       LYS  13  15.698  -2.597  -0.567
   95   2HE   LYS  13          1HE       LYS  13  13.953  -2.611  -0.322
   96   1HZ   LYS  13          1HZ       LYS  13  14.534  -5.069   0.444
   97   2HZ   LYS  13          2HZ       LYS  13  14.564  -3.755   1.509
   98   3HZ   LYS  13          3HZ       LYS  13  16.004  -4.325   0.832
   99    H    TYR  14           H        TYR  14   9.314  -4.869  -1.694
  100    HA   TYR  14           HA       TYR  14   7.560  -4.345  -3.751
  101   1HB   TYR  14          2HB       TYR  14   8.540  -6.267  -5.332
  102   2HB   TYR  14          1HB       TYR  14   8.946  -4.570  -5.548
  103    HD1  TYR  14           1HD      TYR  14  10.294  -6.730  -2.857
  104    HD2  TYR  14           2HD      TYR  14  11.052  -4.861  -6.603
  105    HE1  TYR  14           1HE      TYR  14  12.681  -7.277  -2.640
  106    HE2  TYR  14           2HE      TYR  14  13.440  -5.405  -6.397
  107    HH   TYR  14           HH       TYR  14  14.882  -6.317  -3.567
  108    H    GLY  15           H        GLY  15   6.067  -6.055  -4.160
  109   1HA   GLY  15          2HA       GLY  15   5.564  -8.454  -3.855
  110   2HA   GLY  15          1HA       GLY  15   6.392  -8.342  -2.311
  111    H    TYR  16           H        TYR  16   4.885  -8.723  -0.829
  112    HA   TYR  16           HA       TYR  16   2.266  -7.425  -1.088
  113   1HB   TYR  16          2HB       TYR  16   2.495  -9.940  -0.727
  114   2HB   TYR  16          1HB       TYR  16   3.034  -9.556   0.904
  115    HD1  TYR  16           1HD      TYR  16   1.391  -7.854   2.176
  116    HD2  TYR  16           2HD      TYR  16   0.269 -10.439  -1.011
  117    HE1  TYR  16           1HE      TYR  16  -0.948  -7.757   2.928
  118    HE2  TYR  16           2HE      TYR  16  -2.073 -10.347  -0.269
  119    HH   TYR  16           HH       TYR  16  -3.540  -8.922   1.029
  120    H    TYR  17           H        TYR  17   1.576  -5.908   0.304
  121    HA   TYR  17           HA       TYR  17   3.080  -5.441   2.775
  122   1HB   TYR  17          2HB       TYR  17   3.715  -3.909   0.718
  123   2HB   TYR  17          1HB       TYR  17   2.240  -3.062   1.168
  124    HD1  TYR  17           1HD      TYR  17   2.931  -1.051   2.110
  125    HD2  TYR  17           2HD      TYR  17   4.833  -4.660   3.320
  126    HE1  TYR  17           1HE      TYR  17   4.168   0.187   3.839
  127    HE2  TYR  17           2HE      TYR  17   6.074  -3.433   5.052
  128    HH   TYR  17           HH       TYR  17   5.313  -0.206   5.922
  129    H    GLN  18           H        GLN  18   1.637  -5.654   4.340
  130    HA   GLN  18           HA       GLN  18  -1.102  -5.682   4.124
  131   1HB   GLN  18          2HB       GLN  18   0.609  -6.179   6.126
  132   2HB   GLN  18          1HB       GLN  18   0.004  -4.618   6.662
  133   1HG   GLN  18          2HG       GLN  18  -1.586  -5.838   7.650
  134   2HG   GLN  18          1HG       GLN  18  -2.310  -5.864   6.042
  135   1HE2  GLN  18          1HE2      GLN  18  -0.516  -7.666   8.410
  136   2HE2  GLN  18          2HE2      GLN  18  -0.736  -9.222   7.692
  137    H    GLU  19           H        GLU  19   0.997  -2.908   4.660
  138    HA   GLU  19           HA       GLU  19  -0.970  -1.045   5.381
  139   1HB   GLU  19          2HB       GLU  19   1.807  -0.935   4.381
  140   2HB   GLU  19          1HB       GLU  19   0.844   0.507   4.092
  141   1HG   GLU  19          2HG       GLU  19   0.491   0.861   6.387
  142   2HG   GLU  19          1HG       GLU  19   1.050  -0.758   6.803
  143    H    CYS  20           H        CYS  20   0.523  -1.559   2.179
  144    HA   CYS  20           HA       CYS  20  -1.069   0.198   0.738
  145   1HB   CYS  20          2HB       CYS  20   1.004  -1.112  -0.021
  146   2HB   CYS  20          1HB       CYS  20  -0.103  -2.430  -0.376
  147    H    GLN  21           H        GLN  21  -1.541  -3.280   1.256
  148    HA   GLN  21           HA       GLN  21  -3.871  -3.655  -0.177
  149   1HB   GLN  21          2HB       GLN  21  -2.516  -5.008   2.054
  150   2HB   GLN  21          1HB       GLN  21  -4.245  -5.313   1.972
  151   1HG   GLN  21          2HG       GLN  21  -2.289  -5.748  -0.274
  152   2HG   GLN  21          1HG       GLN  21  -2.933  -7.002   0.783
  153   1HE2  GLN  21          1HE2      GLN  21  -5.569  -6.280   0.948
  154   2HE2  GLN  21          2HE2      GLN  21  -6.311  -6.422  -0.605
  155    H    ASP  22           H        ASP  22  -3.631  -2.895   3.303
  156    HA   ASP  22           HA       ASP  22  -6.369  -2.670   3.789
  157   1HB   ASP  22          2HB       ASP  22  -3.894  -1.945   5.172
  158   2HB   ASP  22          1HB       ASP  22  -5.239  -0.873   5.552
  159    H    CYS  23           H        CYS  23  -4.041  -0.276   2.661
  160    HA   CYS  23           HA       CYS  23  -5.597   2.020   2.877
  161   1HB   CYS  23          2HB       CYS  23  -3.089   1.541   2.101
  162   2HB   CYS  23          1HB       CYS  23  -3.834   1.740   0.527
  163    H    CYS  24           H        CYS  24  -5.071   0.045  -0.032
  164    HA   CYS  24           HA       CYS  24  -6.853   1.314  -1.713
  165   1HB   CYS  24          2HB       CYS  24  -5.144  -0.560  -2.187
  166   2HB   CYS  24          1HB       CYS  24  -6.451  -1.663  -1.779
  167    H    LYS  25           H        LYS  25  -7.524  -1.726   0.050
  168    HA   LYS  25           HA       LYS  25 -10.179  -2.007  -0.556
  169   1HB   LYS  25          2HB       LYS  25 -10.412  -3.314   1.479
  170   2HB   LYS  25          1HB       LYS  25  -8.868  -3.658   0.714
  171   1HG   LYS  25          2HG       LYS  25  -7.676  -2.434   2.332
  172   2HG   LYS  25          1HG       LYS  25  -9.145  -1.682   2.955
  173   1HD   LYS  25          2HD       LYS  25  -9.107  -4.624   3.023
  174   2HD   LYS  25          1HD       LYS  25  -7.941  -3.828   4.082
  175   1HE   LYS  25          2HE       LYS  25 -10.887  -3.195   4.004
  176   2HE   LYS  25          1HE       LYS  25 -10.137  -4.295   5.158
  177   1HZ   LYS  25          1HZ       LYS  25  -8.975  -1.632   4.946
  178   2HZ   LYS  25          2HZ       LYS  25  -9.214  -2.603   6.311
  179   3HZ   LYS  25          3HZ       LYS  25 -10.507  -1.729   5.657
  180    H    ASN  26           H        ASN  26  -8.747   0.128   1.848
  181    HA   ASN  26           HA       ASN  26 -11.250   0.919   2.993
  182   1HB   ASN  26          2HB       ASN  26  -8.600   1.189   3.725
  183   2HB   ASN  26          1HB       ASN  26  -9.054   2.832   3.289
  184   1HD2  ASN  26          1HD2      ASN  26  -9.005   0.582   5.720
  185   2HD2  ASN  26          2HD2      ASN  26 -10.148   1.309   6.791
  186    H    ALA  27           H        ALA  27  -9.334   1.919   0.285
  187    HA   ALA  27           HA       ALA  27 -10.454   4.518  -0.027
  188   1HB   ALA  27          1HB       ALA  27  -8.322   3.277  -1.108
  189   2HB   ALA  27          2HB       ALA  27  -9.070   4.718  -1.801
  190   3HB   ALA  27          3HB       ALA  27  -9.476   3.122  -2.434
  191    H    GLY  28           H        GLY  28 -11.333   1.303  -1.099
  192   1HA   GLY  28          2HA       GLY  28 -13.931   1.368  -1.340
  193   2HA   GLY  28          1HA       GLY  28 -13.522   2.393  -2.702
  194    H    HIS  29           H        HIS  29 -11.016   0.412  -2.753
  195    HA   HIS  29           HA       HIS  29 -12.321  -1.391  -4.645
  196   1HB   HIS  29          2HB       HIS  29  -9.357  -1.064  -4.203
  197   2HB   HIS  29          1HB       HIS  29 -10.168  -1.748  -5.606
  198    HD1  HIS  29           1HD      HIS  29 -11.976   0.252  -6.641
  199    HD2  HIS  29           2HD      HIS  29  -8.419   1.384  -4.815
  200    HE1  HIS  29           1HE      HIS  29 -11.495   2.570  -7.487
  201    HE2  HIS  29           2HE      HIS  29  -9.297   3.204  -6.431
  202    H    ASN  30           H        ASN  30  -9.953  -3.260  -4.374
  203    HA   ASN  30           HA       ASN  30 -10.921  -4.678  -1.985
  204   1HB   ASN  30          2HB       ASN  30  -9.832  -5.750  -4.592
  205   2HB   ASN  30          1HB       ASN  30 -10.130  -6.752  -3.174
  206   1HD2  ASN  30          1HD2      ASN  30 -12.314  -6.872  -2.377
  207   2HD2  ASN  30          2HD2      ASN  30 -13.635  -6.698  -3.477
  208    H    GLY  31           H        GLY  31  -8.011  -4.127  -3.974
  209   1HA   GLY  31          2HA       GLY  31  -6.348  -3.730  -1.724
  210   2HA   GLY  31          1HA       GLY  31  -6.170  -5.381  -2.297
  211    H    GLY  32           H        GLY  32  -3.968  -4.903  -2.792
  212   1HA   GLY  32          2HA       GLY  32  -3.607  -4.074  -5.502
  213   2HA   GLY  32          1HA       GLY  32  -2.999  -2.872  -4.375
  214    H    THR  33           H        THR  33  -0.886  -3.203  -5.194
  215    HA   THR  33           HA       THR  33   0.466  -5.444  -3.912
  216    HB   THR  33           HB       THR  33   0.101  -6.359  -6.089
  217    HG1  THR  33           1HG      THR  33   2.711  -5.265  -6.136
  218   1HG2  THR  33          1HG2      THR  33   1.281  -4.990  -8.032
  219   2HG2  THR  33          2HG2      THR  33   0.740  -3.637  -7.040
  220   3HG2  THR  33          3HG2      THR  33  -0.429  -4.811  -7.645
  221    H    CYS  34           H        CYS  34   2.845  -5.173  -3.923
  222    HA   CYS  34           HA       CYS  34   3.513  -2.334  -3.644
  223   1HB   CYS  34          2HB       CYS  34   3.864  -4.093  -1.780
  224   2HB   CYS  34          1HB       CYS  34   5.247  -4.612  -2.734
  225    H    MET  35           H        MET  35   4.870  -1.340  -4.988
  226    HA   MET  35           HA       MET  35   6.650  -2.956  -6.671
  227   1HB   MET  35          2HB       MET  35   4.519  -1.063  -7.522
  228   2HB   MET  35          1HB       MET  35   6.022  -1.057  -8.436
  229   1HG   MET  35          2HG       MET  35   5.668  -3.630  -8.519
  230   2HG   MET  35          1HG       MET  35   3.995  -3.222  -8.143
  231   1HE   MET  35          1HE       MET  35   6.644  -3.657 -10.739
  232   2HE   MET  35          2HE       MET  35   5.631  -3.571 -12.180
  233   3HE   MET  35          3HE       MET  35   5.238  -4.712 -10.894
  234    H    PHE  36           H        PHE  36   8.514  -2.324  -5.637
  235    HA   PHE  36           HA       PHE  36  10.213  -0.987  -4.913
  236   1HB   PHE  36          2HB       PHE  36  10.510  -0.878  -7.323
  237   2HB   PHE  36          1HB       PHE  36   9.385   0.463  -7.421
  238    HD1  PHE  36           1HD      PHE  36  12.642  -0.554  -6.019
  239    HD2  PHE  36           2HD      PHE  36  10.141   2.669  -7.207
  240    HE1  PHE  36           1HE      PHE  36  14.525   1.005  -5.725
  241    HE2  PHE  36           2HE      PHE  36  12.013   4.239  -6.917
  242    HZ   PHE  36           HZ       PHE  36  14.210   3.407  -6.175
  243    H    PHE  37           H        PHE  37   8.641  -0.393  -3.110
  244    HA   PHE  37           HA       PHE  37   7.871   1.141  -1.633
  245   1HB   PHE  37          2HB       PHE  37   9.454   3.185  -3.185
  246   2HB   PHE  37          1HB       PHE  37   9.039   3.210  -1.474
  247    HD1  PHE  37           1HD      PHE  37   9.690   0.288  -0.919
  248    HD2  PHE  37           2HD      PHE  37  11.809   3.353  -2.974
  249    HE1  PHE  37           1HE      PHE  37  11.814  -0.829  -0.384
  250    HE2  PHE  37           2HE      PHE  37  13.938   2.238  -2.446
  251    HZ   PHE  37           HZ       PHE  37  13.941   0.142  -1.150
  252    H    LYS  38           H        LYS  38   6.543   0.814  -4.384
  253    HA   LYS  38           HA       LYS  38   4.955   3.294  -4.268
  254   1HB   LYS  38          2HB       LYS  38   5.223   1.449  -6.647
  255   2HB   LYS  38          1HB       LYS  38   4.409   3.005  -6.600
  256   1HG   LYS  38          2HG       LYS  38   6.731   3.933  -5.937
  257   2HG   LYS  38          1HG       LYS  38   7.335   2.412  -6.597
  258   1HD   LYS  38          2HD       LYS  38   7.346   3.504  -8.558
  259   2HD   LYS  38          1HD       LYS  38   5.605   3.214  -8.548
  260   1HE   LYS  38          2HE       LYS  38   5.950   5.499  -6.999
  261   2HE   LYS  38          1HE       LYS  38   7.068   5.703  -8.346
  262   1HZ   LYS  38          1HZ       LYS  38   4.881   4.855  -9.616
  263   2HZ   LYS  38          2HZ       LYS  38   5.247   6.487  -9.368
  264   3HZ   LYS  38          3HZ       LYS  38   4.171   5.696  -8.331
  265    H    CYS  39           H        CYS  39   2.957   3.070  -3.543
  266    HA   CYS  39           HA       CYS  39   1.854   0.405  -3.186
  267   1HB   CYS  39          2HB       CYS  39   1.752   1.919  -1.291
  268   2HB   CYS  39          1HB       CYS  39   0.899   3.119  -2.254
  269    H    LYS  40           H        LYS  40   1.013  -0.362  -5.048
  270    HA   LYS  40           HA       LYS  40  -0.835   1.366  -6.546
  271   1HB   LYS  40          2HB       LYS  40   1.172   0.189  -7.667
  272   2HB   LYS  40          1HB       LYS  40   0.219  -1.281  -7.512
  273   1HG   LYS  40          2HG       LYS  40  -0.037  -0.302  -9.717
  274   2HG   LYS  40          1HG       LYS  40  -1.565  -0.272  -8.834
  275   1HD   LYS  40          2HD       LYS  40  -1.335   2.054  -8.365
  276   2HD   LYS  40          1HD       LYS  40   0.328   2.070  -8.955
  277   1HE   LYS  40          2HE       LYS  40  -0.526   1.484 -11.211
  278   2HE   LYS  40          1HE       LYS  40  -2.169   1.624 -10.588
  279   1HZ   LYS  40          1HZ       LYS  40  -1.642   3.665 -11.619
  280   2HZ   LYS  40          2HZ       LYS  40  -0.144   3.773 -10.842
  281   3HZ   LYS  40          3HZ       LYS  40  -1.571   3.956  -9.954
  282    H    CYS  41           H        CYS  41  -2.830   0.403  -7.342
  283    HA   CYS  41           HA       CYS  41  -3.941  -1.470  -5.392
  284   1HB   CYS  41          2HB       CYS  41  -5.047   0.706  -7.093
  285   2HB   CYS  41          1HB       CYS  41  -6.102  -0.618  -6.662
  286    H    ALA  42           H        ALA  42  -6.062  -2.498  -6.668
  287    HA   ALA  42           HA       ALA  42  -5.008  -3.820  -9.077
  288   1HB   ALA  42          1HB       ALA  42  -6.142  -5.123  -6.622
  289   2HB   ALA  42          2HB       ALA  42  -4.610  -5.444  -7.434
  290   3HB   ALA  42          3HB       ALA  42  -6.127  -5.935  -8.187
  Start of MODEL   20
    1   1H    ASP   1          1HT       ASP   1  -8.724  14.042  -7.282
    2   2H    ASP   1          2HT       ASP   1  -8.412  14.896  -5.826
    3   3H    ASP   1          3HT       ASP   1  -9.037  13.299  -5.769
    4    HA   ASP   1           HA       ASP   1  -6.448  13.981  -6.974
    5   1HB   ASP   1          2HB       ASP   1  -7.276  13.603  -4.145
    6   2HB   ASP   1          1HB       ASP   1  -5.792  12.800  -4.645
    7    H    ARG   2           H        ARG   2  -5.318  12.207  -7.664
    8    HA   ARG   2           HA       ARG   2  -6.725   9.623  -7.493
    9   1HB   ARG   2          2HB       ARG   2  -6.155  11.025  -9.764
   10   2HB   ARG   2          1HB       ARG   2  -4.761   9.961  -9.658
   11   1HG   ARG   2          2HG       ARG   2  -5.941   8.250 -10.413
   12   2HG   ARG   2          1HG       ARG   2  -7.155   8.470  -9.153
   13   1HD   ARG   2          2HD       ARG   2  -7.669  10.532 -10.918
   14   2HD   ARG   2          1HD       ARG   2  -7.238   9.185 -11.971
   15    HE   ARG   2           HE       ARG   2  -9.134   8.496  -9.924
   16   1HH1  ARG   2          1HH1      ARG   2  -8.738   9.784 -13.143
   17   2HH1  ARG   2          2HH1      ARG   2 -10.337   9.352 -13.647
   18   1HH2  ARG   2          1HH2      ARG   2 -11.237   7.927 -10.585
   19   2HH2  ARG   2          2HH2      ARG   2 -11.757   8.299 -12.195
   20    H    ASP   3           H        ASP   3  -4.828  10.638  -5.582
   21    HA   ASP   3           HA       ASP   3  -2.235   9.666  -5.911
   22   1HB   ASP   3          2HB       ASP   3  -3.550  11.011  -3.935
   23   2HB   ASP   3          1HB       ASP   3  -3.338   9.431  -3.186
   24    H    SER   4           H        SER   4  -5.118   8.067  -4.607
   25    HA   SER   4           HA       SER   4  -5.606   5.883  -4.201
   26   1HB   SER   4          2HB       SER   4  -4.655   5.947  -6.713
   27   2HB   SER   4          1HB       SER   4  -3.449   4.886  -5.985
   28    HG   SER   4           HG       SER   4  -5.327   3.675  -5.162
   29    H    CYS   5           H        CYS   5  -3.376   7.252  -2.722
   30    HA   CYS   5           HA       CYS   5  -2.055   6.717  -0.947
   31   1HB   CYS   5          2HB       CYS   5  -3.755   4.569  -1.087
   32   2HB   CYS   5          1HB       CYS   5  -2.179   3.796  -1.204
   33    H    VAL   6           H        VAL   6  -1.370   6.180  -4.051
   34    HA   VAL   6           HA       VAL   6   0.967   4.563  -3.920
   35    HB   VAL   6           HB       VAL   6   0.421   6.612  -6.032
   36   1HG1  VAL   6          1HG1      VAL   6   2.550   4.999  -5.718
   37   2HG1  VAL   6          2HG1      VAL   6   1.959   5.546  -7.288
   38   3HG1  VAL   6          3HG1      VAL   6   1.505   3.954  -6.680
   39   1HG2  VAL   6          1HG2      VAL   6  -1.424   5.565  -6.686
   40   2HG2  VAL   6          2HG2      VAL   6  -1.293   4.476  -5.305
   41   3HG2  VAL   6          3HG2      VAL   6  -0.526   4.055  -6.837
   42    H    ASP   7           H        ASP   7   0.310   7.964  -3.525
   43    HA   ASP   7           HA       ASP   7   3.176   8.407  -2.999
   44   1HB   ASP   7          2HB       ASP   7   1.981   9.549  -5.069
   45   2HB   ASP   7          1HB       ASP   7   1.425  10.677  -3.836
   46    H    LYS   8           H        LYS   8   1.084   7.591  -1.146
   47    HA   LYS   8           HA       LYS   8   1.138   9.926   0.649
   48   1HB   LYS   8          2HB       LYS   8  -1.138   8.807  -0.392
   49   2HB   LYS   8          1HB       LYS   8  -0.993   7.965   1.144
   50   1HG   LYS   8          2HG       LYS   8  -1.839   9.713   2.196
   51   2HG   LYS   8          1HG       LYS   8  -0.515  10.722   1.611
   52   1HD   LYS   8          2HD       LYS   8  -2.192  10.459  -0.585
   53   2HD   LYS   8          1HD       LYS   8  -3.294  10.638   0.780
   54   1HE   LYS   8          2HE       LYS   8  -2.074  12.660   1.471
   55   2HE   LYS   8          1HE       LYS   8  -1.021  12.489   0.067
   56   1HZ   LYS   8          1HZ       LYS   8  -3.013  12.689  -1.345
   57   2HZ   LYS   8          2HZ       LYS   8  -2.734  14.073  -0.412
   58   3HZ   LYS   8          3HZ       LYS   8  -3.949  12.983   0.034
   59    H    SER   9           H        SER   9   0.659   6.390   0.672
   60    HA   SER   9           HA       SER   9   2.001   6.264   3.270
   61   1HB   SER   9          2HB       SER   9  -0.261   5.078   2.621
   62   2HB   SER   9          1HB       SER   9   0.814   3.864   1.929
   63    HG   SER   9           HG       SER   9   0.125   3.689   4.258
   64    H    ARG  10           H        ARG  10   3.655   4.662   3.656
   65    HA   ARG  10           HA       ARG  10   5.489   4.473   1.421
   66   1HB   ARG  10          2HB       ARG  10   6.259   5.178   3.670
   67   2HB   ARG  10          1HB       ARG  10   5.829   3.590   4.292
   68   1HG   ARG  10          2HG       ARG  10   7.568   2.545   3.208
   69   2HG   ARG  10          1HG       ARG  10   7.716   3.817   1.995
   70   1HD   ARG  10          2HD       ARG  10   8.445   5.329   3.914
   71   2HD   ARG  10          1HD       ARG  10   8.615   3.853   4.863
   72    HE   ARG  10           HE       ARG  10  10.062   3.308   2.656
   73   1HH1  ARG  10          1HH1      ARG  10  10.052   6.013   4.862
   74   2HH1  ARG  10          2HH1      ARG  10  11.732   6.362   4.638
   75   1HH2  ARG  10          1HH2      ARG  10  12.272   3.765   2.362
   76   2HH2  ARG  10          2HH2      ARG  10  12.993   5.086   3.219
   77    H    CYS  11           H        CYS  11   6.675   2.421   1.043
   78    HA   CYS  11           HA       CYS  11   5.147   0.005   1.648
   79   1HB   CYS  11          2HB       CYS  11   4.585   1.154  -0.673
   80   2HB   CYS  11          1HB       CYS  11   6.071   0.359  -1.170
   81    H    ALA  12           H        ALA  12   6.384  -1.965   0.692
   82    HA   ALA  12           HA       ALA  12   9.136  -1.721   1.597
   83   1HB   ALA  12          1HB       ALA  12   8.775  -4.354   0.898
   84   2HB   ALA  12          2HB       ALA  12   7.160  -3.858   1.407
   85   3HB   ALA  12          3HB       ALA  12   8.527  -3.672   2.507
   86    H    LYS  13           H        LYS  13  10.613  -3.431   0.268
   87    HA   LYS  13           HA       LYS  13  11.366  -2.196  -2.066
   88   1HB   LYS  13          2HB       LYS  13  12.414  -4.120  -0.551
   89   2HB   LYS  13          1HB       LYS  13  11.796  -5.121  -1.849
   90   1HG   LYS  13          2HG       LYS  13  13.268  -4.295  -3.382
   91   2HG   LYS  13          1HG       LYS  13  13.398  -2.732  -2.573
   92   1HD   LYS  13          2HD       LYS  13  14.596  -5.335  -1.624
   93   2HD   LYS  13          1HD       LYS  13  15.468  -3.995  -2.365
   94   1HE   LYS  13          2HE       LYS  13  15.730  -3.063  -0.370
   95   2HE   LYS  13          1HE       LYS  13  13.979  -2.943  -0.202
   96   1HZ   LYS  13          1HZ       LYS  13  15.508  -4.337   1.454
   97   2HZ   LYS  13          2HZ       LYS  13  15.142  -5.553   0.337
   98   3HZ   LYS  13          3HZ       LYS  13  13.894  -4.736   1.136
   99    H    TYR  14           H        TYR  14   9.307  -5.075  -1.719
  100    HA   TYR  14           HA       TYR  14   7.622  -4.476  -3.844
  101   1HB   TYR  14          2HB       TYR  14   8.604  -6.513  -5.307
  102   2HB   TYR  14          1HB       TYR  14   9.034  -4.831  -5.589
  103    HD1  TYR  14           1HD      TYR  14  10.229  -7.044  -2.847
  104    HD2  TYR  14           2HD      TYR  14  11.203  -5.013  -6.456
  105    HE1  TYR  14           1HE      TYR  14  12.601  -7.599  -2.512
  106    HE2  TYR  14           2HE      TYR  14  13.577  -5.564  -6.131
  107    HH   TYR  14           HH       TYR  14  14.942  -7.208  -4.951
  108    H    GLY  15           H        GLY  15   6.035  -6.082  -4.223
  109   1HA   GLY  15          2HA       GLY  15   5.430  -8.473  -3.886
  110   2HA   GLY  15          1HA       GLY  15   6.161  -8.325  -2.297
  111    H    TYR  16           H        TYR  16   4.535  -8.575  -0.906
  112    HA   TYR  16           HA       TYR  16   2.064  -7.044  -1.361
  113   1HB   TYR  16          2HB       TYR  16   1.975  -9.587  -1.142
  114   2HB   TYR  16          1HB       TYR  16   2.386  -9.352   0.553
  115    HD1  TYR  16           1HD      TYR  16   0.825  -7.885   1.957
  116    HD2  TYR  16           2HD      TYR  16  -0.246  -9.440  -1.855
  117    HE1  TYR  16           1HE      TYR  16  -1.550  -7.535   2.489
  118    HE2  TYR  16           2HE      TYR  16  -2.625  -9.094  -1.335
  119    HH   TYR  16           HH       TYR  16  -3.947  -7.500   0.261
  120    H    TYR  17           H        TYR  17   1.425  -5.534   0.058
  121    HA   TYR  17           HA       TYR  17   2.810  -5.350   2.641
  122   1HB   TYR  17          2HB       TYR  17   3.636  -3.736   0.751
  123   2HB   TYR  17          1HB       TYR  17   2.152  -2.858   1.104
  124    HD1  TYR  17           1HD      TYR  17   2.924  -0.885   2.095
  125    HD2  TYR  17           2HD      TYR  17   4.404  -4.623   3.485
  126    HE1  TYR  17           1HE      TYR  17   4.047   0.260   3.959
  127    HE2  TYR  17           2HE      TYR  17   5.527  -3.490   5.355
  128    HH   TYR  17           HH       TYR  17   6.341  -1.311   5.966
  129    H    GLN  18           H        GLN  18   1.254  -5.700   4.081
  130    HA   GLN  18           HA       GLN  18  -1.456  -5.530   3.777
  131   1HB   GLN  18          2HB       GLN  18   0.088  -6.318   5.785
  132   2HB   GLN  18          1HB       GLN  18  -0.344  -4.738   6.424
  133   1HG   GLN  18          2HG       GLN  18  -2.613  -6.270   5.405
  134   2HG   GLN  18          1HG       GLN  18  -1.780  -7.024   6.765
  135   1HE2  GLN  18          1HE2      GLN  18  -3.691  -6.672   7.993
  136   2HE2  GLN  18          2HE2      GLN  18  -4.030  -5.119   8.668
  137    H    GLU  19           H        GLU  19   0.765  -2.912   4.420
  138    HA   GLU  19           HA       GLU  19  -1.135  -0.999   5.269
  139   1HB   GLU  19          2HB       GLU  19   1.681  -1.013   4.454
  140   2HB   GLU  19          1HB       GLU  19   0.843   0.481   4.057
  141   1HG   GLU  19          2HG       GLU  19   0.040   0.003   6.635
  142   2HG   GLU  19          1HG       GLU  19   1.711  -0.556   6.633
  143    H    CYS  20           H        CYS  20   0.240  -1.744   2.085
  144    HA   CYS  20           HA       CYS  20  -1.168   0.278   0.692
  145   1HB   CYS  20          2HB       CYS  20   0.908  -1.050  -0.053
  146   2HB   CYS  20          1HB       CYS  20  -0.230  -2.295  -0.556
  147    H    GLN  21           H        GLN  21  -1.728  -3.243   0.880
  148    HA   GLN  21           HA       GLN  21  -4.081  -3.309  -0.597
  149   1HB   GLN  21          2HB       GLN  21  -4.524  -5.454   0.442
  150   2HB   GLN  21          1HB       GLN  21  -2.814  -5.312   0.059
  151   1HG   GLN  21          2HG       GLN  21  -2.277  -5.716   2.141
  152   2HG   GLN  21          1HG       GLN  21  -3.242  -4.355   2.700
  153   1HE2  GLN  21          1HE2      GLN  21  -5.741  -4.984   2.400
  154   2HE2  GLN  21          2HE2      GLN  21  -6.165  -6.454   3.202
  155    H    ASP  22           H        ASP  22  -3.540  -2.424   2.735
  156    HA   ASP  22           HA       ASP  22  -6.258  -2.540   3.562
  157   1HB   ASP  22          2HB       ASP  22  -4.366  -2.589   5.152
  158   2HB   ASP  22          1HB       ASP  22  -3.977  -0.926   4.722
  159    H    CYS  23           H        CYS  23  -4.164   0.066   2.389
  160    HA   CYS  23           HA       CYS  23  -5.931   2.197   2.713
  161   1HB   CYS  23          2HB       CYS  23  -3.395   1.975   1.883
  162   2HB   CYS  23          1HB       CYS  23  -4.187   2.184   0.334
  163    H    CYS  24           H        CYS  24  -5.274   0.313  -0.225
  164    HA   CYS  24           HA       CYS  24  -7.183   1.463  -1.873
  165   1HB   CYS  24          2HB       CYS  24  -5.331  -0.213  -2.448
  166   2HB   CYS  24          1HB       CYS  24  -6.481  -1.463  -1.988
  167    H    LYS  25           H        LYS  25  -7.537  -1.598  -0.055
  168    HA   LYS  25           HA       LYS  25 -10.163  -2.138  -0.664
  169   1HB   LYS  25          2HB       LYS  25  -9.384  -3.901   0.490
  170   2HB   LYS  25          1HB       LYS  25  -8.245  -2.921   1.393
  171   1HG   LYS  25          2HG       LYS  25 -10.453  -2.211   2.684
  172   2HG   LYS  25          1HG       LYS  25 -10.990  -3.785   2.096
  173   1HD   LYS  25          2HD       LYS  25  -9.983  -4.560   3.947
  174   2HD   LYS  25          1HD       LYS  25  -8.502  -4.376   3.011
  175   1HE   LYS  25          2HE       LYS  25  -8.291  -3.375   5.235
  176   2HE   LYS  25          1HE       LYS  25  -8.157  -2.163   3.961
  177   1HZ   LYS  25          1HZ       LYS  25  -9.751  -1.048   4.989
  178   2HZ   LYS  25          2HZ       LYS  25 -10.005  -2.299   6.098
  179   3HZ   LYS  25          3HZ       LYS  25 -10.838  -2.293   4.627
  180    H    ASN  26           H        ASN  26  -8.965  -0.239   2.105
  181    HA   ASN  26           HA       ASN  26 -11.490   0.394   3.162
  182   1HB   ASN  26          2HB       ASN  26  -8.874   0.834   3.899
  183   2HB   ASN  26          1HB       ASN  26  -9.451   2.458   3.549
  184   1HD2  ASN  26          1HD2      ASN  26  -8.706   1.268   6.093
  185   2HD2  ASN  26          2HD2      ASN  26 -10.094   1.400   7.113
  186    H    ALA  27           H        ALA  27  -9.716   1.703   0.496
  187    HA   ALA  27           HA       ALA  27 -11.087   4.208   0.371
  188   1HB   ALA  27          1HB       ALA  27  -9.217   4.501  -0.835
  189   2HB   ALA  27          2HB       ALA  27 -10.158   3.815  -2.159
  190   3HB   ALA  27          3HB       ALA  27  -9.078   2.785  -1.220
  191    H    GLY  28           H        GLY  28 -11.594   1.014  -0.955
  192   1HA   GLY  28          2HA       GLY  28 -14.138   0.727  -1.256
  193   2HA   GLY  28          1HA       GLY  28 -13.914   1.985  -2.459
  194    H    HIS  29           H        HIS  29 -11.623  -0.608  -1.833
  195    HA   HIS  29           HA       HIS  29 -12.463  -1.962  -4.284
  196   1HB   HIS  29          2HB       HIS  29  -9.586  -1.202  -3.755
  197   2HB   HIS  29          1HB       HIS  29 -10.228  -1.989  -5.193
  198    HD1  HIS  29           1HD      HIS  29 -12.397  -0.295  -6.166
  199    HD2  HIS  29           2HD      HIS  29  -9.030   1.360  -4.381
  200    HE1  HIS  29           1HE      HIS  29 -12.303   2.082  -6.982
  201    HE2  HIS  29           2HE      HIS  29 -10.203   3.033  -5.964
  202    H    ASN  30           H        ASN  30 -10.014  -3.611  -4.240
  203    HA   ASN  30           HA       ASN  30 -10.749  -5.315  -1.966
  204   1HB   ASN  30          2HB       ASN  30 -10.494  -5.898  -4.681
  205   2HB   ASN  30          1HB       ASN  30  -9.038  -6.570  -3.955
  206   1HD2  ASN  30          1HD2      ASN  30  -9.722  -7.556  -1.636
  207   2HD2  ASN  30          2HD2      ASN  30 -10.976  -8.737  -1.767
  208    H    GLY  31           H        GLY  31  -7.894  -4.242  -3.818
  209   1HA   GLY  31          2HA       GLY  31  -6.351  -3.700  -1.530
  210   2HA   GLY  31          1HA       GLY  31  -5.962  -5.318  -2.093
  211    H    GLY  32           H        GLY  32  -3.834  -4.693  -2.590
  212   1HA   GLY  32          2HA       GLY  32  -3.543  -3.646  -5.252
  213   2HA   GLY  32          1HA       GLY  32  -2.929  -2.556  -4.019
  214    H    THR  33           H        THR  33  -0.931  -2.980  -5.341
  215    HA   THR  33           HA       THR  33   0.511  -5.243  -4.146
  216    HB   THR  33           HB       THR  33   0.049  -5.975  -6.373
  217    HG1  THR  33           1HG      THR  33   2.660  -4.880  -6.424
  218   1HG2  THR  33          1HG2      THR  33   0.094  -3.263  -7.070
  219   2HG2  THR  33          2HG2      THR  33  -0.242  -4.648  -8.109
  220   3HG2  THR  33          3HG2      THR  33   1.405  -4.032  -7.964
  221    H    CYS  34           H        CYS  34   2.852  -4.969  -4.128
  222    HA   CYS  34           HA       CYS  34   3.576  -2.138  -3.826
  223   1HB   CYS  34          2HB       CYS  34   3.759  -3.809  -1.880
  224   2HB   CYS  34          1HB       CYS  34   5.141  -4.467  -2.741
  225    H    MET  35           H        MET  35   4.995  -1.239  -5.171
  226    HA   MET  35           HA       MET  35   6.813  -2.980  -6.690
  227   1HB   MET  35          2HB       MET  35   4.654  -1.346  -7.712
  228   2HB   MET  35          1HB       MET  35   6.197  -0.834  -8.383
  229   1HG   MET  35          2HG       MET  35   5.464  -3.728  -8.362
  230   2HG   MET  35          1HG       MET  35   4.798  -2.651  -9.588
  231   1HE   MET  35          1HE       MET  35   5.818  -4.816 -10.561
  232   2HE   MET  35          2HE       MET  35   7.521  -5.249 -10.412
  233   3HE   MET  35          3HE       MET  35   6.964  -4.329 -11.810
  234    H    PHE  36           H        PHE  36   8.680  -2.414  -5.654
  235    HA   PHE  36           HA       PHE  36  10.425  -1.150  -4.919
  236   1HB   PHE  36          2HB       PHE  36  10.786  -0.934  -7.292
  237   2HB   PHE  36          1HB       PHE  36   9.609   0.364  -7.394
  238    HD1  PHE  36           1HD      PHE  36  12.181  -0.001  -4.785
  239    HD2  PHE  36           2HD      PHE  36  10.975   2.058  -8.301
  240    HE1  PHE  36           1HE      PHE  36  13.982   1.640  -4.431
  241    HE2  PHE  36           2HE      PHE  36  12.773   3.705  -7.960
  242    HZ   PHE  36           HZ       PHE  36  14.279   3.497  -6.022
  243    H    PHE  37           H        PHE  37   8.674  -0.621  -3.170
  244    HA   PHE  37           HA       PHE  37   7.999   0.869  -1.600
  245   1HB   PHE  37          2HB       PHE  37   9.587   2.954  -3.097
  246   2HB   PHE  37          1HB       PHE  37   9.144   2.958  -1.392
  247    HD1  PHE  37           1HD      PHE  37   9.781   0.048  -0.836
  248    HD2  PHE  37           2HD      PHE  37  11.939   3.096  -2.876
  249    HE1  PHE  37           1HE      PHE  37  11.892  -1.084  -0.283
  250    HE2  PHE  37           2HE      PHE  37  14.056   1.966  -2.329
  251    HZ   PHE  37           HZ       PHE  37  14.032  -0.131  -1.032
  252    H    LYS  38           H        LYS  38   6.723   0.659  -4.418
  253    HA   LYS  38           HA       LYS  38   5.173   3.156  -4.308
  254   1HB   LYS  38          2HB       LYS  38   5.305   1.109  -6.532
  255   2HB   LYS  38          1HB       LYS  38   4.429   2.630  -6.578
  256   1HG   LYS  38          2HG       LYS  38   7.237   2.988  -5.927
  257   2HG   LYS  38          1HG       LYS  38   6.990   2.199  -7.486
  258   1HD   LYS  38          2HD       LYS  38   6.825   4.334  -8.216
  259   2HD   LYS  38          1HD       LYS  38   5.156   4.155  -7.670
  260   1HE   LYS  38          2HE       LYS  38   6.585   4.903  -5.395
  261   2HE   LYS  38          1HE       LYS  38   7.242   5.900  -6.693
  262   1HZ   LYS  38          1HZ       LYS  38   5.437   7.086  -5.814
  263   2HZ   LYS  38          2HZ       LYS  38   4.434   5.726  -5.774
  264   3HZ   LYS  38          3HZ       LYS  38   4.855   6.421  -7.257
  265    H    CYS  39           H        CYS  39   2.996   3.127  -3.970
  266    HA   CYS  39           HA       CYS  39   1.844   0.517  -3.253
  267   1HB   CYS  39          2HB       CYS  39   1.987   2.059  -1.371
  268   2HB   CYS  39          1HB       CYS  39   1.115   3.286  -2.282
  269    H    LYS  40           H        LYS  40   0.940  -0.137  -5.156
  270    HA   LYS  40           HA       LYS  40  -1.015   1.679  -6.402
  271   1HB   LYS  40          2HB       LYS  40   0.989   0.525  -7.685
  272   2HB   LYS  40          1HB       LYS  40  -0.110  -0.846  -7.721
  273   1HG   LYS  40          2HG       LYS  40  -1.768   0.455  -8.887
  274   2HG   LYS  40          1HG       LYS  40  -0.768   1.903  -8.754
  275   1HD   LYS  40          2HD       LYS  40  -0.330   1.173 -10.914
  276   2HD   LYS  40          1HD       LYS  40   1.014   0.496  -9.994
  277   1HE   LYS  40          2HE       LYS  40   0.454  -1.542 -10.671
  278   2HE   LYS  40          1HE       LYS  40  -1.125  -1.366  -9.908
  279   1HZ   LYS  40          1HZ       LYS  40  -2.089  -0.667 -11.872
  280   2HZ   LYS  40          2HZ       LYS  40  -1.002  -1.845 -12.414
  281   3HZ   LYS  40          3HZ       LYS  40  -0.618  -0.206 -12.570
  282    H    CYS  41           H        CYS  41  -2.988   0.575  -7.296
  283    HA   CYS  41           HA       CYS  41  -4.037  -1.228  -5.271
  284   1HB   CYS  41          2HB       CYS  41  -5.203   0.591  -7.320
  285   2HB   CYS  41          1HB       CYS  41  -6.164  -0.762  -6.772
  286    H    ALA  42           H        ALA  42  -5.940  -2.623  -6.503
  287    HA   ALA  42           HA       ALA  42  -4.654  -4.089  -8.701
  288   1HB   ALA  42          1HB       ALA  42  -4.080  -5.618  -7.135
  289   2HB   ALA  42          2HB       ALA  42  -5.739  -6.156  -7.393
  290   3HB   ALA  42          3HB       ALA  42  -5.351  -5.118  -6.020