*HEADER    TOXIN                                   30-MAY-05   1ZUE              
*TITLE     REVISED SOLUTION STRUCTURE OF DLP-2                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DEFENSIN-LIKE PEPTIDE 2/4;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: DLP-2;                                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED                                
*KEYWDS    HELIX, ANTIPARALLEL BETA-SHEET                                        
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.M.TORRES, C.TSAMPAZI, D.P.GERAGHTY, P.S.BANSAL,                     
*AUTHOR   2 P.F.ALEWOOD, P.W.KUCHEL                                              
*REVDAT   1   02-AUG-05 1ZUE    0                                                

remark input file: temp.dco                                          
remark output file: at.dco                                            
set echo=false end
set wrnlev=0 end
! range |i-j| =     0
assign (resid   2 and name HN    )(resid   2 and name HG*   )  0.00  0.00  6.68
assign (resid   3 and name HN    )(resid   3 and name HB2   )  0.00  0.00  4.31
assign (resid   3 and name HN    )(resid   3 and name HB1   )  0.00  0.00  4.31
assign (resid   3 and name HN    )(resid   3 and name HB*   )  0.00  0.00  3.78
assign (resid   4 and name HN    )(resid   4 and name HE*   )  0.00  0.00  7.92
assign (resid   5 and name HN    )(resid   5 and name HB2   )  0.00  0.00  3.72
assign (resid   5 and name HN    )(resid   5 and name HB1   )  0.00  0.00  3.72
assign (resid   5 and name HN    )(resid   5 and name HB*   )  0.00  0.00  3.45
assign (resid   5 and name HN    )(resid   5 and name HG*   )  0.00  0.00  5.53
assign (resid   6 and name HN    )(resid   6 and name HB2   )  0.00  0.00  3.23
assign (resid   6 and name HN    )(resid   6 and name HB*   )  0.00  0.00  2.94
assign (resid   6 and name HN    )(resid   6 and name HG2   )  0.00  0.00  4.03
assign (resid   6 and name HN    )(resid   6 and name HG1   )  0.00  0.00  4.03
assign (resid   6 and name HN    )(resid   6 and name HG*   )  0.00  0.00  3.71
assign (resid   7 and name HN    )(resid   7 and name HB*   )  0.00  0.00  3.91
assign (resid   7 and name HN    )(resid   7 and name HG*   )  0.00  0.00  5.16
assign (resid   8 and name HN    )(resid   8 and name HB*   )  0.00  0.00  3.94
assign (resid   9 and name HN    )(resid   9 and name HB2   )  0.00  0.00  3.01
assign (resid   9 and name HN    )(resid   9 and name HB1   )  0.00  0.00  3.01
assign (resid   9 and name HA    )(resid   9 and name HB2   )  0.00  0.00  3.20
assign (resid  10 and name HN    )(resid  10 and name HB2   )  0.00  0.00  3.54
assign (resid  10 and name HN    )(resid  10 and name HB1   )  0.00  0.00  3.54
assign (resid  10 and name HN    )(resid  10 and name HB*   )  0.00  0.00  3.28
assign (resid  10 and name HN    )(resid  10 and name HD1   )  0.00  0.00  3.88
assign (resid  10 and name HN    )(resid  10 and name HE3   )  0.00  0.00  4.16
assign (resid  10 and name HB2   )(resid  10 and name HD1   )  0.00  0.00  4.13
assign (resid  10 and name HB2   )(resid  10 and name HE3   )  0.00  0.00  3.75
assign (resid  10 and name HB1   )(resid  10 and name HD1   )  0.00  0.00  4.13
assign (resid  10 and name HB1   )(resid  10 and name HE3   )  0.00  0.00  3.75
assign (resid  10 and name HB*   )(resid  10 and name HE3   )  0.00  0.00  3.55
assign (resid  11 and name HN    )(resid  11 and name HB2   )  0.00  0.00  3.44
assign (resid  11 and name HN    )(resid  11 and name HB1   )  0.00  0.00  3.44
assign (resid  11 and name HN    )(resid  11 and name HB*   )  0.00  0.00  3.21
assign (resid  11 and name HA    )(resid  11 and name HB2   )  0.00  0.00  3.04
assign (resid  11 and name HA    )(resid  11 and name HB1   )  0.00  0.00  3.04
assign (resid  12 and name HN    )(resid  12 and name HB2   )  0.00  0.00  3.72
assign (resid  12 and name HN    )(resid  12 and name HB1   )  0.00  0.00  3.72
assign (resid  12 and name HN    )(resid  12 and name HB*   )  0.00  0.00  3.42
assign (resid  13 and name HN    )(resid  13 and name HA    )  0.00  0.00  2.79
assign (resid  15 and name HN    )(resid  15 and name HB    )  0.00  0.00  3.16
assign (resid  15 and name HN    )(resid  15 and name HG1*  )  0.00  0.00  4.87
assign (resid  15 and name HN    )(resid  15 and name HG2*  )  0.00  0.00  4.87
assign (resid  15 and name HN    )(resid  15 and name HG*   )  0.00  0.00  4.50
assign (resid  15 and name HA    )(resid  15 and name HB    )  0.00  0.00  3.32
assign (resid  16 and name HN    )(resid  16 and name HB2   )  0.00  0.00  3.29
assign (resid  17 and name HN    )(resid  17 and name HB2   )  0.00  0.00  3.91
assign (resid  17 and name HN    )(resid  17 and name HB1   )  0.00  0.00  3.91
assign (resid  17 and name HN    )(resid  17 and name HB*   )  0.00  0.00  3.50
assign (resid  17 and name HN    )(resid  17 and name HG*   )  0.00  0.00  5.13
assign (resid  17 and name HN    )(resid  17 and name HD2   )  0.00  0.00  5.80
assign (resid  17 and name HN    )(resid  17 and name HD1   )  0.00  0.00  5.80
assign (resid  17 and name HB2   )(resid  17 and name HE    )  0.00  0.00  5.80
assign (resid  17 and name HB1   )(resid  17 and name HE    )  0.00  0.00  5.80
assign (resid  17 and name HB*   )(resid  17 and name HE    )  0.00  0.00  5.48
assign (resid  18 and name HN    )(resid  18 and name HB*   )  0.00  0.00  3.79
assign (resid  19 and name HN    )(resid  19 and name HA    )  0.00  0.00  3.16
assign (resid  19 and name HN    )(resid  19 and name HB*   )  0.00  0.00  3.98
assign (resid  19 and name HN    )(resid  19 and name HG2   )  0.00  0.00  3.94
assign (resid  19 and name HN    )(resid  19 and name HG1   )  0.00  0.00  3.94
assign (resid  19 and name HN    )(resid  19 and name HG*   )  0.00  0.00  3.68
assign (resid  19 and name HN    )(resid  19 and name HD*   )  0.00  0.00  5.68
assign (resid  19 and name HN    )(resid  19 and name HZ*   )  0.00  0.00  6.61
assign (resid  19 and name HA    )(resid  19 and name HG2   )  0.00  0.00  4.31
assign (resid  19 and name HA    )(resid  19 and name HG1   )  0.00  0.00  4.31
assign (resid  19 and name HA    )(resid  19 and name HG*   )  0.00  0.00  4.04
assign (resid  19 and name HA    )(resid  19 and name HD*   )  0.00  0.00  5.81
assign (resid  19 and name HB*   )(resid  19 and name HE*   )  0.00  0.00  7.55
assign (resid  20 and name HN    )(resid  20 and name HB2   )  0.00  0.00  3.16
assign (resid  20 and name HN    )(resid  20 and name HB1   )  0.00  0.00  3.16
assign (resid  20 and name HA    )(resid  20 and name HB2   )  0.00  0.00  2.95
assign (resid  20 and name HA    )(resid  20 and name HB1   )  0.00  0.00  2.95
assign (resid  21 and name HN    )(resid  21 and name HA    )  0.00  0.00  3.07
assign (resid  21 and name HN    )(resid  21 and name HB2   )  0.00  0.00  3.07
assign (resid  21 and name HN    )(resid  21 and name HB1   )  0.00  0.00  3.07
assign (resid  21 and name HN    )(resid  21 and name HG2   )  0.00  0.00  4.22
assign (resid  21 and name HN    )(resid  21 and name HG1   )  0.00  0.00  4.22
assign (resid  21 and name HA    )(resid  21 and name HB2   )  0.00  0.00  3.13
assign (resid  21 and name HA    )(resid  21 and name HB1   )  0.00  0.00  3.13
assign (resid  21 and name HA    )(resid  21 and name HB*   )  0.00  0.00  2.91
assign (resid  21 and name HA    )(resid  21 and name HG*   )  0.00  0.00  4.08
assign (resid  22 and name HN    )(resid  22 and name HB2   )  0.00  0.00  3.29
assign (resid  22 and name HN    )(resid  22 and name HB1   )  0.00  0.00  3.29
assign (resid  22 and name HN    )(resid  22 and name HB*   )  0.00  0.00  3.06
assign (resid  22 and name HN    )(resid  22 and name HG2   )  0.00  0.00  3.85
assign (resid  22 and name HN    )(resid  22 and name HG1   )  0.00  0.00  3.85
assign (resid  22 and name HN    )(resid  22 and name HG*   )  0.00  0.00  3.58
assign (resid  22 and name HN    )(resid  22 and name HD*   )  0.00  0.00  6.68
assign (resid  22 and name HA    )(resid  22 and name HB2   )  0.00  0.00  3.32
assign (resid  22 and name HA    )(resid  22 and name HB1   )  0.00  0.00  3.32
assign (resid  22 and name HA    )(resid  22 and name HB*   )  0.00  0.00  2.99
assign (resid  22 and name HA    )(resid  22 and name HG2   )  0.00  0.00  3.97
assign (resid  22 and name HA    )(resid  22 and name HG1   )  0.00  0.00  3.97
assign (resid  22 and name HA    )(resid  22 and name HG*   )  0.00  0.00  3.71
assign (resid  22 and name HA    )(resid  22 and name HD*   )  0.00  0.00  6.37
assign (resid  22 and name HA    )(resid  22 and name HE    )  0.00  0.00  5.80
assign (resid  23 and name HN    )(resid  23 and name HB2   )  0.00  0.00  3.26
assign (resid  23 and name HN    )(resid  23 and name HB1   )  0.00  0.00  3.26
assign (resid  23 and name HN    )(resid  23 and name HB*   )  0.00  0.00  3.04
assign (resid  23 and name HN    )(resid  23 and name HD2*  )  0.00  0.00  6.67
assign (resid  24 and name HN    )(resid  24 and name HB2   )  0.00  0.00  3.44
assign (resid  24 and name HN    )(resid  24 and name HB1   )  0.00  0.00  3.44
assign (resid  24 and name HN    )(resid  24 and name HB*   )  0.00  0.00  3.17
assign (resid  25 and name HN    )(resid  25 and name HB2   )  0.00  0.00  4.00
assign (resid  25 and name HN    )(resid  25 and name HB1   )  0.00  0.00  4.00
assign (resid  25 and name HN    )(resid  25 and name HB*   )  0.00  0.00  3.72
assign (resid  25 and name HN    )(resid  25 and name HG2   )  0.00  0.00  5.74
assign (resid  25 and name HN    )(resid  25 and name HG1   )  0.00  0.00  5.74
assign (resid  25 and name HN    )(resid  25 and name HG*   )  0.00  0.00  5.11
assign (resid  25 and name HN    )(resid  25 and name HD*   )  0.00  0.00  5.16
assign (resid  25 and name HN    )(resid  25 and name HE*   )  0.00  0.00  6.68
assign (resid  25 and name HB2   )(resid  25 and name HE*   )  0.00  0.00  5.37
assign (resid  25 and name HB1   )(resid  25 and name HE*   )  0.00  0.00  5.37
assign (resid  27 and name HN    )(resid  27 and name HB2   )  0.00  0.00  3.54
assign (resid  27 and name HN    )(resid  27 and name HB1   )  0.00  0.00  3.54
assign (resid  27 and name HN    )(resid  27 and name HB*   )  0.00  0.00  3.21
assign (resid  27 and name HN    )(resid  27 and name HG*   )  0.00  0.00  5.28
assign (resid  27 and name HN    )(resid  27 and name HE*   )  0.00  0.00  6.83
assign (resid  28 and name HN    )(resid  28 and name HB*   )  0.00  0.00  3.82
assign (resid  29 and name HN    )(resid  29 and name HA    )  0.00  0.00  2.92
assign (resid  29 and name HN    )(resid  29 and name HB2   )  0.00  0.00  3.72
assign (resid  29 and name HN    )(resid  29 and name HB1   )  0.00  0.00  3.72
assign (resid  29 and name HN    )(resid  29 and name HB*   )  0.00  0.00  3.54
assign (resid  29 and name HN    )(resid  29 and name HE3   )  0.00  0.00  4.44
assign (resid  29 and name HN    )(resid  29 and name HD1   )  0.00  0.00  5.80
assign (resid  29 and name HA    )(resid  29 and name HB2   )  0.00  0.00  3.13
assign (resid  29 and name HA    )(resid  29 and name HB1   )  0.00  0.00  3.13
assign (resid  29 and name HA    )(resid  29 and name HD1   )  0.00  0.00  5.80
assign (resid  29 and name HA    )(resid  29 and name HE3   )  0.00  0.00  3.94
assign (resid  29 and name HB2   )(resid  29 and name HD1   )  0.00  0.00  4.03
assign (resid  29 and name HB2   )(resid  29 and name HE3   )  0.00  0.00  4.41
assign (resid  29 and name HB1   )(resid  29 and name HD1   )  0.00  0.00  4.03
assign (resid  29 and name HB1   )(resid  29 and name HE3   )  0.00  0.00  4.41
assign (resid  29 and name HB*   )(resid  29 and name HD1   )  0.00  0.00  3.74
assign (resid  30 and name HN    )(resid  30 and name HG2*  )  0.00  0.00  5.59
assign (resid  30 and name HN    )(resid  30 and name HG1   )  0.00  0.00  4.80
assign (resid  31 and name HN    )(resid  31 and name HB2   )  0.00  0.00  4.09
assign (resid  31 and name HN    )(resid  31 and name HB1   )  0.00  0.00  4.09
assign (resid  31 and name HN    )(resid  31 and name HB*   )  0.00  0.00  3.82
assign (resid  31 and name HN    )(resid  31 and name HE*   )  0.00  0.00  7.93
assign (resid  31 and name HA    )(resid  31 and name HB2   )  0.00  0.00  3.10
assign (resid  31 and name HA    )(resid  31 and name HB1   )  0.00  0.00  3.10
assign (resid  32 and name HN    )(resid  32 and name HB1   )  0.00  0.00  3.44
assign (resid  33 and name HN    )(resid  33 and name HB*   )  0.00  0.00  3.98
assign (resid  33 and name HN    )(resid  33 and name HG*   )  0.00  0.00  5.31
assign (resid  34 and name HN    )(resid  34 and name HB2   )  0.00  0.00  2.98
assign (resid  34 and name HN    )(resid  34 and name HB1   )  0.00  0.00  2.98
assign (resid  34 and name HN    )(resid  34 and name HB*   )  0.00  0.00  2.76
assign (resid  34 and name HN    )(resid  34 and name HD21  )  0.00  0.00  5.80
assign (resid  34 and name HN    )(resid  34 and name HD22  )  0.00  0.00  5.80
assign (resid  34 and name HN    )(resid  34 and name HD2*  )  0.00  0.00  5.61
assign (resid  35 and name HN    )(resid  35 and name HB2   )  0.00  0.00  3.23
assign (resid  35 and name HN    )(resid  35 and name HB1   )  0.00  0.00  3.23
assign (resid  35 and name HN    )(resid  35 and name HB*   )  0.00  0.00  3.03
assign (resid  35 and name HN    )(resid  35 and name HG2   )  0.00  0.00  4.28
assign (resid  35 and name HN    )(resid  35 and name HG1   )  0.00  0.00  4.28
assign (resid  35 and name HN    )(resid  35 and name HG*   )  0.00  0.00  3.92
assign (resid  35 and name HN    )(resid  35 and name HD*   )  0.00  0.00  6.68
assign (resid  35 and name HN    )(resid  35 and name HE    )  0.00  0.00  5.80
assign (resid  35 and name HA    )(resid  35 and name HB2   )  0.00  0.00  3.16
assign (resid  35 and name HA    )(resid  35 and name HB1   )  0.00  0.00  3.16
assign (resid  35 and name HA    )(resid  35 and name HD2   )  0.00  0.00  5.80
assign (resid  35 and name HA    )(resid  35 and name HD1   )  0.00  0.00  5.80
assign (resid  35 and name HA    )(resid  35 and name HD*   )  0.00  0.00  5.17
assign (resid  36 and name HN    )(resid  36 and name HB2   )  0.00  0.00  3.01
assign (resid  36 and name HN    )(resid  36 and name HB1   )  0.00  0.00  3.01
assign (resid  36 and name HN    )(resid  36 and name HB*   )  0.00  0.00  2.77
assign (resid  36 and name HN    )(resid  36 and name HD21  )  0.00  0.00  5.80
assign (resid  36 and name HN    )(resid  36 and name HD22  )  0.00  0.00  5.80
assign (resid  36 and name HN    )(resid  36 and name HD2*  )  0.00  0.00  5.35
assign (resid  36 and name HA    )(resid  36 and name HB*   )  0.00  0.00  3.04
assign (resid  37 and name HN    )(resid  37 and name HB2   )  0.00  0.00  3.23
assign (resid  37 and name HN    )(resid  37 and name HB1   )  0.00  0.00  3.23
assign (resid  37 and name HN    )(resid  37 and name HG2   )  0.00  0.00  5.00
assign (resid  37 and name HN    )(resid  37 and name HG1   )  0.00  0.00  4.25
assign (resid  37 and name HA    )(resid  37 and name HB2   )  0.00  0.00  3.23
assign (resid  37 and name HA    )(resid  37 and name HB1   )  0.00  0.00  3.23
assign (resid  37 and name HA    )(resid  37 and name HB*   )  0.00  0.00  3.03
assign (resid  37 and name HA    )(resid  37 and name HG2   )  0.00  0.00  3.97
assign (resid  37 and name HA    )(resid  37 and name HG1   )  0.00  0.00  3.97
assign (resid  37 and name HA    )(resid  37 and name HG*   )  0.00  0.00  3.46
assign (resid  37 and name HG2   )(resid  37 and name HE21  )  0.00  0.00  4.31
assign (resid  37 and name HG2   )(resid  37 and name HE22  )  0.00  0.00  4.31
assign (resid  37 and name HG1   )(resid  37 and name HE21  )  0.00  0.00  4.31
assign (resid  37 and name HG1   )(resid  37 and name HE22  )  0.00  0.00  4.31
assign (resid  37 and name HG*   )(resid  37 and name HE2*  )  0.00  0.00  3.52
assign (resid  38 and name HN    )(resid  38 and name HB2   )  0.00  0.00  3.66
assign (resid  38 and name HN    )(resid  38 and name HB1   )  0.00  0.00  3.66
assign (resid  38 and name HN    )(resid  38 and name HB*   )  0.00  0.00  3.18
assign (resid  38 and name HN    )(resid  38 and name HG2   )  0.00  0.00  3.69
assign (resid  38 and name HN    )(resid  38 and name HG1   )  0.00  0.00  3.69
assign (resid  38 and name HN    )(resid  38 and name HG*   )  0.00  0.00  3.33
assign (resid  38 and name HN    )(resid  38 and name HD2   )  0.00  0.00  5.80
assign (resid  38 and name HN    )(resid  38 and name HD1   )  0.00  0.00  5.80
assign (resid  38 and name HN    )(resid  38 and name HE2   )  0.00  0.00  5.80
assign (resid  38 and name HN    )(resid  38 and name HE1   )  0.00  0.00  5.80
assign (resid  38 and name HN    )(resid  38 and name HE*   )  0.00  0.00  5.24
assign (resid  38 and name HA    )(resid  38 and name HD*   )  0.00  0.00  6.68
assign (resid  38 and name HB2   )(resid  38 and name HE2   )  0.00  0.00  5.13
assign (resid  38 and name HB2   )(resid  38 and name HE1   )  0.00  0.00  5.13
assign (resid  38 and name HB1   )(resid  38 and name HE2   )  0.00  0.00  5.13
assign (resid  38 and name HB1   )(resid  38 and name HE1   )  0.00  0.00  5.13
assign (resid  38 and name HB*   )(resid  38 and name HD*   )  0.00  0.00  3.93
assign (resid  38 and name HB*   )(resid  38 and name HE*   )  0.00  0.00  3.96
assign (resid  38 and name HB*   )(resid  38 and name HZ*   )  0.00  0.00  7.49
assign (resid  38 and name HG2   )(resid  38 and name HE2   )  0.00  0.00  3.88
assign (resid  38 and name HG2   )(resid  38 and name HE1   )  0.00  0.00  3.88
assign (resid  38 and name HG2   )(resid  38 and name HZ*   )  0.00  0.00  6.61
assign (resid  38 and name HG1   )(resid  38 and name HE2   )  0.00  0.00  3.88
assign (resid  38 and name HG1   )(resid  38 and name HE1   )  0.00  0.00  3.88
assign (resid  38 and name HG1   )(resid  38 and name HZ*   )  0.00  0.00  6.61
assign (resid  38 and name HG*   )(resid  38 and name HE*   )  0.00  0.00  3.45
assign (resid  39 and name HN    )(resid  39 and name HB2   )  0.00  0.00  3.07
assign (resid  39 and name HN    )(resid  39 and name HB1   )  0.00  0.00  3.07
assign (resid  40 and name HN    )(resid  40 and name HB2   )  0.00  0.00  3.38
assign (resid  40 and name HN    )(resid  40 and name HB1   )  0.00  0.00  3.38
assign (resid  40 and name HN    )(resid  40 and name HB*   )  0.00  0.00  3.09
assign (resid  40 and name HA    )(resid  40 and name HB2   )  0.00  0.00  3.23
assign (resid  40 and name HA    )(resid  40 and name HB1   )  0.00  0.00  3.23
assign (resid  40 and name HA    )(resid  40 and name HB*   )  0.00  0.00  2.97
assign (resid  41 and name HN    )(resid  41 and name HB2   )  0.00  0.00  3.29
assign (resid  41 and name HN    )(resid  41 and name HB1   )  0.00  0.00  3.29
assign (resid  41 and name HN    )(resid  41 and name HB*   )  0.00  0.00  3.05
assign (resid  41 and name HN    )(resid  41 and name HG2   )  0.00  0.00  4.59
assign (resid  41 and name HN    )(resid  41 and name HG1   )  0.00  0.00  4.59
assign (resid  41 and name HN    )(resid  41 and name HG*   )  0.00  0.00  4.05
assign (resid  41 and name HA    )(resid  41 and name HB2   )  0.00  0.00  3.35
assign (resid  41 and name HA    )(resid  41 and name HB1   )  0.00  0.00  3.35
assign (resid  41 and name HA    )(resid  41 and name HB*   )  0.00  0.00  3.00
assign (resid  41 and name HA    )(resid  41 and name HG2   )  0.00  0.00  4.03
assign (resid  41 and name HA    )(resid  41 and name HG1   )  0.00  0.00  4.03
assign (resid  41 and name HA    )(resid  41 and name HG*   )  0.00  0.00  3.78
assign (resid  42 and name HN    )(resid  42 and name HB2   )  0.00  0.00  3.69
assign (resid  42 and name HN    )(resid  42 and name HB1   )  0.00  0.00  3.69
assign (resid  42 and name HN    )(resid  42 and name HB*   )  0.00  0.00  3.45
assign (resid  42 and name HA    )(resid  42 and name HB2   )  0.00  0.00  2.95
assign (resid  42 and name HA    )(resid  42 and name HB1   )  0.00  0.00  2.95
assign (resid  17 and name HA    )(resid  17 and name HN    )  0.00  0.00  4.00
assign (resid  25 and name HN    )(resid  25 and name HA    )  0.00  0.00  4.00
assign (resid  38 and name HN    )(resid  38 and name HA    )  0.00  0.00  3.50
assign (resid  23 and name HN    )(resid  23 and name HA    )  0.00  0.00  4.00
assign (resid  18 and name HN    )(resid  18 and name HA    )  0.00  0.00  4.00
assign (resid  32 and name HA    )(resid  32 and name HN    )  0.00  0.00  3.00
! total in this range:    242
! range |i-j| =     1
assign (resid   1 and name HA    )(resid   2 and name HN    )  0.00  0.00  3.29
assign (resid   1 and name HB    )(resid   2 and name HN    )  0.00  0.00  4.62
assign (resid   2 and name HN    )(resid   3 and name HN    )  0.00  0.00  5.18
assign (resid   2 and name HA    )(resid   3 and name HN    )  0.00  0.00  3.04
assign (resid   3 and name HN    )(resid   4 and name HN    )  0.00  0.00  3.85
assign (resid   3 and name HA    )(resid   4 and name HN    )  0.00  0.00  3.91
assign (resid   3 and name HB2   )(resid   4 and name HN    )  0.00  0.00  4.99
assign (resid   3 and name HB1   )(resid   4 and name HN    )  0.00  0.00  4.99
assign (resid   3 and name HB*   )(resid   4 and name HN    )  0.00  0.00  4.79
assign (resid   4 and name HN    )(resid   5 and name HN    )  0.00  0.00  4.19
assign (resid   4 and name HA    )(resid   5 and name HN    )  0.00  0.00  3.29
assign (resid   4 and name HB*   )(resid   5 and name HN    )  0.00  0.00  4.82
assign (resid   4 and name HD*   )(resid   5 and name HN    )  0.00  0.00  7.92
assign (resid   5 and name HN    )(resid   6 and name HN    )  0.00  0.00  3.78
assign (resid   5 and name HA    )(resid   6 and name HN    )  0.00  0.00  2.79
assign (resid   5 and name HB*   )(resid   6 and name HN    )  0.00  0.00  4.54
assign (resid   5 and name HG*   )(resid   6 and name HN    )  0.00  0.00  6.43
assign (resid   7 and name HA    )(resid   8 and name HN    )  0.00  0.00  3.75
assign (resid   7 and name HG*   )(resid   8 and name HN    )  0.00  0.00  6.65
assign (resid   8 and name HN    )(resid   9 and name HN    )  0.00  0.00  4.99
assign (resid   8 and name HA    )(resid   9 and name HN    )  0.00  0.00  3.23
assign (resid   8 and name HB*   )(resid   9 and name HN    )  0.00  0.00  4.69
assign (resid   9 and name HN    )(resid  10 and name HN    )  0.00  0.00  3.75
assign (resid   9 and name HB2   )(resid  10 and name HN    )  0.00  0.00  3.85
assign (resid   9 and name HB1   )(resid  10 and name HN    )  0.00  0.00  3.85
assign (resid   9 and name HB*   )(resid  10 and name HN    )  0.00  0.00  3.52
assign (resid  10 and name HN    )(resid  11 and name HN    )  0.00  0.00  3.41
assign (resid  10 and name HB2   )(resid  11 and name HN    )  0.00  0.00  4.53
assign (resid  10 and name HB1   )(resid  11 and name HN    )  0.00  0.00  4.53
assign (resid  10 and name HB*   )(resid  11 and name HN    )  0.00  0.00  4.31
assign (resid  10 and name HB*   )(resid  11 and name HB*   )  0.00  0.00  7.30
assign (resid  10 and name HE3   )(resid  11 and name HA    )  0.00  0.00  4.16
assign (resid  10 and name HE3   )(resid  11 and name HB*   )  0.00  0.00  6.68
assign (resid  10 and name HZ3   )(resid  11 and name HA    )  0.00  0.00  5.24
assign (resid  11 and name HN    )(resid  12 and name HN    )  0.00  0.00  3.16
assign (resid  11 and name HA    )(resid  12 and name HN    )  0.00  0.00  3.63
assign (resid  11 and name HB*   )(resid  12 and name HD2   )  0.00  0.00  6.12
assign (resid  12 and name HN    )(resid  13 and name HN    )  0.00  0.00  3.04
assign (resid  12 and name HB2   )(resid  13 and name HN    )  0.00  0.00  4.53
assign (resid  12 and name HB1   )(resid  13 and name HN    )  0.00  0.00  4.53
assign (resid  12 and name HB*   )(resid  13 and name HN    )  0.00  0.00  4.28
assign (resid  13 and name HN    )(resid  14 and name HN    )  0.00  0.00  3.32
assign (resid  13 and name HA    )(resid  14 and name HN    )  0.00  0.00  3.66
assign (resid  14 and name HN    )(resid  15 and name HN    )  0.00  0.00  4.28
assign (resid  14 and name HA2   )(resid  15 and name HN    )  0.00  0.00  3.94
assign (resid  14 and name HA1   )(resid  15 and name HN    )  0.00  0.00  3.94
assign (resid  14 and name HA*   )(resid  15 and name HN    )  0.00  0.00  3.47
assign (resid  15 and name HN    )(resid  16 and name HN    )  0.00  0.00  4.93
assign (resid  15 and name HA    )(resid  14 and name HN    )  0.00  0.00  4.80
assign (resid  15 and name HA    )(resid  16 and name HN    )  0.00  0.00  2.76
assign (resid  15 and name HB    )(resid  16 and name HN    )  0.00  0.00  4.28
assign (resid  15 and name HB    )(resid  16 and name HA    )  0.00  0.00  4.75
assign (resid  15 and name HG1*  )(resid  16 and name HN    )  0.00  0.00  4.94
assign (resid  15 and name HG2*  )(resid  16 and name HN    )  0.00  0.00  4.94
assign (resid  15 and name HG*   )(resid  16 and name HN    )  0.00  0.00  4.60
assign (resid  16 and name HN    )(resid  17 and name HN    )  0.00  0.00  4.10
assign (resid  16 and name HA    )(resid  17 and name HN    )  0.00  0.00  2.98
assign (resid  16 and name HA    )(resid  17 and name HB*   )  0.00  0.00  5.38
assign (resid  16 and name HA    )(resid  17 and name HG*   )  0.00  0.00  4.80
assign (resid  16 and name HB2   )(resid  17 and name HN    )  0.00  0.00  4.50
assign (resid  16 and name HB1   )(resid  17 and name HN    )  0.00  0.00  4.50
assign (resid  16 and name HB*   )(resid  17 and name HN    )  0.00  0.00  4.30
assign (resid  17 and name HN    )(resid  18 and name HN    )  0.00  0.00  5.30
assign (resid  17 and name HB2   )(resid  18 and name HN    )  0.00  0.00  3.66
assign (resid  17 and name HB2   )(resid  18 and name HB*   )  0.00  0.00  6.68
assign (resid  17 and name HB1   )(resid  18 and name HN    )  0.00  0.00  3.66
assign (resid  17 and name HB1   )(resid  18 and name HB*   )  0.00  0.00  6.68
assign (resid  17 and name HB*   )(resid  18 and name HN    )  0.00  0.00  3.33
assign (resid  17 and name HB*   )(resid  18 and name HB*   )  0.00  0.00  6.07
assign (resid  17 and name HG*   )(resid  18 and name HN    )  0.00  0.00  6.27
assign (resid  17 and name HG*   )(resid  18 and name HB*   )  0.00  0.00  7.55
assign (resid  17 and name HD*   )(resid  18 and name HN    )  0.00  0.00  6.68
assign (resid  18 and name HN    )(resid  19 and name HN    )  0.00  0.00  4.50
assign (resid  18 and name HA    )(resid  19 and name HN    )  0.00  0.00  2.98
assign (resid  18 and name HB*   )(resid  19 and name HN    )  0.00  0.00  4.51
assign (resid  18 and name HB*   )(resid  19 and name HA    )  0.00  0.00  6.12
assign (resid  18 and name HB*   )(resid  19 and name HB*   )  0.00  0.00  7.55
assign (resid  19 and name HN    )(resid  20 and name HN    )  0.00  0.00  3.75
assign (resid  19 and name HA    )(resid  20 and name HN    )  0.00  0.00  3.82
assign (resid  19 and name HB*   )(resid  20 and name HN    )  0.00  0.00  4.41
assign (resid  19 and name HG2   )(resid  20 and name HN    )  0.00  0.00  5.43
assign (resid  19 and name HG1   )(resid  20 and name HN    )  0.00  0.00  5.43
assign (resid  19 and name HG*   )(resid  20 and name HN    )  0.00  0.00  5.24
assign (resid  19 and name HE*   )(resid  20 and name HA    )  0.00  0.00  6.68
assign (resid  20 and name HN    )(resid  21 and name HN    )  0.00  0.00  3.07
assign (resid  20 and name HA    )(resid  21 and name HN    )  0.00  0.00  3.54
assign (resid  20 and name HB2   )(resid  21 and name HN    )  0.00  0.00  4.22
assign (resid  20 and name HB1   )(resid  21 and name HN    )  0.00  0.00  4.22
assign (resid  20 and name HB*   )(resid  21 and name HN    )  0.00  0.00  4.01
assign (resid  21 and name HN    )(resid  22 and name HN    )  0.00  0.00  4.37
assign (resid  21 and name HA    )(resid  22 and name HN    )  0.00  0.00  2.70
assign (resid  21 and name HA    )(resid  22 and name HB*   )  0.00  0.00  6.68
assign (resid  21 and name HB2   )(resid  22 and name HN    )  0.00  0.00  4.00
assign (resid  21 and name HG2   )(resid  22 and name HN    )  0.00  0.00  5.80
assign (resid  21 and name HG1   )(resid  22 and name HN    )  0.00  0.00  5.80
assign (resid  21 and name HG*   )(resid  22 and name HN    )  0.00  0.00  5.40
assign (resid  22 and name HN    )(resid  23 and name HN    )  0.00  0.00  3.04
assign (resid  22 and name HA    )(resid  23 and name HN    )  0.00  0.00  3.35
assign (resid  22 and name HB2   )(resid  23 and name HN    )  0.00  0.00  3.69
assign (resid  22 and name HB1   )(resid  23 and name HN    )  0.00  0.00  4.10
assign (resid  22 and name HG*   )(resid  23 and name HN    )  0.00  0.00  6.68
assign (resid  22 and name HD*   )(resid  23 and name HN    )  0.00  0.00  6.68
assign (resid  23 and name HN    )(resid  24 and name HN    )  0.00  0.00  3.57
assign (resid  26 and name HA    )(resid  27 and name HN    )  0.00  0.00  2.98
assign (resid  26 and name HB*   )(resid  27 and name HN    )  0.00  0.00  4.32
assign (resid  27 and name HN    )(resid  28 and name HN    )  0.00  0.00  4.87
assign (resid  27 and name HA    )(resid  28 and name HN    )  0.00  0.00  2.92
assign (resid  27 and name HA    )(resid  28 and name HA    )  0.00  0.00  5.80
assign (resid  27 and name HA    )(resid  28 and name HB*   )  0.00  0.00  5.25
assign (resid  27 and name HB2   )(resid  28 and name HN    )  0.00  0.00  5.80
assign (resid  27 and name HB1   )(resid  28 and name HN    )  0.00  0.00  5.80
assign (resid  27 and name HG*   )(resid  28 and name HN    )  0.00  0.00  6.68
assign (resid  28 and name HN    )(resid  29 and name HN    )  0.00  0.00  4.47
assign (resid  28 and name HN    )(resid  29 and name HD1   )  0.00  0.00  5.74
assign (resid  28 and name HA    )(resid  29 and name HN    )  0.00  0.00  3.04
assign (resid  28 and name HA    )(resid  29 and name HA    )  0.00  0.00  5.80
assign (resid  28 and name HA    )(resid  29 and name HD1   )  0.00  0.00  5.80
assign (resid  28 and name HB*   )(resid  29 and name HA    )  0.00  0.00  5.96
assign (resid  28 and name HB*   )(resid  29 and name HB*   )  0.00  0.00  6.78
assign (resid  28 and name HB*   )(resid  29 and name HD1   )  0.00  0.00  4.22
assign (resid  28 and name HB*   )(resid  29 and name HE3   )  0.00  0.00  6.83
assign (resid  28 and name HB*   )(resid  29 and name HE1   )  0.00  0.00  5.84
assign (resid  28 and name HB*   )(resid  29 and name HZ2   )  0.00  0.00  6.77
assign (resid  29 and name HE3   )(resid  30 and name HG2*  )  0.00  0.00  6.83
assign (resid  30 and name HN    )(resid  29 and name HB2   )  0.00  0.00  4.80
assign (resid  30 and name HN    )(resid  29 and name HB1   )  0.00  0.00  4.80
assign (resid  30 and name HN    )(resid  29 and name HN    )  0.00  0.00  3.30
assign (resid  30 and name HN    )(resid  29 and name HA    )  0.00  0.00  3.80
assign (resid  30 and name HB    )(resid  31 and name HN    )  0.00  0.00  3.97
assign (resid  30 and name HG2*  )(resid  31 and name HN    )  0.00  0.00  5.46
assign (resid  30 and name HG2*  )(resid  31 and name HB*   )  0.00  0.00  7.71
assign (resid  30 and name HG1   )(resid  31 and name HN    )  0.00  0.00  3.60
assign (resid  30 and name HG1   )(resid  31 and name HD*   )  0.00  0.00  7.94
assign (resid  31 and name HN    )(resid  32 and name HN    )  0.00  0.00  4.93
assign (resid  31 and name HA    )(resid  32 and name HN    )  0.00  0.00  3.07
assign (resid  31 and name HD*   )(resid  32 and name HN    )  0.00  0.00  7.32
assign (resid  32 and name HB2   )(resid  33 and name HN    )  0.00  0.00  3.72
assign (resid  32 and name HB1   )(resid  33 and name HN    )  0.00  0.00  3.72
assign (resid  32 and name HB*   )(resid  33 and name HN    )  0.00  0.00  3.40
assign (resid  33 and name HN    )(resid  34 and name HN    )  0.00  0.00  3.54
assign (resid  33 and name HB*   )(resid  34 and name HN    )  0.00  0.00  4.32
assign (resid  34 and name HB2   )(resid  35 and name HN    )  0.00  0.00  4.50
assign (resid  34 and name HB1   )(resid  35 and name HN    )  0.00  0.00  4.00
assign (resid  35 and name HN    )(resid  36 and name HN    )  0.00  0.00  3.57
assign (resid  35 and name HA    )(resid  36 and name HN    )  0.00  0.00  3.44
assign (resid  35 and name HB2   )(resid  36 and name HN    )  0.00  0.00  4.19
assign (resid  35 and name HB1   )(resid  36 and name HN    )  0.00  0.00  4.19
assign (resid  35 and name HB*   )(resid  36 and name HN    )  0.00  0.00  3.96
assign (resid  35 and name HG*   )(resid  36 and name HN    )  0.00  0.00  6.68
assign (resid  36 and name HN    )(resid  37 and name HN    )  0.00  0.00  2.95
assign (resid  36 and name HN    )(resid  37 and name HB2   )  0.00  0.00  4.53
assign (resid  36 and name HN    )(resid  37 and name HB1   )  0.00  0.00  4.53
assign (resid  36 and name HN    )(resid  37 and name HB*   )  0.00  0.00  4.15
assign (resid  37 and name HN    )(resid  38 and name HN    )  0.00  0.00  4.65
assign (resid  37 and name HA    )(resid  38 and name HN    )  0.00  0.00  3.01
assign (resid  37 and name HB*   )(resid  38 and name HN    )  0.00  0.00  4.35
assign (resid  37 and name HG2   )(resid  38 and name HN    )  0.00  0.00  4.56
assign (resid  37 and name HG1   )(resid  38 and name HN    )  0.00  0.00  4.56
assign (resid  37 and name HG*   )(resid  38 and name HN    )  0.00  0.00  4.39
assign (resid  38 and name HN    )(resid  39 and name HN    )  0.00  0.00  4.63
assign (resid  38 and name HB2   )(resid  39 and name HN    )  0.00  0.00  3.32
assign (resid  38 and name HB1   )(resid  39 and name HN    )  0.00  0.00  3.32
assign (resid  38 and name HB*   )(resid  39 and name HN    )  0.00  0.00  2.99
assign (resid  38 and name HG*   )(resid  39 and name HN    )  0.00  0.00  6.09
assign (resid  38 and name HD*   )(resid  39 and name HN    )  0.00  0.00  5.90
assign (resid  39 and name HN    )(resid  40 and name HN    )  0.00  0.00  4.16
assign (resid  39 and name HA    )(resid  40 and name HN    )  0.00  0.00  3.78
assign (resid  39 and name HB2   )(resid  40 and name HN    )  0.00  0.00  4.41
assign (resid  39 and name HB1   )(resid  40 and name HN    )  0.00  0.00  4.41
assign (resid  39 and name HB*   )(resid  40 and name HN    )  0.00  0.00  4.23
assign (resid  40 and name HA    )(resid  41 and name HN    )  0.00  0.00  2.82
assign (resid  40 and name HB2   )(resid  41 and name HN    )  0.00  0.00  3.88
assign (resid  40 and name HB1   )(resid  41 and name HN    )  0.00  0.00  3.88
assign (resid  40 and name HB*   )(resid  41 and name HN    )  0.00  0.00  3.48
assign (resid  41 and name HN    )(resid  42 and name HN    )  0.00  0.00  3.63
assign (resid  41 and name HA    )(resid  42 and name HB*   )  0.00  0.00  5.32
assign (resid  41 and name HB2   )(resid  42 and name HN    )  0.00  0.00  3.75
assign (resid  41 and name HB2   )(resid  42 and name HD*   )  0.00  0.00  7.92
assign (resid  41 and name HB1   )(resid  42 and name HN    )  0.00  0.00  3.75
assign (resid  41 and name HB1   )(resid  42 and name HD*   )  0.00  0.00  7.92
assign (resid  41 and name HB*   )(resid  42 and name HD*   )  0.00  0.00  7.36
assign (resid  41 and name HG*   )(resid  42 and name HN    )  0.00  0.00  6.46
assign (resid  25 and name HA    )(resid  26 and name HD1   )  0.00  0.00  4.00
assign (resid  25 and name HA    )(resid  26 and name HD2   )  0.00  0.00  4.00
assign (resid  17 and name HA    )(resid  18 and name HN    )  0.00  0.00  4.00
assign (resid  25 and name HN    )(resid  24 and name HA    )  0.00  0.00  3.00
assign (resid  34 and name HA    )(resid  35 and name HN    )  0.00  0.00  3.00
assign (resid  32 and name HA    )(resid  33 and name HN    )  0.00  0.00  3.00
assign (resid  36 and name HA    )(resid  37 and name HN    )  0.00  0.00  4.00
assign (resid  10 and name HA    )(resid  11 and name HN    )  0.00  0.00  4.00
! total in this range:    190
! range |i-j| =     2
assign (resid   3 and name HB*   )(resid   5 and name HN    )  0.00  0.00  6.68
assign (resid   8 and name HB*   )(resid  10 and name HN    )  0.00  0.00  5.25
assign (resid   8 and name HB*   )(resid  10 and name HD1   )  0.00  0.00  4.87
assign (resid   8 and name HB*   )(resid  10 and name HE1   )  0.00  0.00  4.91
assign (resid   8 and name HB*   )(resid  10 and name HZ2   )  0.00  0.00  5.31
assign (resid   8 and name HB*   )(resid  10 and name HH2   )  0.00  0.00  6.83
assign (resid  11 and name HN    )(resid  13 and name HN    )  0.00  0.00  4.87
assign (resid  15 and name HG1*  )(resid  17 and name HG*   )  0.00  0.00  7.70
assign (resid  15 and name HG1*  )(resid  17 and name HD2   )  0.00  0.00  8.58
assign (resid  15 and name HG1*  )(resid  17 and name HD1   )  0.00  0.00  8.58
assign (resid  15 and name HG2*  )(resid  17 and name HG*   )  0.00  0.00  7.70
assign (resid  15 and name HG2*  )(resid  17 and name HD2   )  0.00  0.00  8.58
assign (resid  15 and name HG2*  )(resid  17 and name HD1   )  0.00  0.00  8.58
assign (resid  15 and name HG*   )(resid  17 and name HN    )  0.00  0.00  8.39
assign (resid  15 and name HG*   )(resid  17 and name HG*   )  0.00  0.00  6.63
assign (resid  15 and name HG*   )(resid  17 and name HD*   )  0.00  0.00  7.08
assign (resid  15 and name HG*   )(resid  17 and name HE    )  0.00  0.00  6.93
assign (resid  18 and name HN    )(resid  20 and name HN    )  0.00  0.00  5.58
assign (resid  18 and name HA    )(resid  20 and name HN    )  0.00  0.00  4.80
assign (resid  18 and name HB*   )(resid  20 and name HN    )  0.00  0.00  4.44
assign (resid  19 and name HN    )(resid  21 and name HN    )  0.00  0.00  5.80
assign (resid  19 and name HA    )(resid  21 and name HN    )  0.00  0.00  3.85
assign (resid  19 and name HG*   )(resid  21 and name HN    )  0.00  0.00  6.68
assign (resid  19 and name HD*   )(resid  21 and name HN    )  0.00  0.00  6.68
assign (resid  21 and name HN    )(resid  23 and name HN    )  0.00  0.00  5.49
assign (resid  21 and name HA    )(resid  23 and name HN    )  0.00  0.00  3.85
assign (resid  21 and name HB2   )(resid  23 and name HN    )  0.00  0.00  4.50
assign (resid  21 and name HB1   )(resid  23 and name HN    )  0.00  0.00  3.97
assign (resid  21 and name HB*   )(resid  23 and name HN    )  0.00  0.00  3.79
assign (resid  21 and name HG2   )(resid  23 and name HN    )  0.00  0.00  4.72
assign (resid  21 and name HG1   )(resid  23 and name HN    )  0.00  0.00  4.72
assign (resid  21 and name HG*   )(resid  23 and name HN    )  0.00  0.00  4.17
assign (resid  22 and name HA    )(resid  24 and name HN    )  0.00  0.00  4.37
assign (resid  30 and name HN    )(resid  28 and name HA    )  0.00  0.00  4.80
assign (resid  31 and name HD*   )(resid  33 and name HN    )  0.00  0.00  7.94
assign (resid  31 and name HD*   )(resid  33 and name HA    )  0.00  0.00  7.94
assign (resid  31 and name HE*   )(resid  33 and name HA    )  0.00  0.00  7.68
assign (resid  31 and name HE*   )(resid  33 and name HB*   )  0.00  0.00  8.81
assign (resid  31 and name HE*   )(resid  33 and name HG*   )  0.00  0.00  8.81
assign (resid  32 and name HB*   )(resid  34 and name HN    )  0.00  0.00  4.39
assign (resid  34 and name HN    )(resid  36 and name HN    )  0.00  0.00  5.40
assign (resid  34 and name HB*   )(resid  36 and name HN    )  0.00  0.00  5.38
assign (resid  35 and name HN    )(resid  37 and name HN    )  0.00  0.00  4.62
assign (resid  35 and name HA    )(resid  37 and name HN    )  0.00  0.00  4.16
assign (resid  38 and name HB2   )(resid  40 and name HN    )  0.00  0.00  5.80
assign (resid  38 and name HB1   )(resid  40 and name HN    )  0.00  0.00  5.80
assign (resid  38 and name HB*   )(resid  40 and name HN    )  0.00  0.00  5.21
assign (resid  40 and name HB*   )(resid  42 and name HN    )  0.00  0.00  4.91
assign (resid  18 and name HA    )(resid  20 and name HN    )  0.00  0.00  5.00
! total in this range:     49
! range |i-j| =     3
assign (resid   8 and name HB*   )(resid  11 and name HN    )  0.00  0.00  4.53
assign (resid   8 and name HB*   )(resid  11 and name HB2   )  0.00  0.00  6.83
assign (resid   8 and name HB*   )(resid  11 and name HB1   )  0.00  0.00  6.83
assign (resid   8 and name HB*   )(resid  11 and name HB*   )  0.00  0.00  6.66
assign (resid   9 and name HA    )(resid  12 and name HB*   )  0.00  0.00  5.10
assign (resid  18 and name HN    )(resid  21 and name HN    )  0.00  0.00  5.02
assign (resid  18 and name HN    )(resid  21 and name HB2   )  0.00  0.00  4.56
assign (resid  18 and name HN    )(resid  21 and name HB1   )  0.00  0.00  5.06
assign (resid  18 and name HN    )(resid  21 and name HB*   )  0.00  0.00  4.37
assign (resid  18 and name HN    )(resid  21 and name HG2   )  0.00  0.00  5.80
assign (resid  18 and name HN    )(resid  21 and name HG1   )  0.00  0.00  5.80
assign (resid  18 and name HN    )(resid  21 and name HG*   )  0.00  0.00  5.53
assign (resid  18 and name HB*   )(resid  21 and name HN    )  0.00  0.00  4.72
assign (resid  18 and name HB*   )(resid  21 and name HB*   )  0.00  0.00  7.46
assign (resid  18 and name HB*   )(resid  21 and name HG2   )  0.00  0.00  6.27
assign (resid  18 and name HB*   )(resid  21 and name HG1   )  0.00  0.00  6.27
assign (resid  18 and name HB*   )(resid  21 and name HG*   )  0.00  0.00  5.99
assign (resid  21 and name HG*   )(resid  24 and name HN    )  0.00  0.00  6.68
assign (resid  27 and name HB*   )(resid  30 and name HG2*  )  0.00  0.00  6.81
assign (resid  27 and name HG*   )(resid  30 and name HG2*  )  0.00  0.00  7.36
assign (resid  27 and name HE*   )(resid  30 and name HG2*  )  0.00  0.00  7.64
assign (resid  34 and name HB2   )(resid  37 and name HG2   )  0.00  0.00  6.74
assign (resid  34 and name HB2   )(resid  37 and name HG1   )  0.00  0.00  6.74
assign (resid  34 and name HB1   )(resid  37 and name HG2   )  0.00  0.00  6.74
assign (resid  34 and name HB1   )(resid  37 and name HG1   )  0.00  0.00  6.74
assign (resid  34 and name HB*   )(resid  37 and name HN    )  0.00  0.00  4.66
assign (resid  34 and name HB*   )(resid  37 and name HG*   )  0.00  0.00  5.14
assign (resid  34 and name HD2*  )(resid  37 and name HG*   )  0.00  0.00  7.54
! total in this range:     28
! range |i-j| =     4
assign (resid  10 and name HA    )(resid  14 and name HN    )  0.00  0.00  4.47
assign (resid  17 and name HB*   )(resid  21 and name HB*   )  0.00  0.00  5.94
assign (resid  17 and name HB*   )(resid  21 and name HG*   )  0.00  0.00  6.71
assign (resid  17 and name HD2   )(resid  21 and name HG2   )  0.00  0.00  6.74
assign (resid  17 and name HD2   )(resid  21 and name HG1   )  0.00  0.00  6.74
assign (resid  17 and name HD1   )(resid  21 and name HG2   )  0.00  0.00  6.74
assign (resid  17 and name HD1   )(resid  21 and name HG1   )  0.00  0.00  6.74
assign (resid  17 and name HD*   )(resid  21 and name HG*   )  0.00  0.00  5.45
! total in this range:      8
! range |i-j| =     5
assign (resid   7 and name HB2   )(resid  12 and name HD2   )  0.00  0.00  5.77
assign (resid   7 and name HB1   )(resid  12 and name HD2   )  0.00  0.00  5.77
assign (resid   7 and name HB*   )(resid  12 and name HD2   )  0.00  0.00  5.56
assign (resid   7 and name HG*   )(resid  12 and name HD2   )  0.00  0.00  6.68
assign (resid  32 and name HB2   )(resid  37 and name HB2   )  0.00  0.00  6.09
assign (resid  32 and name HB2   )(resid  37 and name HB1   )  0.00  0.00  6.09
assign (resid  32 and name HB1   )(resid  37 and name HB2   )  0.00  0.00  6.09
assign (resid  32 and name HB1   )(resid  37 and name HB1   )  0.00  0.00  6.09
assign (resid  32 and name HB*   )(resid  37 and name HN    )  0.00  0.00  6.68
assign (resid  32 and name HB*   )(resid  37 and name HB*   )  0.00  0.00  4.63
! hydrogen bond
assign (resid  14 and name HN    )(resid   9 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  14 and name N     )(resid   9 and name O     )  3.20  0.30  0.00
! total in this range:     12
! range |i-j| =     9
assign (resid  30 and name HB    )(resid  39 and name HB*   )  0.00  0.00  5.53
assign (resid  30 and name HG2*  )(resid  39 and name HB1   )  0.00  0.00  6.83
! total in this range:      2
! range |i-j| =    12
assign (resid  27 and name HN    )(resid  39 and name HB*   )  0.00  0.00  6.68
assign (resid  27 and name HB*   )(resid  39 and name HB*   )  0.00  0.00  7.55
! hydrogen bond
assign (resid  27 and name HN    )(resid  39 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  27 and name N     )(resid  39 and name O     )  3.20  0.30  0.00
! total in this range:      4
! range |i-j| =    13
assign (resid  27 and name HN    )(resid  40 and name HA    )  0.00  0.00  3.78
assign (resid  27 and name HB*   )(resid  40 and name HN    )  0.00  0.00  6.68
assign (resid  27 and name HG*   )(resid  40 and name HN    )  0.00  0.00  6.68
assign (resid  27 and name HG*   )(resid  40 and name HA    )  0.00  0.00  6.68
! total in this range:      4
! range |i-j| =    14
assign (resid  24 and name HB*   )(resid  38 and name HZ*   )  0.00  0.00  7.49
assign (resid  27 and name HN    )(resid  41 and name HN    )  0.00  0.00  4.28
assign (resid  27 and name HB*   )(resid  41 and name HN    )  0.00  0.00  6.68
assign (resid  27 and name HG*   )(resid  41 and name HN    )  0.00  0.00  6.03
assign (resid  27 and name HG*   )(resid  41 and name HA    )  0.00  0.00  5.68
assign (resid  27 and name HE*   )(resid  41 and name HA    )  0.00  0.00  4.56
assign (resid  27 and name HE*   )(resid  41 and name HG*   )  0.00  0.00  4.86
assign (resid  26 and name HA    )(resid  40 and name HA    )  0.00  0.00  4.00
! total in this range:      8
! range |i-j| =    15
assign (resid  25 and name HN    )(resid  40 and name HA    )  0.00  0.00  5.34
assign (resid  25 and name HN    )(resid  40 and name HB2   )  0.00  0.00  4.90
assign (resid  25 and name HN    )(resid  40 and name HB1   )  0.00  0.00  4.90
assign (resid  25 and name HN    )(resid  40 and name HB*   )  0.00  0.00  4.42
assign (resid  25 and name HD*   )(resid  40 and name HA    )  0.00  0.00  6.59
assign (resid  25 and name HB*   )(resid  40 and name HB*   )  0.00  0.00  7.56
assign (resid  26 and name HA    )(resid  41 and name HN    )  0.00  0.00  5.64
! total in this range:      7
! range |i-j| =    16
assign (resid  16 and name HB2   )(resid  32 and name HB2   )  0.00  0.00  6.03
assign (resid  16 and name HB2   )(resid  32 and name HB1   )  0.00  0.00  6.03
assign (resid  16 and name HB1   )(resid  32 and name HB2   )  0.00  0.00  6.03
assign (resid  16 and name HB1   )(resid  32 and name HB1   )  0.00  0.00  6.03
assign (resid  16 and name HB*   )(resid  32 and name HB*   )  0.00  0.00  5.12
assign (resid  25 and name HN    )(resid  41 and name HN    )  0.00  0.00  3.82
assign (resid  25 and name HN    )(resid  41 and name HB*   )  0.00  0.00  6.68
assign (resid  25 and name HN    )(resid  41 and name HG*   )  0.00  0.00  6.68
assign (resid  25 and name HB*   )(resid  41 and name HN    )  0.00  0.00  6.43
! hydrogen bond
assign (resid  41 and name HN    )(resid  25 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  41 and name N     )(resid  25 and name O     )  3.20  0.30  0.00
! total in this range:     11
! range |i-j| =    17
assign (resid  21 and name HN    )(resid  38 and name HE2   )  0.00  0.00  4.62
assign (resid  21 and name HN    )(resid  38 and name HE1   )  0.00  0.00  4.62
assign (resid  21 and name HN    )(resid  38 and name HE*   )  0.00  0.00  4.23
assign (resid  21 and name HB*   )(resid  38 and name HB*   )  0.00  0.00  5.88
assign (resid  21 and name HB*   )(resid  38 and name HE*   )  0.00  0.00  4.32
assign (resid  25 and name HD*   )(resid  42 and name HE*   )  0.00  0.00  8.80
! total in this range:      6
! range |i-j| =    18
assign (resid  12 and name HB2   )(resid  30 and name HG2*  )  0.00  0.00  5.87
assign (resid  12 and name HB1   )(resid  30 and name HG2*  )  0.00  0.00  5.87
assign (resid  12 and name HB*   )(resid  30 and name HG2*  )  0.00  0.00  5.66
assign (resid  12 and name HD2   )(resid  30 and name HG2*  )  0.00  0.00  5.65
assign (resid  19 and name HN    )(resid  37 and name HA    )  0.00  0.00  3.72
assign (resid  19 and name HN    )(resid  37 and name HB*   )  0.00  0.00  6.65
assign (resid  19 and name HN    )(resid  37 and name HG*   )  0.00  0.00  5.94
! total in this range:      7
! range |i-j| =    19
assign (resid  18 and name HN    )(resid  37 and name HE21  )  0.00  0.00  5.80
assign (resid  18 and name HN    )(resid  37 and name HE22  )  0.00  0.00  5.80
assign (resid  18 and name HA    )(resid  37 and name HG2   )  0.00  0.00  3.69
assign (resid  18 and name HA    )(resid  37 and name HG1   )  0.00  0.00  3.69
assign (resid  18 and name HA    )(resid  37 and name HE2*  )  0.00  0.00  6.67
assign (resid  18 and name HB*   )(resid  37 and name HA    )  0.00  0.00  6.58
assign (resid  18 and name HB*   )(resid  37 and name HG*   )  0.00  0.00  6.75
assign (resid  19 and name HN    )(resid  38 and name HN    )  0.00  0.00  4.41
assign (resid  19 and name HA    )(resid  38 and name HN    )  0.00  0.00  4.09
assign (resid  19 and name HA    )(resid  38 and name HB*   )  0.00  0.00  6.68
assign (resid  19 and name HA    )(resid  38 and name HG2   )  0.00  0.00  4.25
assign (resid  19 and name HA    )(resid  38 and name HG1   )  0.00  0.00  4.25
assign (resid  19 and name HA    )(resid  38 and name HG*   )  0.00  0.00  3.76
assign (resid  19 and name HA    )(resid  38 and name HD2   )  0.00  0.00  4.22
assign (resid  19 and name HA    )(resid  38 and name HD1   )  0.00  0.00  4.22
assign (resid  19 and name HA    )(resid  38 and name HD*   )  0.00  0.00  3.53
assign (resid  19 and name HA    )(resid  38 and name HE2   )  0.00  0.00  4.09
assign (resid  19 and name HA    )(resid  38 and name HE1   )  0.00  0.00  4.09
assign (resid  19 and name HA    )(resid  38 and name HE*   )  0.00  0.00  3.60
assign (resid  19 and name HA    )(resid  38 and name HZ*   )  0.00  0.00  6.46
assign (resid  19 and name HB*   )(resid  38 and name HZ*   )  0.00  0.00  7.49
assign (resid  19 and name HD*   )(resid  38 and name HN    )  0.00  0.00  6.68
assign (resid  18 and name HA    )(resid  37 and name HA    )  0.00  0.00  4.00
! total in this range:     23
! range |i-j| =    20
assign (resid  17 and name HN    )(resid  37 and name HB*   )  0.00  0.00  6.15
assign (resid  17 and name HG*   )(resid  37 and name HA    )  0.00  0.00  6.68
assign (resid  18 and name HA    )(resid  38 and name HN    )  0.00  0.00  4.37
! total in this range:      3
! range |i-j| =    21
assign (resid   9 and name HN    )(resid  30 and name HG2*  )  0.00  0.00  6.83
assign (resid   9 and name HA    )(resid  30 and name HB    )  0.00  0.00  4.22
assign (resid   9 and name HA    )(resid  30 and name HG2*  )  0.00  0.00  4.44
assign (resid   9 and name HB*   )(resid  30 and name HG2*  )  0.00  0.00  7.71
assign (resid  10 and name HH2   )(resid  31 and name HE*   )  0.00  0.00  7.93
assign (resid  16 and name HA    )(resid  37 and name HG*   )  0.00  0.00  4.80
assign (resid  16 and name HB2   )(resid  37 and name HB2   )  0.00  0.00  5.44
assign (resid  16 and name HB2   )(resid  37 and name HB1   )  0.00  0.00  5.44
assign (resid  16 and name HB1   )(resid  37 and name HB2   )  0.00  0.00  5.44
assign (resid  16 and name HB1   )(resid  37 and name HB1   )  0.00  0.00  5.44
assign (resid  16 and name HB*   )(resid  37 and name HB*   )  0.00  0.00  4.36
assign (resid  16 and name HB*   )(resid  37 and name HG*   )  0.00  0.00  6.00
assign (resid  17 and name HN    )(resid  38 and name HN    )  0.00  0.00  3.41
assign (resid  17 and name HN    )(resid  38 and name HG2   )  0.00  0.00  5.80
assign (resid  17 and name HN    )(resid  38 and name HG1   )  0.00  0.00  5.80
assign (resid  17 and name HG*   )(resid  38 and name HG2   )  0.00  0.00  6.68
assign (resid  17 and name HG*   )(resid  38 and name HG1   )  0.00  0.00  6.68
! hydrogen bond
assign (resid  38 and name HN    )(resid  17 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  38 and name N     )(resid  17 and name O     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  17 and name HN    )(resid  38 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  17 and name N     )(resid  38 and name O     )  3.20  0.30  0.00
! total in this range:     21
! range |i-j| =    22
assign (resid   7 and name HB*   )(resid  29 and name HE3   )  0.00  0.00  6.68
assign (resid   7 and name HG*   )(resid  29 and name HE3   )  0.00  0.00  6.68
assign (resid   9 and name HN    )(resid  31 and name HN    )  0.00  0.00  3.82
assign (resid   9 and name HA    )(resid  31 and name HN    )  0.00  0.00  5.80
assign (resid  16 and name HA    )(resid  38 and name HN    )  0.00  0.00  4.31
assign (resid  16 and name HB*   )(resid  38 and name HN    )  0.00  0.00  6.43
assign (resid  17 and name HN    )(resid  39 and name HA    )  0.00  0.00  4.00
! total in this range:      7
! range |i-j| =    23
assign (resid   6 and name HB*   )(resid  29 and name HE3   )  0.00  0.00  6.68
assign (resid   6 and name HG2   )(resid  29 and name HE3   )  0.00  0.00  5.02
assign (resid   6 and name HG1   )(resid  29 and name HE3   )  0.00  0.00  5.02
assign (resid   6 and name HG*   )(resid  29 and name HA    )  0.00  0.00  6.68
assign (resid   6 and name HG*   )(resid  29 and name HE3   )  0.00  0.00  4.67
assign (resid   6 and name HE*   )(resid  29 and name HA    )  0.00  0.00  6.05
assign (resid   6 and name HE*   )(resid  29 and name HE3   )  0.00  0.00  5.53
assign (resid   7 and name HN    )(resid  30 and name HG2*  )  0.00  0.00  6.02
assign (resid   7 and name HN    )(resid  30 and name HG1   )  0.00  0.00  4.00
assign (resid   7 and name HB*   )(resid  30 and name HG1   )  0.00  0.00  6.68
assign (resid   7 and name HB*   )(resid  30 and name HG2*  )  0.00  0.00  7.34
assign (resid   7 and name HG*   )(resid  30 and name HG2*  )  0.00  0.00  7.70
assign (resid   8 and name HN    )(resid  31 and name HD*   )  0.00  0.00  7.94
assign (resid   8 and name HN    )(resid  31 and name HE*   )  0.00  0.00  7.93
assign (resid   8 and name HA    )(resid  31 and name HN    )  0.00  0.00  4.22
assign (resid   8 and name HA    )(resid  31 and name HE*   )  0.00  0.00  7.93
assign (resid   8 and name HB*   )(resid  31 and name HN    )  0.00  0.00  6.83
assign (resid   8 and name HB*   )(resid  31 and name HD*   )  0.00  0.00  8.97
assign (resid   8 and name HB*   )(resid  31 and name HE*   )  0.00  0.00  7.97
assign (resid  17 and name HN    )(resid  40 and name HN    )  0.00  0.00  4.81
assign (resid  17 and name HG*   )(resid  40 and name HB*   )  0.00  0.00  6.60
assign (resid  17 and name HD*   )(resid  40 and name HB*   )  0.00  0.00  7.30
assign (resid  16 and name HA    )(resid  39 and name HA    )  0.00  0.00  4.00
! total in this range:     23
! range |i-j| =    24
assign (resid   7 and name HN    )(resid  31 and name HN    )  0.00  0.00  4.47
assign (resid   7 and name HN    )(resid  31 and name HD*   )  0.00  0.00  7.94
assign (resid   7 and name HN    )(resid  31 and name HE*   )  0.00  0.00  7.93
assign (resid  16 and name HA    )(resid  40 and name HN    )  0.00  0.00  3.91
assign (resid   7 and name HA    )(resid  31 and name HE*   )  0.00  0.00  8.00
assign (resid   7 and name HA    )(resid  31 and name HD*   )  0.00  0.00  8.00
! hydrogen bond
assign (resid  31 and name HN    )(resid   7 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  31 and name N     )(resid   7 and name O     )  3.20  0.30  0.00
! total in this range:      8
! range |i-j| =    25
assign (resid   6 and name HN    )(resid  31 and name HD*   )  0.00  0.00  7.94
assign (resid   6 and name HB2   )(resid  31 and name HD*   )  0.00  0.00  6.70
assign (resid   6 and name HB2   )(resid  31 and name HE*   )  0.00  0.00  7.93
assign (resid   6 and name HB1   )(resid  31 and name HD*   )  0.00  0.00  6.70
assign (resid   6 and name HB1   )(resid  31 and name HE*   )  0.00  0.00  7.93
assign (resid   6 and name HB*   )(resid  31 and name HA    )  0.00  0.00  6.00
assign (resid   6 and name HB*   )(resid  31 and name HD*   )  0.00  0.00  6.35
assign (resid   6 and name HG2   )(resid  31 and name HD*   )  0.00  0.00  7.94
assign (resid   6 and name HG1   )(resid  31 and name HD*   )  0.00  0.00  7.94
assign (resid   6 and name HG*   )(resid  31 and name HA    )  0.00  0.00  6.12
assign (resid   6 and name HG*   )(resid  31 and name HE*   )  0.00  0.00  8.81
assign (resid   6 and name HE*   )(resid  31 and name HD*   )  0.00  0.00  8.97
assign (resid  15 and name HN    )(resid  40 and name HN    )  0.00  0.00  3.29
assign (resid  15 and name HN    )(resid  40 and name HB*   )  0.00  0.00  6.65
assign (resid  15 and name HB    )(resid  40 and name HN    )  0.00  0.00  5.40
assign (resid  15 and name HB    )(resid  40 and name HB*   )  0.00  0.00  5.56
assign (resid  15 and name HG1*  )(resid  40 and name HN    )  0.00  0.00  6.83
assign (resid  15 and name HG1*  )(resid  40 and name HB2   )  0.00  0.00  8.33
assign (resid  15 and name HG1*  )(resid  40 and name HB1   )  0.00  0.00  8.33
assign (resid  15 and name HG2*  )(resid  40 and name HN    )  0.00  0.00  6.83
assign (resid  15 and name HG2*  )(resid  40 and name HB2   )  0.00  0.00  8.33
assign (resid  15 and name HG2*  )(resid  40 and name HB1   )  0.00  0.00  8.33
assign (resid  15 and name HG*   )(resid  40 and name HN    )  0.00  0.00  6.50
assign (resid  15 and name HG*   )(resid  40 and name HB*   )  0.00  0.00  6.50
! hydrogen bond
assign (resid  40 and name HN    )(resid  15 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  40 and name N     )(resid  15 and name O     )  3.20  0.30  0.00
! hydrogen bond
assign (resid  15 and name HN    )(resid  40 and name O     )  2.20  0.20  0.00
! hydrogen bond
assign (resid  15 and name N     )(resid  40 and name O     )  3.20  0.30  0.00
! total in this range:     28
! range |i-j| =    26
assign (resid  15 and name HN    )(resid  41 and name HA    )  0.00  0.00  5.37
! total in this range:      1
! range |i-j| =    27
assign (resid  14 and name HA*   )(resid  41 and name HA    )  0.00  0.00  4.66
assign (resid  15 and name HG1*  )(resid  42 and name HN    )  0.00  0.00  6.83
assign (resid  15 and name HG1*  )(resid  42 and name HA    )  0.00  0.00  5.56
assign (resid  15 and name HG1*  )(resid  42 and name HB2   )  0.00  0.00  8.36
assign (resid  15 and name HG1*  )(resid  42 and name HB1   )  0.00  0.00  8.36
assign (resid  15 and name HG1*  )(resid  42 and name HD*   )  0.00  0.00  8.79
assign (resid  15 and name HG2*  )(resid  42 and name HN    )  0.00  0.00  6.83
assign (resid  15 and name HG2*  )(resid  42 and name HA    )  0.00  0.00  5.56
assign (resid  15 and name HG2*  )(resid  42 and name HB2   )  0.00  0.00  8.36
assign (resid  15 and name HG2*  )(resid  42 and name HB1   )  0.00  0.00  8.36
assign (resid  15 and name HG2*  )(resid  42 and name HD*   )  0.00  0.00  8.79
assign (resid  15 and name HG*   )(resid  42 and name HN    )  0.00  0.00  6.25
assign (resid  15 and name HG*   )(resid  42 and name HA    )  0.00  0.00  4.96
assign (resid  15 and name HG*   )(resid  42 and name HB*   )  0.00  0.00  6.96
assign (resid  15 and name HG*   )(resid  42 and name HD*   )  0.00  0.00  8.25
assign (resid  15 and name HG*   )(resid  42 and name HE*   )  0.00  0.00 10.71
! total in this range:     16
! range |i-j| =    30
assign (resid   9 and name HN    )(resid  39 and name HB*   )  0.00  0.00  6.68
assign (resid   9 and name HA    )(resid  39 and name HB*   )  0.00  0.00  6.12
assign (resid   9 and name HB2   )(resid  39 and name HB2   )  0.00  0.00  5.53
assign (resid   9 and name HB2   )(resid  39 and name HB1   )  0.00  0.00  5.53
assign (resid   9 and name HB1   )(resid  39 and name HB2   )  0.00  0.00  5.53
assign (resid   9 and name HB1   )(resid  39 and name HB1   )  0.00  0.00  5.53
assign (resid   9 and name HB*   )(resid  39 and name HB*   )  0.00  0.00  4.46
! total in this range:      7
! total constraints:      715
set echo=true end
set wrnlev=5 end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ILE   1          1HT       ILE   1   2.414  13.619  -5.645
    2   2H    ILE   1          2HT       ILE   1   3.321  12.940  -6.934
    3   3H    ILE   1          3HT       ILE   1   3.440  14.617  -6.588
    4    HA   ILE   1           HA       ILE   1   5.346  13.640  -5.756
    5    HB   ILE   1           HB       ILE   1   3.478  13.890  -3.401
    6   1HG1  ILE   1          2HG1      ILE   1   4.583  16.351  -3.645
    7   2HG1  ILE   1          1HG1      ILE   1   4.448  15.903  -5.343
    8   1HG2  ILE   1          1HG2      ILE   1   5.418  13.357  -2.387
    9   2HG2  ILE   1          2HG2      ILE   1   5.789  15.059  -2.664
   10   3HG2  ILE   1          3HG2      ILE   1   6.398  13.832  -3.775
   11   1HD1  ILE   1          1HD1      ILE   1   2.504  17.145  -4.618
   12   2HD1  ILE   1          2HD1      ILE   1   2.203  15.966  -3.341
   13   3HD1  ILE   1          3HD1      ILE   1   2.058  15.489  -5.033
   14    H    MED   2           H        DME   2   6.122  11.640  -5.925
   15    HA   MED   2           HA       DME   2   4.723   9.467  -4.514
   16   1HB   MED   2          1HB       DME   2   7.047   8.506  -4.106
   17   2HB   MED   2          2HB       DME   2   6.590   9.902  -3.140
   18   1HG   MED   2          1HG       DME   2   8.062  11.295  -4.195
   19   2HG   MED   2          2HG       DME   2   8.059  10.351  -5.683
   20   1HE   MED   2          1HE       DME   2  10.828  10.998  -2.737
   21   2HE   MED   2          2HE       DME   2  10.172   9.663  -1.789
   22   3HE   MED   2          3HE       DME   2   9.118  10.979  -2.307
   23    H    PHE   3           H        PHE   3   3.854   8.352  -6.166
   24    HA   PHE   3           HA       PHE   3   5.579   7.690  -8.456
   25   1HB   PHE   3          2HB       PHE   3   3.822   5.789  -6.891
   26   2HB   PHE   3          1HB       PHE   3   4.571   5.399  -8.435
   27    HD1  PHE   3           1HD      PHE   3   4.896   5.105  -4.991
   28    HD2  PHE   3           2HD      PHE   3   7.194   5.876  -8.489
   29    HE1  PHE   3           1HE      PHE   3   6.929   4.371  -3.812
   30    HE2  PHE   3           2HE      PHE   3   9.230   5.143  -7.318
   31    HZ   PHE   3           HZ       PHE   3   9.099   4.389  -4.977
   32    H    PHE   4           H        PHE   4   2.219   7.364  -7.291
   33    HA   PHE   4           HA       PHE   4   1.282   8.630  -9.742
   34   1HB   PHE   4          2HB       PHE   4   1.287   5.890  -9.562
   35   2HB   PHE   4          1HB       PHE   4  -0.329   6.290  -8.990
   36    HD1  PHE   4           1HD      PHE   4   1.983   7.311 -11.739
   37    HD2  PHE   4           2HD      PHE   4  -1.987   6.330 -10.565
   38    HE1  PHE   4           1HE      PHE   4   1.233   7.581 -14.067
   39    HE2  PHE   4           2HE      PHE   4  -2.744   6.596 -12.890
   40    HZ   PHE   4           HZ       PHE   4  -1.134   7.222 -14.645
   41    H    GLU   5           H        GLU   5  -1.460   8.033  -9.279
   42    HA   GLU   5           HA       GLU   5  -1.918   9.527  -6.782
   43   1HB   GLU   5          2HB       GLU   5  -3.145   9.741  -9.495
   44   2HB   GLU   5          1HB       GLU   5  -4.146  10.100  -8.095
   45   1HG   GLU   5          2HG       GLU   5  -3.355  12.175  -8.426
   46   2HG   GLU   5          1HG       GLU   5  -1.996  11.568  -7.482
   47    H    MET   6           H        MET   6  -1.723   6.814  -6.596
   48    HA   MET   6           HA       MET   6  -4.144   5.406  -6.929
   49   1HB   MET   6          2HB       MET   6  -1.631   4.966  -5.375
   50   2HB   MET   6          1HB       MET   6  -3.032   3.969  -5.004
   51   1HG   MET   6          2HG       MET   6  -3.107   3.109  -7.219
   52   2HG   MET   6          1HG       MET   6  -1.897   4.266  -7.770
   53   1HE   MET   6          1HE       MET   6   0.914   3.423  -7.745
   54   2HE   MET   6          2HE       MET   6  -0.421   3.002  -8.817
   55   3HE   MET   6          3HE       MET   6   0.641   1.739  -8.194
   56    H    GLN   7           H        GLN   7  -5.194   4.338  -4.896
   57    HA   GLN   7           HA       GLN   7  -5.811   6.483  -2.970
   58   1HB   GLN   7          2HB       GLN   7  -7.636   4.408  -4.189
   59   2HB   GLN   7          1HB       GLN   7  -8.088   5.411  -2.817
   60   1HG   GLN   7          2HG       GLN   7  -8.810   6.935  -4.244
   61   2HG   GLN   7          1HG       GLN   7  -7.143   7.183  -4.760
   62   1HE2  GLN   7          1HE2      GLN   7  -7.490   7.537  -6.886
   63   2HE2  GLN   7          2HE2      GLN   7  -8.156   6.368  -7.970
   64    H    ALA   8           H        ALA   8  -7.188   5.268  -1.073
   65    HA   ALA   8           HA       ALA   8  -5.220   3.538   0.159
   66   1HB   ALA   8          1HB       ALA   8  -5.903   4.597   1.984
   67   2HB   ALA   8          2HB       ALA   8  -7.476   3.812   1.837
   68   3HB   ALA   8          3HB       ALA   8  -7.197   5.378   1.075
   69    H    CYS   9           H        CYS   9  -5.497   1.422   0.747
   70    HA   CYS   9           HA       CYS   9  -7.184  -0.186  -0.826
   71   1HB   CYS   9          2HB       CYS   9  -4.977  -0.780   0.403
   72   2HB   CYS   9          1HB       CYS   9  -6.017  -1.124   1.779
   73    H    TRP  10           H        TRP  10  -7.635   1.313   2.273
   74    HA   TRP  10           HA       TRP  10 -10.069  -0.245   2.753
   75   1HB   TRP  10          2HB       TRP  10  -9.849   1.527   4.862
   76   2HB   TRP  10          1HB       TRP  10  -9.308  -0.137   4.868
   77    HD1  TRP  10           HD       TRP  10  -6.584  -0.459   4.156
   78    HE1  TRP  10           1HE      TRP  10  -4.609   1.078   4.782
   79    HE3  TRP  10           3HE      TRP  10  -9.205   3.712   5.329
   80    HZ2  TRP  10           2HZ      TRP  10  -4.233   3.750   5.668
   81    HZ3  TRP  10           3HZ      TRP  10  -7.995   5.737   6.060
   82    HH2  TRP  10           HH       TRP  10  -5.554   5.749   6.226
   83    H    SER  11           H        SER  11  -9.083   2.722   1.441
   84    HA   SER  11           HA       SER  11 -11.269   4.356   2.190
   85   1HB   SER  11          2HB       SER  11  -9.174   5.286   1.300
   86   2HB   SER  11          1HB       SER  11  -9.495   4.529  -0.259
   87    HG   SER  11           HG       SER  11 -11.434   5.810  -0.336
   88    H    HIS  12           H        HIS  12 -10.749   2.054  -0.405
   89    HA   HIS  12           HA       HIS  12 -13.383   2.678  -1.527
   90   1HB   HIS  12          2HB       HIS  12 -10.894   1.489  -2.589
   91   2HB   HIS  12          1HB       HIS  12 -12.389   0.778  -3.186
   92    HD1  HIS  12           1HD      HIS  12 -12.745   4.336  -2.446
   93    HD2  HIS  12           2HD      HIS  12 -11.541   2.021  -5.681
   94    HE1  HIS  12           1HE      HIS  12 -12.828   5.869  -4.438
   95    HE2  HIS  12           2HE      HIS  12 -12.181   4.422  -6.397
   96    H    SER  13           H        SER  13 -11.625  -0.402  -1.321
   97    HA   SER  13           HA       SER  13 -13.081  -1.698   0.614
   98   1HB   SER  13          2HB       SER  13 -14.552  -1.482  -1.954
   99   2HB   SER  13          1HB       SER  13 -14.548  -3.072  -1.190
  100    HG   SER  13           HG       SER  13 -16.297  -1.751  -0.490
  101    H    GLY  14           H        GLY  14 -10.777  -2.339   0.553
  102   1HA   GLY  14          2HA       GLY  14 -10.489  -4.801  -1.015
  103   2HA   GLY  14          1HA       GLY  14  -9.206  -3.600  -1.069
  104    H    VAL  15           H        VAL  15  -8.066  -5.619  -0.294
  105    HA   VAL  15           HA       VAL  15  -7.899  -5.491   2.627
  106    HB   VAL  15           HB       VAL  15  -7.821  -8.139   1.189
  107   1HG1  VAL  15          1HG1      VAL  15  -6.787  -8.542   3.176
  108   2HG1  VAL  15          2HG1      VAL  15  -8.461  -8.742   3.696
  109   3HG1  VAL  15          3HG1      VAL  15  -7.618  -7.224   4.003
  110   1HG2  VAL  15          1HG2      VAL  15 -10.050  -7.300   0.884
  111   2HG2  VAL  15          2HG2      VAL  15 -10.151  -6.820   2.578
  112   3HG2  VAL  15          3HG2      VAL  15 -10.087  -8.530   2.148
  113    H    CYS  16           H        CYS  16  -5.871  -6.426   3.468
  114    HA   CYS  16           HA       CYS  16  -3.695  -6.154   1.500
  115   1HB   CYS  16          2HB       CYS  16  -3.841  -5.438   4.421
  116   2HB   CYS  16          1HB       CYS  16  -2.299  -5.640   3.598
  117    H    ARG  17           H        ARG  17  -3.190  -8.179   0.900
  118    HA   ARG  17           HA       ARG  17  -2.935 -10.245   2.970
  119   1HB   ARG  17          2HB       ARG  17  -2.773 -10.760   0.016
  120   2HB   ARG  17          1HB       ARG  17  -3.225 -11.868   1.304
  121   1HG   ARG  17          2HG       ARG  17  -5.153  -9.940   1.504
  122   2HG   ARG  17          1HG       ARG  17  -4.862 -10.006  -0.235
  123   1HD   ARG  17          2HD       ARG  17  -6.156 -11.811  -0.320
  124   2HD   ARG  17          1HD       ARG  17  -4.936 -12.671   0.619
  125    HE   ARG  17           HE       ARG  17  -6.761 -11.124   2.217
  126   1HH1  ARG  17          1HH1      ARG  17  -6.209 -14.201   0.666
  127   2HH1  ARG  17          2HH1      ARG  17  -7.278 -15.065   1.719
  128   1HH2  ARG  17          1HH2      ARG  17  -8.168 -12.259   3.602
  129   2HH2  ARG  17          2HH2      ARG  17  -8.390 -13.962   3.386
  130    H    ASP  18           H        ASP  18  -1.140 -11.880   2.499
  131    HA   ASP  18           HA       ASP  18   1.339 -10.527   2.631
  132   1HB   ASP  18          2HB       ASP  18   0.476 -13.390   2.630
  133   2HB   ASP  18          1HB       ASP  18   2.176 -13.021   2.362
  134    H    LYS  19           H        LYS  19   2.897 -10.233   1.157
  135    HA   LYS  19           HA       LYS  19   2.236 -10.231  -1.583
  136   1HB   LYS  19          2HB       LYS  19   4.646  -9.651  -1.917
  137   2HB   LYS  19          1HB       LYS  19   3.809  -8.625  -0.761
  138   1HG   LYS  19          2HG       LYS  19   5.531  -9.010   0.592
  139   2HG   LYS  19          1HG       LYS  19   4.831 -10.612   0.831
  140   1HD   LYS  19          2HD       LYS  19   6.165 -11.290  -1.254
  141   2HD   LYS  19          1HD       LYS  19   7.059  -9.788  -1.006
  142   1HE   LYS  19          2HE       LYS  19   8.146 -10.583   0.801
  143   2HE   LYS  19          1HE       LYS  19   6.735 -11.462   1.389
  144   1HZ   LYS  19          1HZ       LYS  19   7.345 -13.327   0.324
  145   2HZ   LYS  19          2HZ       LYS  19   8.890 -12.642   0.372
  146   3HZ   LYS  19          3HZ       LYS  19   7.951 -12.509  -1.028
  147    H    SER  20           H        SER  20   3.373 -12.730   0.428
  148    HA   SER  20           HA       SER  20   4.532 -14.215  -1.812
  149   1HB   SER  20          2HB       SER  20   5.174 -14.034   0.922
  150   2HB   SER  20          1HB       SER  20   4.548 -15.663   0.682
  151    HG   SER  20           HG       SER  20   6.497 -14.526  -1.024
  152    H    GLU  21           H        GLU  21   1.573 -13.704  -1.296
  153    HA   GLU  21           HA       GLU  21   0.518 -16.308  -0.721
  154   1HB   GLU  21          2HB       GLU  21  -0.485 -13.790  -0.467
  155   2HB   GLU  21          1HB       GLU  21  -1.273 -14.322  -1.942
  156   1HG   GLU  21          2HG       GLU  21  -1.425 -16.418  -0.034
  157   2HG   GLU  21          1HG       GLU  21  -1.938 -14.919   0.737
  158    H    ARG  22           H        ARG  22  -0.766 -17.481  -2.144
  159    HA   ARG  22           HA       ARG  22   0.136 -17.338  -4.918
  160   1HB   ARG  22          2HB       ARG  22  -0.445 -19.489  -3.025
  161   2HB   ARG  22          1HB       ARG  22  -1.137 -19.753  -4.615
  162   1HG   ARG  22          2HG       ARG  22   1.526 -18.852  -4.959
  163   2HG   ARG  22          1HG       ARG  22   1.531 -20.138  -3.752
  164   1HD   ARG  22          2HD       ARG  22   0.045 -20.436  -6.341
  165   2HD   ARG  22          1HD       ARG  22   1.770 -20.783  -6.234
  166    HE   ARG  22           HE       ARG  22   0.194 -22.120  -4.236
  167   1HH1  ARG  22          1HH1      ARG  22   1.411 -22.286  -7.503
  168   2HH1  ARG  22          2HH1      ARG  22   1.312 -24.012  -7.585
  169   1HH2  ARG  22          1HH2      ARG  22   0.065 -24.391  -4.342
  170   2HH2  ARG  22          2HH2      ARG  22   0.549 -25.208  -5.792
  171    H    ASN  23           H        ASN  23  -2.589 -16.805  -2.976
  172    HA   ASN  23           HA       ASN  23  -4.314 -16.811  -5.364
  173   1HB   ASN  23          2HB       ASN  23  -4.687 -18.527  -3.328
  174   2HB   ASN  23          1HB       ASN  23  -5.592 -17.150  -2.707
  175   1HD2  ASN  23          1HD2      ASN  23  -5.989 -19.930  -4.230
  176   2HD2  ASN  23          2HD2      ASN  23  -7.347 -19.568  -5.234
  177    H    CYS  24           H        CYS  24  -3.234 -14.556  -5.271
  178    HA   CYS  24           HA       CYS  24  -5.096 -12.778  -3.854
  179   1HB   CYS  24          2HB       CYS  24  -2.642 -13.018  -2.903
  180   2HB   CYS  24          1HB       CYS  24  -2.260 -11.914  -4.219
  181    H    LYS  25           H        LYS  25  -6.106 -11.445  -5.187
  182    HA   LYS  25           HA       LYS  25  -5.032 -11.042  -7.881
  183   1HB   LYS  25          2HB       LYS  25  -7.772 -10.516  -6.720
  184   2HB   LYS  25          1HB       LYS  25  -7.313 -10.148  -8.377
  185   1HG   LYS  25          2HG       LYS  25  -6.934 -12.485  -8.837
  186   2HG   LYS  25          1HG       LYS  25  -7.259 -12.897  -7.151
  187   1HD   LYS  25          2HD       LYS  25  -9.511 -12.626  -7.377
  188   2HD   LYS  25          1HD       LYS  25  -9.346 -11.378  -8.613
  189   1HE   LYS  25          2HE       LYS  25  -8.723 -14.285  -9.092
  190   2HE   LYS  25          1HE       LYS  25 -10.303 -13.568  -9.403
  191   1HZ   LYS  25          1HZ       LYS  25  -9.417 -13.250 -11.432
  192   2HZ   LYS  25          2HZ       LYS  25  -7.819 -13.290 -10.882
  193   3HZ   LYS  25          3HZ       LYS  25  -8.732 -11.876 -10.718
  194    HA   PRO  26           HA       PRO  26  -3.714  -7.071  -6.012
  195   1HB   PRO  26          2HB       PRO  26  -2.079  -6.430  -8.126
  196   2HB   PRO  26          1HB       PRO  26  -1.575  -7.396  -6.735
  197   1HG   PRO  26          2HG       PRO  26  -2.453  -8.294  -9.449
  198   2HG   PRO  26          1HG       PRO  26  -1.130  -8.906  -8.440
  199   1HD   PRO  26          2HD       PRO  26  -3.474 -10.200  -8.629
  200   2HD   PRO  26          1HD       PRO  26  -2.556 -10.154  -7.109
  201    H    MET  27           H        MET  27  -4.823  -5.246  -6.216
  202    HA   MET  27           HA       MET  27  -6.109  -4.663  -8.800
  203   1HB   MET  27          2HB       MET  27  -6.986  -4.395  -5.988
  204   2HB   MET  27          1HB       MET  27  -7.432  -3.070  -7.055
  205   1HG   MET  27          2HG       MET  27  -8.493  -4.670  -8.579
  206   2HG   MET  27          1HG       MET  27  -8.075  -5.980  -7.475
  207   1HE   MET  27          1HE       MET  27 -11.282  -2.842  -7.242
  208   2HE   MET  27          2HE       MET  27 -11.460  -4.222  -8.326
  209   3HE   MET  27          3HE       MET  27 -10.061  -3.158  -8.475
  210    H    ALA  28           H        ALA  28  -6.071  -2.554  -9.617
  211    HA   ALA  28           HA       ALA  28  -3.748  -1.017  -8.797
  212   1HB   ALA  28          1HB       ALA  28  -4.277  -1.546 -11.199
  213   2HB   ALA  28          2HB       ALA  28  -3.965   0.155 -10.850
  214   3HB   ALA  28          3HB       ALA  28  -5.621  -0.411 -11.073
  215    H    TRP  29           H        TRP  29  -4.398   1.538  -9.452
  216    HA   TRP  29           HA       TRP  29  -5.092   3.430  -8.393
  217   1HB   TRP  29          2HB       TRP  29  -7.864   2.354  -8.298
  218   2HB   TRP  29          1HB       TRP  29  -7.278   3.913  -8.860
  219    HD1  TRP  29           HD       TRP  29  -8.677   0.812 -10.163
  220    HE1  TRP  29           1HE      TRP  29  -8.252   0.584 -12.691
  221    HE3  TRP  29           3HE      TRP  29  -5.131   4.450 -10.718
  222    HZ2  TRP  29           2HZ      TRP  29  -6.627   1.788 -14.661
  223    HZ3  TRP  29           3HZ      TRP  29  -4.190   4.849 -12.957
  224    HH2  TRP  29           HH       TRP  29  -4.923   3.545 -14.887
  225    H    THR  30           H        THR  30  -4.189   1.424  -6.570
  226    HA   THR  30           HA       THR  30  -5.046   2.520  -4.142
  227    HB   THR  30           HB       THR  30  -7.129   1.330  -4.531
  228    HG1  THR  30           1HG      THR  30  -6.105   1.353  -2.386
  229   1HG2  THR  30          1HG2      THR  30  -6.515  -1.357  -4.192
  230   2HG2  THR  30          2HG2      THR  30  -5.411  -0.788  -5.445
  231   3HG2  THR  30          3HG2      THR  30  -7.152  -0.580  -5.641
  232    H    TYR  31           H        TYR  31  -3.811   1.829  -2.405
  233    HA   TYR  31           HA       TYR  31  -1.964  -0.402  -2.852
  234   1HB   TYR  31          2HB       TYR  31  -0.114   1.037  -1.892
  235   2HB   TYR  31          1HB       TYR  31  -0.635   1.458  -3.520
  236    HD1  TYR  31           1HD      TYR  31  -1.428   2.350   0.025
  237    HD2  TYR  31           2HD      TYR  31  -0.974   3.691  -3.987
  238    HE1  TYR  31           1HE      TYR  31  -1.828   4.662   0.759
  239    HE2  TYR  31           2HE      TYR  31  -1.372   6.007  -3.264
  240    HH   TYR  31           HH       TYR  31  -2.732   7.039  -1.059
  241    H    CYS  32           H        CYS  32  -0.672  -0.821  -0.760
  242    HA   CYS  32           HA       CYS  32  -2.594  -0.765   1.452
  243   1HB   CYS  32          2HB       CYS  32  -1.686  -2.951   0.660
  244   2HB   CYS  32          1HB       CYS  32  -0.091  -2.442   1.191
  245    H    GLU  33           H        GLU  33  -1.707  -0.557   3.645
  246    HA   GLU  33           HA       GLU  33  -0.065   1.802   3.810
  247   1HB   GLU  33          2HB       GLU  33  -2.044   1.473   5.254
  248   2HB   GLU  33          1HB       GLU  33  -1.239   0.113   6.024
  249   1HG   GLU  33          2HG       GLU  33   0.056   1.431   7.297
  250   2HG   GLU  33          1HG       GLU  33   0.285   2.622   6.018
  251    H    ASN  34           H        ASN  34   0.380  -1.614   4.259
  252    HA   ASN  34           HA       ASN  34   2.920  -1.258   5.632
  253   1HB   ASN  34          2HB       ASN  34   1.091  -3.170   5.927
  254   2HB   ASN  34          1HB       ASN  34   2.033  -3.927   4.647
  255   1HD2  ASN  34          1HD2      ASN  34   2.598  -2.158   7.673
  256   2HD2  ASN  34          2HD2      ASN  34   3.829  -3.218   8.260
  257    H    ARG  35           H        ARG  35   4.920  -1.951   4.810
  258    HA   ARG  35           HA       ARG  35   5.129  -1.710   1.918
  259   1HB   ARG  35          2HB       ARG  35   6.762  -0.999   4.144
  260   2HB   ARG  35          1HB       ARG  35   7.677  -2.106   3.130
  261   1HG   ARG  35          2HG       ARG  35   6.516  -0.336   1.336
  262   2HG   ARG  35          1HG       ARG  35   7.006   0.670   2.700
  263   1HD   ARG  35          2HD       ARG  35   8.855   0.609   1.227
  264   2HD   ARG  35          1HD       ARG  35   9.258  -0.462   2.568
  265    HE   ARG  35           HE       ARG  35   8.175  -2.145   0.757
  266   1HH1  ARG  35          1HH1      ARG  35  10.698   0.257   0.549
  267   2HH1  ARG  35          2HH1      ARG  35  11.562  -0.579  -0.697
  268   1HH2  ARG  35          1HH2      ARG  35   9.311  -3.245  -0.882
  269   2HH2  ARG  35          2HH2      ARG  35  10.775  -2.566  -1.510
  270    H    ASN  36           H        ASN  36   4.270  -4.221   3.561
  271    HA   ASN  36           HA       ASN  36   5.856  -6.078   1.951
  272   1HB   ASN  36          2HB       ASN  36   6.565  -5.848   4.481
  273   2HB   ASN  36          1HB       ASN  36   5.151  -6.862   4.750
  274   1HD2  ASN  36          1HD2      ASN  36   7.684  -6.770   2.271
  275   2HD2  ASN  36          2HD2      ASN  36   8.144  -8.425   2.437
  276    H    GLN  37           H        GLN  37   3.020  -4.877   2.184
  277    HA   GLN  37           HA       GLN  37   1.616  -7.427   1.846
  278   1HB   GLN  37          2HB       GLN  37   1.234  -5.623   3.955
  279   2HB   GLN  37          1HB       GLN  37  -0.115  -5.345   2.866
  280   1HG   GLN  37          2HG       GLN  37  -0.853  -7.572   3.050
  281   2HG   GLN  37          1HG       GLN  37   0.664  -8.086   3.787
  282   1HE2  GLN  37          1HE2      GLN  37  -1.175  -8.965   5.225
  283   2HE2  GLN  37          2HE2      GLN  37  -1.577  -7.984   6.589
  284    H    LYS  38           H        LYS  38   0.083  -7.471   0.217
  285    HA   LYS  38           HA       LYS  38   0.087  -5.122  -1.550
  286   1HB   LYS  38          2HB       LYS  38  -1.042  -7.575  -2.669
  287   2HB   LYS  38          1HB       LYS  38   0.189  -6.505  -3.320
  288   1HG   LYS  38          2HG       LYS  38   1.773  -7.622  -1.642
  289   2HG   LYS  38          1HG       LYS  38   0.522  -8.859  -1.502
  290   1HD   LYS  38          2HD       LYS  38   1.299  -8.088  -4.247
  291   2HD   LYS  38          1HD       LYS  38   2.512  -8.959  -3.308
  292   1HE   LYS  38          2HE       LYS  38   1.243 -10.865  -3.180
  293   2HE   LYS  38          1HE       LYS  38  -0.280  -9.989  -3.324
  294   1HZ   LYS  38          1HZ       LYS  38   0.802  -9.507  -5.707
  295   2HZ   LYS  38          2HZ       LYS  38  -0.219 -10.820  -5.397
  296   3HZ   LYS  38          3HZ       LYS  38   1.458 -11.035  -5.397
  297    H    CYS  39           H        CYS  39  -1.832  -4.352  -2.455
  298    HA   CYS  39           HA       CYS  39  -4.188  -4.860  -0.823
  299   1HB   CYS  39          2HB       CYS  39  -3.545  -2.535  -1.218
  300   2HB   CYS  39          1HB       CYS  39  -3.676  -2.776  -2.955
  301    H    CYS  40           H        CYS  40  -5.173  -6.663  -1.470
  302    HA   CYS  40           HA       CYS  40  -5.629  -7.128  -4.317
  303   1HB   CYS  40          2HB       CYS  40  -5.480  -8.817  -1.886
  304   2HB   CYS  40          1HB       CYS  40  -6.609  -9.331  -3.128
  305    H    GLU  41           H        GLU  41  -7.791  -8.041  -4.908
  306    HA   GLU  41           HA       GLU  41  -9.834  -6.227  -4.282
  307   1HB   GLU  41          2HB       GLU  41  -9.662  -7.641  -6.358
  308   2HB   GLU  41          1HB       GLU  41 -10.211  -9.008  -5.397
  309   1HG   GLU  41          2HG       GLU  41 -11.854  -6.535  -5.392
  310   2HG   GLU  41          1HG       GLU  41 -11.876  -7.559  -6.828
  311    H    TYR  42           H        TYR  42  -9.433  -9.624  -3.287
  312    HA   TYR  42           HA       TYR  42 -11.049  -9.027  -0.908
  313   1HB   TYR  42          2HB       TYR  42 -12.108 -10.443  -2.940
  314   2HB   TYR  42          1HB       TYR  42 -11.319 -11.744  -2.055
  315    HD1  TYR  42           1HD      TYR  42 -12.116 -12.434   0.117
  316    HD2  TYR  42           2HD      TYR  42 -13.946  -9.182  -1.928
  317    HE1  TYR  42           1HE      TYR  42 -14.011 -12.524   1.681
  318    HE2  TYR  42           2HE      TYR  42 -15.846  -9.263  -0.369
  319    HH   TYR  42           HH       TYR  42 -16.046 -10.213   2.242
  Start of MODEL    2
    1   1H    ILE   1          1HT       ILE   1   5.306   9.615  -3.390
    2   2H    ILE   1          2HT       ILE   1   5.615  10.816  -2.203
    3   3H    ILE   1          3HT       ILE   1   6.792  10.469  -3.403
    4    HA   ILE   1           HA       ILE   1   4.110  11.376  -4.122
    5    HB   ILE   1           HB       ILE   1   5.057  12.990  -2.493
    6   1HG1  ILE   1          2HG1      ILE   1   5.244  14.357  -5.139
    7   2HG1  ILE   1          1HG1      ILE   1   3.740  13.533  -4.734
    8   1HG2  ILE   1          1HG2      ILE   1   7.470  12.397  -3.549
    9   2HG2  ILE   1          2HG2      ILE   1   7.135  13.845  -2.600
   10   3HG2  ILE   1          3HG2      ILE   1   7.126  13.923  -4.362
   11   1HD1  ILE   1          1HD1      ILE   1   4.945  15.971  -3.576
   12   2HD1  ILE   1          2HD1      ILE   1   4.043  14.913  -2.491
   13   3HD1  ILE   1          3HD1      ILE   1   3.258  15.587  -3.920
   14    H    MED   2           H        DME   2   6.058   9.500  -5.271
   15    HA   MED   2           HA       DME   2   6.985   8.998  -7.284
   16   1HB   MED   2          1HB       DME   2   7.702  11.935  -7.327
   17   2HB   MED   2          2HB       DME   2   8.384  10.699  -8.374
   18   1HG   MED   2          1HG       DME   2   8.584  10.381  -5.420
   19   2HG   MED   2          2HG       DME   2   9.661  11.502  -6.248
   20   1HE   MED   2          1HE       DME   2   9.633   7.161  -5.784
   21   2HE   MED   2          2HE       DME   2   8.787   7.337  -7.322
   22   3HE   MED   2          3HE       DME   2   8.206   8.193  -5.892
   23    H    PHE   3           H        PHE   3   5.340   8.423  -8.583
   24    HA   PHE   3           HA       PHE   3   3.608  10.443  -9.754
   25   1HB   PHE   3          2HB       PHE   3   4.042   9.567 -12.067
   26   2HB   PHE   3          1HB       PHE   3   5.391  10.451 -11.362
   27    HD1  PHE   3           1HD      PHE   3   7.173   8.986 -10.137
   28    HD2  PHE   3           2HD      PHE   3   4.425   7.514 -13.033
   29    HE1  PHE   3           1HE      PHE   3   8.654   7.068 -10.561
   30    HE2  PHE   3           2HE      PHE   3   5.900   5.593 -13.463
   31    HZ   PHE   3           HZ       PHE   3   8.018   5.367 -12.225
   32    H    PHE   4           H        PHE   4   2.269   9.130  -8.232
   33    HA   PHE   4           HA       PHE   4   0.971   6.986  -9.725
   34   1HB   PHE   4          2HB       PHE   4   0.869   5.566  -7.663
   35   2HB   PHE   4          1HB       PHE   4   2.487   5.741  -8.334
   36    HD1  PHE   4           1HD      PHE   4   4.191   6.997  -7.166
   37    HD2  PHE   4           2HD      PHE   4   0.275   6.581  -5.552
   38    HE1  PHE   4           1HE      PHE   4   5.012   7.779  -4.983
   39    HE2  PHE   4           2HE      PHE   4   1.089   7.363  -3.365
   40    HZ   PHE   4           HZ       PHE   4   3.460   7.963  -3.079
   41    H    GLU   5           H        GLU   5  -1.114   7.460  -9.813
   42    HA   GLU   5           HA       GLU   5  -2.287   9.123  -7.700
   43   1HB   GLU   5          2HB       GLU   5  -4.188   9.334  -9.400
   44   2HB   GLU   5          1HB       GLU   5  -2.667  10.124  -9.793
   45   1HG   GLU   5          2HG       GLU   5  -2.256   8.773 -11.547
   46   2HG   GLU   5          1HG       GLU   5  -2.982   7.364 -10.775
   47    H    MET   6           H        MET   6  -1.917   6.645  -6.796
   48    HA   MET   6           HA       MET   6  -4.230   4.985  -7.296
   49   1HB   MET   6          2HB       MET   6  -2.071   4.661  -5.205
   50   2HB   MET   6          1HB       MET   6  -3.227   3.438  -5.716
   51   1HG   MET   6          2HG       MET   6  -2.113   2.982  -7.637
   52   2HG   MET   6          1HG       MET   6  -1.500   4.625  -7.804
   53   1HE   MET   6          1HE       MET   6   1.590   3.542  -8.097
   54   2HE   MET   6          2HE       MET   6   0.109   2.849  -8.758
   55   3HE   MET   6          3HE       MET   6   1.205   1.846  -7.807
   56    H    GLN   7           H        GLN   7  -5.181   4.001  -5.117
   57    HA   GLN   7           HA       GLN   7  -5.980   6.277  -3.423
   58   1HB   GLN   7          2HB       GLN   7  -7.598   4.159  -4.758
   59   2HB   GLN   7          1HB       GLN   7  -8.127   4.723  -3.180
   60   1HG   GLN   7          2HG       GLN   7  -7.459   6.841  -5.100
   61   2HG   GLN   7          1HG       GLN   7  -8.845   5.840  -5.530
   62   1HE2  GLN   7          1HE2      GLN   7  -9.208   8.480  -5.039
   63   2HE2  GLN   7          2HE2      GLN   7 -10.051   8.701  -3.548
   64    H    ALA   8           H        ALA   8  -7.357   5.064  -1.461
   65    HA   ALA   8           HA       ALA   8  -5.275   3.524  -0.111
   66   1HB   ALA   8          1HB       ALA   8  -7.364   5.377   0.722
   67   2HB   ALA   8          2HB       ALA   8  -5.839   4.960   1.505
   68   3HB   ALA   8          3HB       ALA   8  -7.260   3.942   1.744
   69    H    CYS   9           H        CYS   9  -5.469   1.438   0.465
   70    HA   CYS   9           HA       CYS   9  -7.317  -0.251  -0.763
   71   1HB   CYS   9          2HB       CYS   9  -5.009  -0.715   0.428
   72   2HB   CYS   9          1HB       CYS   9  -6.035  -1.068   1.812
   73    H    TRP  10           H        TRP  10  -7.591   1.613   2.115
   74    HA   TRP  10           HA       TRP  10  -9.959   0.105   2.972
   75   1HB   TRP  10          2HB       TRP  10  -9.543   2.087   4.863
   76   2HB   TRP  10          1HB       TRP  10  -9.035   0.417   5.002
   77    HD1  TRP  10           HD       TRP  10  -6.395  -0.044   4.039
   78    HE1  TRP  10           1HE      TRP  10  -4.342   1.485   4.340
   79    HE3  TRP  10           3HE      TRP  10  -8.808   4.278   5.116
   80    HZ2  TRP  10           2HZ      TRP  10  -3.828   4.206   4.963
   81    HZ3  TRP  10           3HZ      TRP  10  -7.491   6.321   5.556
   82    HH2  TRP  10           HH       TRP  10  -5.047   6.279   5.481
   83    H    SER  11           H        SER  11  -9.000   2.993   1.411
   84    HA   SER  11           HA       SER  11 -11.112   4.707   2.116
   85   1HB   SER  11          2HB       SER  11  -9.050   4.598   0.008
   86   2HB   SER  11          1HB       SER  11 -10.509   5.489  -0.426
   87    HG   SER  11           HG       SER  11  -9.125   5.926   2.002
   88    H    HIS  12           H        HIS  12 -10.787   2.270  -0.416
   89    HA   HIS  12           HA       HIS  12 -13.551   2.765  -1.253
   90   1HB   HIS  12          2HB       HIS  12 -11.151   1.931  -2.617
   91   2HB   HIS  12          1HB       HIS  12 -12.425   0.741  -2.856
   92    HD1  HIS  12           1HD      HIS  12 -14.751   2.955  -2.839
   93    HD2  HIS  12           2HD      HIS  12 -11.334   2.931  -5.206
   94    HE1  HIS  12           1HE      HIS  12 -15.312   4.364  -4.844
   95    HE2  HIS  12           2HE      HIS  12 -13.257   4.271  -6.300
   96    H    SER  13           H        SER  13 -11.642  -0.228  -1.153
   97    HA   SER  13           HA       SER  13 -12.779  -1.547   0.952
   98   1HB   SER  13          2HB       SER  13 -14.993  -1.374   0.184
   99   2HB   SER  13          1HB       SER  13 -14.532  -1.660  -1.494
  100    HG   SER  13           HG       SER  13 -14.311  -3.793  -1.082
  101    H    GLY  14           H        GLY  14 -10.685  -2.417   0.865
  102   1HA   GLY  14          2HA       GLY  14 -10.439  -4.664  -1.009
  103   2HA   GLY  14          1HA       GLY  14  -9.112  -3.519  -0.872
  104    H    VAL  15           H        VAL  15  -7.952  -5.540  -0.308
  105    HA   VAL  15           HA       VAL  15  -7.988  -5.894   2.599
  106    HB   VAL  15           HB       VAL  15  -7.749  -8.246   0.725
  107   1HG1  VAL  15          1HG1      VAL  15  -6.705  -8.917   2.650
  108   2HG1  VAL  15          2HG1      VAL  15  -8.370  -9.357   3.027
  109   3HG1  VAL  15          3HG1      VAL  15  -7.682  -7.869   3.678
  110   1HG2  VAL  15          1HG2      VAL  15 -10.132  -7.020   2.025
  111   2HG2  VAL  15          2HG2      VAL  15 -10.047  -8.777   1.890
  112   3HG2  VAL  15          3HG2      VAL  15  -9.976  -7.776   0.440
  113    H    CYS  16           H        CYS  16  -5.994  -6.821   3.446
  114    HA   CYS  16           HA       CYS  16  -3.693  -6.258   1.693
  115   1HB   CYS  16          2HB       CYS  16  -3.938  -5.959   4.694
  116   2HB   CYS  16          1HB       CYS  16  -2.445  -5.742   3.789
  117    H    ARG  17           H        ARG  17  -3.030  -8.186   0.958
  118    HA   ARG  17           HA       ARG  17  -2.710 -10.374   2.904
  119   1HB   ARG  17          2HB       ARG  17  -2.742 -10.711  -0.088
  120   2HB   ARG  17          1HB       ARG  17  -2.986 -11.936   1.150
  121   1HG   ARG  17          2HG       ARG  17  -4.988 -10.034   1.577
  122   2HG   ARG  17          1HG       ARG  17  -4.908 -10.260  -0.170
  123   1HD   ARG  17          2HD       ARG  17  -5.987 -12.193   0.015
  124   2HD   ARG  17          1HD       ARG  17  -4.727 -12.814   1.078
  125    HE   ARG  17           HE       ARG  17  -7.316 -11.820   1.846
  126   1HH1  ARG  17          1HH1      ARG  17  -4.050 -12.443   2.910
  127   2HH1  ARG  17          2HH1      ARG  17  -4.483 -12.557   4.582
  128   1HH2  ARG  17          1HH2      ARG  17  -7.887 -11.969   4.046
  129   2HH2  ARG  17          2HH2      ARG  17  -6.661 -12.287   5.228
  130    H    ASP  18           H        ASP  18  -0.844 -11.820   2.519
  131    HA   ASP  18           HA       ASP  18   1.551 -10.333   2.382
  132   1HB   ASP  18          2HB       ASP  18   0.860 -13.228   2.653
  133   2HB   ASP  18          1HB       ASP  18   2.516 -12.794   2.241
  134    H    LYS  19           H        LYS  19   2.934  -9.980   0.766
  135    HA   LYS  19           HA       LYS  19   2.128 -10.246  -1.905
  136   1HB   LYS  19          2HB       LYS  19   4.353  -9.454  -2.489
  137   2HB   LYS  19          1HB       LYS  19   3.717  -8.538  -1.129
  138   1HG   LYS  19          2HG       LYS  19   5.122  -9.669   0.407
  139   2HG   LYS  19          1HG       LYS  19   5.589 -10.865  -0.804
  140   1HD   LYS  19          2HD       LYS  19   6.119  -8.033  -1.470
  141   2HD   LYS  19          1HD       LYS  19   7.096  -8.734  -0.179
  142   1HE   LYS  19          2HE       LYS  19   6.816 -10.451  -2.533
  143   2HE   LYS  19          1HE       LYS  19   7.635  -8.922  -2.853
  144   1HZ   LYS  19          1HZ       LYS  19   9.410 -10.100  -2.164
  145   2HZ   LYS  19          2HZ       LYS  19   8.496 -11.187  -1.246
  146   3HZ   LYS  19          3HZ       LYS  19   8.865  -9.658  -0.625
  147    H    SER  20           H        SER  20   3.583 -12.521   0.190
  148    HA   SER  20           HA       SER  20   4.715 -14.091  -1.984
  149   1HB   SER  20          2HB       SER  20   5.336 -13.780   0.739
  150   2HB   SER  20          1HB       SER  20   4.751 -15.434   0.571
  151    HG   SER  20           HG       SER  20   6.406 -15.913  -0.700
  152    H    GLU  21           H        GLU  21   1.701 -13.666  -1.411
  153    HA   GLU  21           HA       GLU  21   0.852 -16.387  -0.926
  154   1HB   GLU  21          2HB       GLU  21  -0.277 -13.904  -0.412
  155   2HB   GLU  21          1HB       GLU  21  -1.239 -14.538  -1.732
  156   1HG   GLU  21          2HG       GLU  21  -0.932 -16.658   0.053
  157   2HG   GLU  21          1HG       GLU  21  -1.248 -15.242   1.052
  158    H    ARG  22           H        ARG  22  -0.496 -17.488  -2.349
  159    HA   ARG  22           HA       ARG  22   0.077 -16.951  -5.164
  160   1HB   ARG  22          2HB       ARG  22  -0.086 -19.352  -3.500
  161   2HB   ARG  22          1HB       ARG  22  -0.922 -19.503  -5.033
  162   1HG   ARG  22          2HG       ARG  22   1.596 -18.292  -5.515
  163   2HG   ARG  22          1HG       ARG  22   1.846 -19.707  -4.495
  164   1HD   ARG  22          2HD       ARG  22   1.711 -20.960  -6.328
  165   2HD   ARG  22          1HD       ARG  22   0.007 -20.520  -6.433
  166    HE   ARG  22           HE       ARG  22   2.171 -19.523  -8.059
  167   1HH1  ARG  22          1HH1      ARG  22  -1.083 -18.959  -6.928
  168   2HH1  ARG  22          2HH1      ARG  22  -1.498 -17.929  -8.254
  169   1HH2  ARG  22          1HH2      ARG  22   1.624 -18.166  -9.804
  170   2HH2  ARG  22          2HH2      ARG  22   0.037 -17.479  -9.886
  171    H    ASN  23           H        ASN  23  -2.435 -16.969  -2.881
  172    HA   ASN  23           HA       ASN  23  -4.462 -17.063  -5.016
  173   1HB   ASN  23          2HB       ASN  23  -4.495 -18.720  -2.986
  174   2HB   ASN  23          1HB       ASN  23  -5.151 -17.340  -2.110
  175   1HD2  ASN  23          1HD2      ASN  23  -6.447 -19.831  -2.677
  176   2HD2  ASN  23          2HD2      ASN  23  -7.847 -19.469  -3.623
  177    H    CYS  24           H        CYS  24  -3.723 -14.785  -5.368
  178    HA   CYS  24           HA       CYS  24  -5.458 -13.003  -3.850
  179   1HB   CYS  24          2HB       CYS  24  -2.889 -13.100  -3.072
  180   2HB   CYS  24          1HB       CYS  24  -2.742 -11.931  -4.379
  181    H    LYS  25           H        LYS  25  -6.196 -11.247  -5.000
  182    HA   LYS  25           HA       LYS  25  -5.443 -11.190  -7.847
  183   1HB   LYS  25          2HB       LYS  25  -8.039 -10.919  -6.432
  184   2HB   LYS  25          1HB       LYS  25  -7.797  -9.896  -7.841
  185   1HG   LYS  25          2HG       LYS  25  -6.954 -12.427  -8.640
  186   2HG   LYS  25          1HG       LYS  25  -8.416 -12.705  -7.692
  187   1HD   LYS  25          2HD       LYS  25  -9.309 -10.680  -9.137
  188   2HD   LYS  25          1HD       LYS  25  -8.055 -11.228 -10.251
  189   1HE   LYS  25          2HE       LYS  25  -9.149 -13.141 -10.753
  190   2HE   LYS  25          1HE       LYS  25  -9.785 -13.330  -9.120
  191   1HZ   LYS  25          1HZ       LYS  25 -11.138 -11.191  -9.926
  192   2HZ   LYS  25          2HZ       LYS  25 -11.699 -12.773 -10.131
  193   3HZ   LYS  25          3HZ       LYS  25 -10.940 -11.974 -11.413
  194    HA   PRO  26           HA       PRO  26  -3.546  -7.325  -6.171
  195   1HB   PRO  26          2HB       PRO  26  -2.674  -7.429  -9.028
  196   2HB   PRO  26          1HB       PRO  26  -1.746  -7.009  -7.584
  197   1HG   PRO  26          2HG       PRO  26  -1.467  -9.397  -8.726
  198   2HG   PRO  26          1HG       PRO  26  -1.457  -9.224  -6.961
  199   1HD   PRO  26          2HD       PRO  26  -3.582 -10.293  -8.749
  200   2HD   PRO  26          1HD       PRO  26  -3.174 -10.740  -7.081
  201    H    MET  27           H        MET  27  -4.557  -5.428  -6.161
  202    HA   MET  27           HA       MET  27  -6.196  -4.690  -8.497
  203   1HB   MET  27          2HB       MET  27  -7.204  -5.222  -6.062
  204   2HB   MET  27          1HB       MET  27  -6.832  -3.517  -5.848
  205   1HG   MET  27          2HG       MET  27  -8.114  -3.747  -8.338
  206   2HG   MET  27          1HG       MET  27  -9.031  -4.738  -7.206
  207   1HE   MET  27          1HE       MET  27 -11.143  -2.931  -5.492
  208   2HE   MET  27          2HE       MET  27  -9.810  -2.683  -4.363
  209   3HE   MET  27          3HE       MET  27  -9.936  -4.197  -5.260
  210    H    ALA  28           H        ALA  28  -5.123  -3.168  -9.588
  211    HA   ALA  28           HA       ALA  28  -3.159  -1.478  -8.510
  212   1HB   ALA  28          1HB       ALA  28  -2.848  -0.769 -10.630
  213   2HB   ALA  28          2HB       ALA  28  -4.572  -0.535 -10.919
  214   3HB   ALA  28          3HB       ALA  28  -3.874  -2.152 -11.013
  215    H    TRP  29           H        TRP  29  -3.564   1.045  -9.243
  216    HA   TRP  29           HA       TRP  29  -4.325   3.011  -8.419
  217   1HB   TRP  29          2HB       TRP  29  -7.123   2.003  -8.548
  218   2HB   TRP  29          1HB       TRP  29  -6.448   3.529  -9.096
  219    HD1  TRP  29           HD       TRP  29  -7.906   0.556 -10.496
  220    HE1  TRP  29           1HE      TRP  29  -7.180   0.183 -12.936
  221    HE3  TRP  29           3HE      TRP  29  -3.932   3.767 -10.659
  222    HZ2  TRP  29           2HZ      TRP  29  -5.184   1.124 -14.698
  223    HZ3  TRP  29           3HZ      TRP  29  -2.666   3.972 -12.760
  224    HH2  TRP  29           HH       TRP  29  -3.280   2.676 -14.736
  225    H    THR  30           H        THR  30  -3.681   1.060  -6.413
  226    HA   THR  30           HA       THR  30  -4.752   2.342  -4.153
  227    HB   THR  30           HB       THR  30  -6.765   1.039  -4.748
  228    HG1  THR  30           1HG      THR  30  -6.130   1.477  -2.519
  229   1HG2  THR  30          1HG2      THR  30  -4.900  -1.280  -4.498
  230   2HG2  THR  30          2HG2      THR  30  -6.109  -0.943  -5.737
  231   3HG2  THR  30          3HG2      THR  30  -6.616  -1.452  -4.129
  232    H    TYR  31           H        TYR  31  -3.754   1.727  -2.227
  233    HA   TYR  31           HA       TYR  31  -1.815  -0.464  -2.358
  234   1HB   TYR  31          2HB       TYR  31  -0.028   0.947  -1.464
  235   2HB   TYR  31          1HB       TYR  31  -0.592   1.566  -3.012
  236    HD1  TYR  31           1HD      TYR  31  -1.016   2.041   0.659
  237    HD2  TYR  31           2HD      TYR  31  -1.218   3.801  -3.209
  238    HE1  TYR  31           1HE      TYR  31  -1.394   4.243   1.687
  239    HE2  TYR  31           2HE      TYR  31  -1.596   6.008  -2.191
  240    HH   TYR  31           HH       TYR  31  -0.985   6.717   0.945
  241    H    CYS  32           H        CYS  32  -0.931  -1.030  -0.219
  242    HA   CYS  32           HA       CYS  32  -2.970  -0.616   1.849
  243   1HB   CYS  32          2HB       CYS  32  -2.558  -2.933   1.238
  244   2HB   CYS  32          1HB       CYS  32  -0.845  -2.754   1.588
  245    H    GLU  33           H        GLU  33  -2.272  -0.426   4.073
  246    HA   GLU  33           HA       GLU  33  -0.481   1.680   4.474
  247   1HB   GLU  33          2HB       GLU  33  -1.528  -0.348   6.453
  248   2HB   GLU  33          1HB       GLU  33  -0.685   1.129   6.894
  249   1HG   GLU  33          2HG       GLU  33  -2.610   2.169   5.358
  250   2HG   GLU  33          1HG       GLU  33  -3.445   0.730   5.938
  251    H    ASN  34           H        ASN  34   0.059  -1.756   4.402
  252    HA   ASN  34           HA       ASN  34   2.703  -1.511   5.586
  253   1HB   ASN  34          2HB       ASN  34   0.883  -3.519   5.666
  254   2HB   ASN  34          1HB       ASN  34   1.906  -4.072   4.342
  255   1HD2  ASN  34          1HD2      ASN  34   1.458  -4.910   7.224
  256   2HD2  ASN  34          2HD2      ASN  34   3.055  -5.060   7.864
  257    H    ARG  35           H        ARG  35   4.590  -1.520   4.508
  258    HA   ARG  35           HA       ARG  35   4.540  -1.126   1.665
  259   1HB   ARG  35          2HB       ARG  35   6.329  -0.602   3.876
  260   2HB   ARG  35          1HB       ARG  35   7.196  -1.307   2.523
  261   1HG   ARG  35          2HG       ARG  35   7.261   1.079   2.348
  262   2HG   ARG  35          1HG       ARG  35   6.246   0.438   1.056
  263   1HD   ARG  35          2HD       ARG  35   5.075   2.293   1.903
  264   2HD   ARG  35          1HD       ARG  35   4.273   0.880   2.590
  265    HE   ARG  35           HE       ARG  35   6.073   1.537   4.492
  266   1HH1  ARG  35          1HH1      ARG  35   3.653   3.381   2.781
  267   2HH1  ARG  35          2HH1      ARG  35   3.380   4.476   4.095
  268   1HH2  ARG  35          1HH2      ARG  35   5.715   2.975   6.220
  269   2HH2  ARG  35          2HH2      ARG  35   4.552   4.246   6.046
  270    H    ASN  36           H        ASN  36   4.430  -3.875   3.443
  271    HA   ASN  36           HA       ASN  36   6.041  -5.381   1.486
  272   1HB   ASN  36          2HB       ASN  36   6.704  -5.373   4.016
  273   2HB   ASN  36          1HB       ASN  36   5.349  -6.485   4.188
  274   1HD2  ASN  36          1HD2      ASN  36   7.913  -6.041   1.775
  275   2HD2  ASN  36          2HD2      ASN  36   8.456  -7.681   1.801
  276    H    GLN  37           H        GLN  37   2.955  -4.798   2.764
  277    HA   GLN  37           HA       GLN  37   1.882  -7.342   1.803
  278   1HB   GLN  37          2HB       GLN  37   1.348  -5.974   4.074
  279   2HB   GLN  37          1HB       GLN  37   0.099  -5.325   3.025
  280   1HG   GLN  37          2HG       GLN  37  -0.819  -7.489   2.653
  281   2HG   GLN  37          1HG       GLN  37   0.557  -8.265   3.432
  282   1HE2  GLN  37          1HE2      GLN  37  -1.121  -9.313   4.705
  283   2HE2  GLN  37          2HE2      GLN  37  -1.746  -8.503   6.096
  284    H    LYS  38           H        LYS  38   0.217  -7.413   0.255
  285    HA   LYS  38           HA       LYS  38   0.145  -5.062  -1.496
  286   1HB   LYS  38          2HB       LYS  38  -1.022  -7.579  -2.489
  287   2HB   LYS  38          1HB       LYS  38   0.062  -6.449  -3.283
  288   1HG   LYS  38          2HG       LYS  38   1.737  -7.536  -1.464
  289   2HG   LYS  38          1HG       LYS  38   0.653  -8.895  -1.770
  290   1HD   LYS  38          2HD       LYS  38   1.600  -7.430  -4.151
  291   2HD   LYS  38          1HD       LYS  38   2.824  -8.345  -3.268
  292   1HE   LYS  38          2HE       LYS  38   2.022 -10.302  -3.987
  293   2HE   LYS  38          1HE       LYS  38   0.357  -9.842  -3.632
  294   1HZ   LYS  38          1HZ       LYS  38   1.870  -9.576  -6.120
  295   2HZ   LYS  38          2HZ       LYS  38   0.730  -8.377  -5.771
  296   3HZ   LYS  38          3HZ       LYS  38   0.248  -9.995  -5.881
  297    H    CYS  39           H        CYS  39  -1.840  -4.455  -2.518
  298    HA   CYS  39           HA       CYS  39  -4.153  -4.882  -0.772
  299   1HB   CYS  39          2HB       CYS  39  -3.518  -2.553  -1.125
  300   2HB   CYS  39          1HB       CYS  39  -3.625  -2.765  -2.868
  301    H    CYS  40           H        CYS  40  -5.256  -6.612  -1.428
  302    HA   CYS  40           HA       CYS  40  -5.655  -7.078  -4.284
  303   1HB   CYS  40          2HB       CYS  40  -5.634  -8.753  -1.846
  304   2HB   CYS  40          1HB       CYS  40  -6.782  -9.218  -3.089
  305    H    GLU  41           H        GLU  41  -7.832  -7.897  -4.934
  306    HA   GLU  41           HA       GLU  41  -9.810  -5.985  -4.372
  307   1HB   GLU  41          2HB       GLU  41  -9.568  -7.492  -6.433
  308   2HB   GLU  41          1HB       GLU  41 -10.383  -8.727  -5.481
  309   1HG   GLU  41          2HG       GLU  41 -12.255  -7.079  -5.153
  310   2HG   GLU  41          1HG       GLU  41 -11.461  -6.065  -6.357
  311    H    TYR  42           H        TYR  42 -10.003  -9.481  -3.674
  312    HA   TYR  42           HA       TYR  42 -11.225  -8.851  -1.089
  313   1HB   TYR  42          2HB       TYR  42 -12.533 -10.198  -3.374
  314   2HB   TYR  42          1HB       TYR  42 -12.752 -10.971  -1.807
  315    HD1  TYR  42           1HD      TYR  42 -12.923  -7.559  -3.331
  316    HD2  TYR  42           2HD      TYR  42 -14.564 -10.316  -0.538
  317    HE1  TYR  42           1HE      TYR  42 -14.701  -5.947  -2.793
  318    HE2  TYR  42           2HE      TYR  42 -16.347  -8.713   0.007
  319    HH   TYR  42           HH       TYR  42 -16.236  -5.488  -0.825
  Start of MODEL    3
    1   1H    ILE   1          1HT       ILE   1  -4.522  18.882 -11.664
    2   2H    ILE   1          2HT       ILE   1  -3.410  17.855 -10.854
    3   3H    ILE   1          3HT       ILE   1  -5.033  17.347 -11.097
    4    HA   ILE   1           HA       ILE   1  -4.556  17.622 -13.534
    5    HB   ILE   1           HB       ILE   1  -1.726  17.260 -12.554
    6   1HG1  ILE   1          2HG1      ILE   1  -1.757  19.627 -13.943
    7   2HG1  ILE   1          1HG1      ILE   1  -3.285  19.699 -13.071
    8   1HG2  ILE   1          1HG2      ILE   1  -3.072  17.257 -15.198
    9   2HG2  ILE   1          2HG2      ILE   1  -1.717  16.292 -14.613
   10   3HG2  ILE   1          3HG2      ILE   1  -1.461  17.968 -15.096
   11   1HD1  ILE   1          1HD1      ILE   1  -0.501  19.673 -12.026
   12   2HD1  ILE   1          2HD1      ILE   1  -1.804  19.028 -11.028
   13   3HD1  ILE   1          3HD1      ILE   1  -1.866  20.700 -11.585
   14    H    MED   2           H        DME   2  -4.290  15.654 -14.665
   15    HA   MED   2           HA       DME   2  -3.561  13.282 -13.144
   16   1HB   MED   2          1HB       DME   2  -3.802  12.109 -15.310
   17   2HB   MED   2          2HB       DME   2  -2.676  13.457 -15.390
   18   1HG   MED   2          1HG       DME   2  -5.324  14.337 -16.063
   19   2HG   MED   2          2HG       DME   2  -4.872  12.947 -17.047
   20   1HE   MED   2          1HE       DME   2  -2.633  13.427 -19.218
   21   2HE   MED   2          2HE       DME   2  -3.735  14.646 -19.857
   22   3HE   MED   2          3HE       DME   2  -4.374  13.231 -19.021
   23    H    PHE   3           H        PHE   3  -4.989  11.291 -13.589
   24    HA   PHE   3           HA       PHE   3  -7.736  12.040 -12.900
   25   1HB   PHE   3          2HB       PHE   3  -6.866  10.366 -15.214
   26   2HB   PHE   3          1HB       PHE   3  -8.340   9.912 -14.364
   27    HD1  PHE   3           1HD      PHE   3 -10.341  11.141 -14.636
   28    HD2  PHE   3           2HD      PHE   3  -6.700  12.595 -16.288
   29    HE1  PHE   3           1HE      PHE   3 -11.600  12.819 -15.922
   30    HE2  PHE   3           2HE      PHE   3  -7.950  14.276 -17.577
   31    HZ   PHE   3           HZ       PHE   3 -10.404  14.390 -17.395
   32    H    PHE   4           H        PHE   4  -7.538  11.398 -10.795
   33    HA   PHE   4           HA       PHE   4  -7.498   9.996  -9.006
   34   1HB   PHE   4          2HB       PHE   4  -8.535   8.404 -11.216
   35   2HB   PHE   4          1HB       PHE   4  -7.721   7.412 -10.010
   36    HD1  PHE   4           1HD      PHE   4  -8.337   8.451  -7.488
   37    HD2  PHE   4           2HD      PHE   4 -10.804   8.393 -10.954
   38    HE1  PHE   4           1HE      PHE   4 -10.339   8.543  -6.059
   39    HE2  PHE   4           2HE      PHE   4 -12.811   8.487  -9.533
   40    HZ   PHE   4           HZ       PHE   4 -12.579   8.562  -7.082
   41    H    GLU   5           H        GLU   5  -5.473  10.134  -8.205
   42    HA   GLU   5           HA       GLU   5  -3.368   8.485  -9.411
   43   1HB   GLU   5          2HB       GLU   5  -3.230  10.772  -7.440
   44   2HB   GLU   5          1HB       GLU   5  -1.836   9.832  -7.954
   45   1HG   GLU   5          2HG       GLU   5  -2.854  10.556 -10.348
   46   2HG   GLU   5          1HG       GLU   5  -3.322  11.938  -9.358
   47    H    MET   6           H        MET   6  -4.449   6.573  -8.479
   48    HA   MET   6           HA       MET   6  -4.599   4.890  -6.965
   49   1HB   MET   6          2HB       MET   6  -2.033   6.126  -6.623
   50   2HB   MET   6          1HB       MET   6  -2.608   5.535  -5.070
   51   1HG   MET   6          2HG       MET   6  -3.166   3.421  -6.669
   52   2HG   MET   6          1HG       MET   6  -1.723   4.066  -7.448
   53   1HE   MET   6          1HE       MET   6   0.459   4.224  -6.594
   54   2HE   MET   6          2HE       MET   6   1.112   3.474  -5.137
   55   3HE   MET   6          3HE       MET   6   0.292   5.032  -5.034
   56    H    GLN   7           H        GLN   7  -5.032   4.348  -4.655
   57    HA   GLN   7           HA       GLN   7  -5.812   6.576  -2.961
   58   1HB   GLN   7          2HB       GLN   7  -7.730   4.831  -4.403
   59   2HB   GLN   7          1HB       GLN   7  -8.098   5.181  -2.721
   60   1HG   GLN   7          2HG       GLN   7  -7.486   7.332  -4.722
   61   2HG   GLN   7          1HG       GLN   7  -9.114   6.711  -4.456
   62   1HE2  GLN   7          1HE2      GLN   7 -10.293   7.710  -2.993
   63   2HE2  GLN   7          2HE2      GLN   7  -9.698   8.719  -1.722
   64    H    ALA   8           H        ALA   8  -7.183   5.373  -1.008
   65    HA   ALA   8           HA       ALA   8  -5.194   3.665   0.194
   66   1HB   ALA   8          1HB       ALA   8  -7.574   5.151   1.118
   67   2HB   ALA   8          2HB       ALA   8  -5.972   5.007   1.841
   68   3HB   ALA   8          3HB       ALA   8  -7.147   3.705   2.031
   69    H    CYS   9           H        CYS   9  -5.504   1.546   0.931
   70    HA   CYS   9           HA       CYS   9  -7.031  -0.120  -0.768
   71   1HB   CYS   9          2HB       CYS   9  -4.892  -0.696   0.529
   72   2HB   CYS   9          1HB       CYS   9  -5.945  -0.971   1.909
   73    H    TRP  10           H        TRP  10  -7.654   1.318   2.341
   74    HA   TRP  10           HA       TRP  10  -9.960  -0.341   2.872
   75   1HB   TRP  10          2HB       TRP  10 -10.160   1.891   4.535
   76   2HB   TRP  10          1HB       TRP  10  -9.486   0.335   4.964
   77    HD1  TRP  10           HD       TRP  10  -6.684   0.151   4.570
   78    HE1  TRP  10           1HE      TRP  10  -4.923   1.987   4.992
   79    HE3  TRP  10           3HE      TRP  10  -9.756   4.180   4.546
   80    HZ2  TRP  10           2HZ      TRP  10  -4.867   4.811   5.277
   81    HZ3  TRP  10           3HZ      TRP  10  -8.802   6.431   4.897
   82    HH2  TRP  10           HH       TRP  10  -6.401   6.734   5.258
   83    H    SER  11           H        SER  11  -9.304   2.887   1.649
   84    HA   SER  11           HA       SER  11 -11.969   3.816   1.622
   85   1HB   SER  11          2HB       SER  11  -9.573   4.983   1.162
   86   2HB   SER  11          1HB       SER  11 -10.146   4.801  -0.495
   87    HG   SER  11           HG       SER  11 -10.748   6.767   0.879
   88    H    HIS  12           H        HIS  12 -10.193   1.709  -0.485
   89    HA   HIS  12           HA       HIS  12 -12.283   1.861  -2.530
   90   1HB   HIS  12          2HB       HIS  12  -9.540   1.681  -2.744
   91   2HB   HIS  12          1HB       HIS  12 -10.061   0.028  -3.043
   92    HD1  HIS  12           1HD      HIS  12 -12.209   0.003  -4.887
   93    HD2  HIS  12           2HD      HIS  12  -9.467   3.122  -5.017
   94    HE1  HIS  12           1HE      HIS  12 -12.426   0.994  -7.188
   95    HE2  HIS  12           2HE      HIS  12 -10.694   2.822  -7.274
   96    H    SER  13           H        SER  13 -12.106   0.330   0.241
   97    HA   SER  13           HA       SER  13 -12.928  -1.600   1.115
   98   1HB   SER  13          2HB       SER  13 -14.962  -0.944  -0.046
   99   2HB   SER  13          1HB       SER  13 -14.378  -1.674  -1.541
  100    HG   SER  13           HG       SER  13 -15.235  -3.452  -0.854
  101    H    GLY  14           H        GLY  14 -10.645  -2.360   0.860
  102   1HA   GLY  14          2HA       GLY  14 -10.647  -4.832  -0.724
  103   2HA   GLY  14          1HA       GLY  14  -9.298  -3.717  -0.886
  104    H    VAL  15           H        VAL  15  -8.071  -5.642  -0.196
  105    HA   VAL  15           HA       VAL  15  -7.816  -5.650   2.723
  106    HB   VAL  15           HB       VAL  15  -7.753  -8.208   1.125
  107   1HG1  VAL  15          1HG1      VAL  15  -6.471  -8.533   3.039
  108   2HG1  VAL  15          2HG1      VAL  15  -8.065  -9.123   3.513
  109   3HG1  VAL  15          3HG1      VAL  15  -7.524  -7.527   4.033
  110   1HG2  VAL  15          1HG2      VAL  15  -9.989  -6.986   2.729
  111   2HG2  VAL  15          2HG2      VAL  15  -9.924  -8.697   2.306
  112   3HG2  VAL  15          3HG2      VAL  15 -10.011  -7.476   1.036
  113    H    CYS  16           H        CYS  16  -5.748  -6.494   3.473
  114    HA   CYS  16           HA       CYS  16  -3.624  -6.123   1.466
  115   1HB   CYS  16          2HB       CYS  16  -3.672  -5.522   4.426
  116   2HB   CYS  16          1HB       CYS  16  -2.188  -5.545   3.479
  117    H    ARG  17           H        ARG  17  -3.048  -8.119   0.827
  118    HA   ARG  17           HA       ARG  17  -2.659 -10.185   2.883
  119   1HB   ARG  17          2HB       ARG  17  -2.700 -10.716  -0.073
  120   2HB   ARG  17          1HB       ARG  17  -3.031 -11.826   1.249
  121   1HG   ARG  17          2HG       ARG  17  -4.958  -9.854   1.525
  122   2HG   ARG  17          1HG       ARG  17  -4.830 -10.102  -0.218
  123   1HD   ARG  17          2HD       ARG  17  -5.461 -12.327  -0.076
  124   2HD   ARG  17          1HD       ARG  17  -5.007 -12.453   1.623
  125    HE   ARG  17           HE       ARG  17  -7.186 -10.642   1.131
  126   1HH1  ARG  17          1HH1      ARG  17  -6.302 -13.963   1.740
  127   2HH1  ARG  17          2HH1      ARG  17  -7.854 -14.389   2.377
  128   1HH2  ARG  17          1HH2      ARG  17  -9.228 -11.202   1.968
  129   2HH2  ARG  17          2HH2      ARG  17  -9.516 -12.822   2.506
  130    H    ASP  18           H        ASP  18  -0.859 -11.743   2.427
  131    HA   ASP  18           HA       ASP  18   1.592 -10.336   2.265
  132   1HB   ASP  18          2HB       ASP  18   0.750 -13.144   2.701
  133   2HB   ASP  18          1HB       ASP  18   2.379 -12.910   2.074
  134    H    LYS  19           H        LYS  19   2.957 -10.042   0.628
  135    HA   LYS  19           HA       LYS  19   2.147 -10.237  -2.022
  136   1HB   LYS  19          2HB       LYS  19   5.036 -10.234  -1.170
  137   2HB   LYS  19          1HB       LYS  19   4.335  -9.542  -2.626
  138   1HG   LYS  19          2HG       LYS  19   3.030  -8.267  -0.517
  139   2HG   LYS  19          1HG       LYS  19   4.724  -8.357  -0.031
  140   1HD   LYS  19          2HD       LYS  19   3.932  -7.420  -2.770
  141   2HD   LYS  19          1HD       LYS  19   3.958  -6.316  -1.394
  142   1HE   LYS  19          2HE       LYS  19   6.311  -8.018  -2.184
  143   2HE   LYS  19          1HE       LYS  19   6.054  -6.387  -2.802
  144   1HZ   LYS  19          1HZ       LYS  19   5.976  -6.781   0.096
  145   2HZ   LYS  19          2HZ       LYS  19   6.520  -5.453  -0.798
  146   3HZ   LYS  19          3HZ       LYS  19   7.486  -6.834  -0.666
  147    H    SER  20           H        SER  20   3.517 -12.649   0.024
  148    HA   SER  20           HA       SER  20   4.309 -14.333  -2.219
  149   1HB   SER  20          2HB       SER  20   5.190 -14.046   0.441
  150   2HB   SER  20          1HB       SER  20   4.479 -15.655   0.333
  151    HG   SER  20           HG       SER  20   5.817 -15.887  -1.618
  152    H    GLU  21           H        GLU  21   1.437 -13.636  -1.498
  153    HA   GLU  21           HA       GLU  21   0.330 -16.178  -0.743
  154   1HB   GLU  21          2HB       GLU  21  -0.724 -14.265   0.201
  155   2HB   GLU  21          1HB       GLU  21  -0.854 -13.475  -1.365
  156   1HG   GLU  21          2HG       GLU  21  -2.683 -14.635  -1.950
  157   2HG   GLU  21          1HG       GLU  21  -2.160 -16.079  -1.091
  158    H    ARG  22           H        ARG  22  -0.495 -17.606  -2.089
  159    HA   ARG  22           HA       ARG  22  -0.167 -17.213  -4.935
  160   1HB   ARG  22          2HB       ARG  22  -0.288 -19.456  -3.115
  161   2HB   ARG  22          1HB       ARG  22  -1.338 -19.717  -4.499
  162   1HG   ARG  22          2HG       ARG  22   1.166 -18.678  -5.400
  163   2HG   ARG  22          1HG       ARG  22   1.447 -20.059  -4.340
  164   1HD   ARG  22          2HD       ARG  22  -0.504 -21.105  -5.789
  165   2HD   ARG  22          1HD       ARG  22   0.062 -19.923  -6.968
  166    HE   ARG  22           HE       ARG  22   2.196 -21.467  -5.856
  167   1HH1  ARG  22          1HH1      ARG  22  -0.334 -21.479  -8.260
  168   2HH1  ARG  22          2HH1      ARG  22   0.473 -22.618  -9.285
  169   1HH2  ARG  22          1HH2      ARG  22   3.260 -22.964  -7.202
  170   2HH2  ARG  22          2HH2      ARG  22   2.514 -23.461  -8.684
  171    H    ASN  23           H        ASN  23  -2.670 -16.747  -2.741
  172    HA   ASN  23           HA       ASN  23  -4.659 -16.924  -4.906
  173   1HB   ASN  23          2HB       ASN  23  -4.952 -18.616  -3.049
  174   2HB   ASN  23          1HB       ASN  23  -5.261 -17.265  -1.963
  175   1HD2  ASN  23          1HD2      ASN  23  -6.808 -19.590  -3.411
  176   2HD2  ASN  23          2HD2      ASN  23  -8.292 -18.817  -3.842
  177    H    CYS  24           H        CYS  24  -3.725 -14.671  -5.196
  178    HA   CYS  24           HA       CYS  24  -5.404 -12.800  -3.685
  179   1HB   CYS  24          2HB       CYS  24  -2.801 -12.968  -3.068
  180   2HB   CYS  24          1HB       CYS  24  -2.685 -11.856  -4.428
  181    H    LYS  25           H        LYS  25  -6.201 -11.092  -4.843
  182    HA   LYS  25           HA       LYS  25  -5.673 -11.149  -7.737
  183   1HB   LYS  25          2HB       LYS  25  -8.087 -10.302  -6.141
  184   2HB   LYS  25          1HB       LYS  25  -7.891  -9.884  -7.838
  185   1HG   LYS  25          2HG       LYS  25  -7.829 -12.227  -8.442
  186   2HG   LYS  25          1HG       LYS  25  -7.930 -12.688  -6.741
  187   1HD   LYS  25          2HD       LYS  25 -10.046 -10.869  -7.677
  188   2HD   LYS  25          1HD       LYS  25 -10.064 -12.479  -8.400
  189   1HE   LYS  25          2HE       LYS  25 -10.147 -13.506  -6.220
  190   2HE   LYS  25          1HE       LYS  25  -9.966 -11.937  -5.435
  191   1HZ   LYS  25          1HZ       LYS  25 -12.208 -12.182  -5.323
  192   2HZ   LYS  25          2HZ       LYS  25 -12.311 -13.104  -6.737
  193   3HZ   LYS  25          3HZ       LYS  25 -12.114 -11.427  -6.834
  194    HA   PRO  26           HA       PRO  26  -3.294  -7.395  -6.600
  195   1HB   PRO  26          2HB       PRO  26  -3.159  -7.498  -9.586
  196   2HB   PRO  26          1HB       PRO  26  -1.884  -7.138  -8.415
  197   1HG   PRO  26          2HG       PRO  26  -2.020  -9.528  -9.582
  198   2HG   PRO  26          1HG       PRO  26  -1.565  -9.369  -7.876
  199   1HD   PRO  26          2HD       PRO  26  -4.105 -10.335  -9.075
  200   2HD   PRO  26          1HD       PRO  26  -3.335 -10.784  -7.541
  201    H    MET  27           H        MET  27  -4.424  -5.627  -6.130
  202    HA   MET  27           HA       MET  27  -6.455  -4.681  -8.034
  203   1HB   MET  27          2HB       MET  27  -6.731  -5.173  -5.369
  204   2HB   MET  27          1HB       MET  27  -6.347  -3.457  -5.352
  205   1HG   MET  27          2HG       MET  27  -8.508  -4.606  -7.086
  206   2HG   MET  27          1HG       MET  27  -8.795  -4.087  -5.426
  207   1HE   MET  27          1HE       MET  27 -10.088  -0.943  -5.818
  208   2HE   MET  27          2HE       MET  27 -10.377  -2.673  -5.633
  209   3HE   MET  27          3HE       MET  27 -10.726  -1.880  -7.169
  210    H    ALA  28           H        ALA  28  -5.828  -3.061  -9.296
  211    HA   ALA  28           HA       ALA  28  -3.507  -1.494  -8.726
  212   1HB   ALA  28          1HB       ALA  28  -4.146  -2.146 -11.015
  213   2HB   ALA  28          2HB       ALA  28  -3.951  -0.402 -10.838
  214   3HB   ALA  28          3HB       ALA  28  -5.566  -1.107 -10.895
  215    H    TRP  29           H        TRP  29  -3.899   1.008  -9.359
  216    HA   TRP  29           HA       TRP  29  -4.342   2.983  -8.300
  217   1HB   TRP  29          2HB       TRP  29  -7.236   2.235  -8.527
  218   2HB   TRP  29          1HB       TRP  29  -6.451   3.778  -8.836
  219    HD1  TRP  29           HD       TRP  29  -7.823   0.860 -10.613
  220    HE1  TRP  29           1HE      TRP  29  -7.143   0.908 -13.095
  221    HE3  TRP  29           3HE      TRP  29  -4.205   4.464 -10.393
  222    HZ2  TRP  29           2HZ      TRP  29  -5.315   2.293 -14.742
  223    HZ3  TRP  29           3HZ      TRP  29  -3.039   5.093 -12.467
  224    HH2  TRP  29           HH       TRP  29  -3.583   4.029 -14.595
  225    H    THR  30           H        THR  30  -3.627   1.372  -6.319
  226    HA   THR  30           HA       THR  30  -4.905   2.451  -4.066
  227    HB   THR  30           HB       THR  30  -6.720   0.929  -4.588
  228    HG1  THR  30           1HG      THR  30  -5.944   1.201  -2.353
  229   1HG2  THR  30          1HG2      THR  30  -6.566  -1.275  -5.053
  230   2HG2  THR  30          2HG2      THR  30  -5.111  -1.495  -4.082
  231   3HG2  THR  30          3HG2      THR  30  -5.001  -0.765  -5.684
  232    H    TYR  31           H        TYR  31  -3.769   2.080  -2.185
  233    HA   TYR  31           HA       TYR  31  -1.467   0.255  -2.376
  234   1HB   TYR  31          2HB       TYR  31  -0.174   1.955  -1.050
  235   2HB   TYR  31          1HB       TYR  31  -0.579   2.462  -2.686
  236    HD1  TYR  31           1HD      TYR  31  -1.964   2.677   0.782
  237    HD2  TYR  31           2HD      TYR  31  -1.421   4.592  -2.978
  238    HE1  TYR  31           1HE      TYR  31  -3.001   4.718   1.678
  239    HE2  TYR  31           2HE      TYR  31  -2.456   6.639  -2.092
  240    HH   TYR  31           HH       TYR  31  -2.692   7.513   0.716
  241    H    CYS  32           H        CYS  32  -0.605  -0.426  -0.273
  242    HA   CYS  32           HA       CYS  32  -2.778  -0.733   1.666
  243   1HB   CYS  32          2HB       CYS  32  -0.449  -2.364   0.847
  244   2HB   CYS  32          1HB       CYS  32  -0.862  -2.417   2.556
  245    H    GLU  33           H        GLU  33  -1.892  -1.021   4.008
  246    HA   GLU  33           HA       GLU  33  -0.727   1.492   4.740
  247   1HB   GLU  33          2HB       GLU  33  -2.262  -0.547   6.015
  248   2HB   GLU  33          1HB       GLU  33  -0.814  -0.274   6.973
  249   1HG   GLU  33          2HG       GLU  33  -2.750   1.860   6.101
  250   2HG   GLU  33          1HG       GLU  33  -2.700   1.111   7.697
  251    H    ASN  34           H        ASN  34   0.331  -1.881   4.778
  252    HA   ASN  34           HA       ASN  34   2.927  -1.131   5.851
  253   1HB   ASN  34          2HB       ASN  34   1.414  -3.373   6.168
  254   2HB   ASN  34          1HB       ASN  34   2.518  -3.896   4.900
  255   1HD2  ASN  34          1HD2      ASN  34   4.841  -3.490   5.326
  256   2HD2  ASN  34          2HD2      ASN  34   5.410  -3.711   6.941
  257    H    ARG  35           H        ARG  35   4.905  -1.579   4.769
  258    HA   ARG  35           HA       ARG  35   4.715  -1.178   1.895
  259   1HB   ARG  35          2HB       ARG  35   6.522  -0.372   3.945
  260   2HB   ARG  35          1HB       ARG  35   7.425  -1.312   2.766
  261   1HG   ARG  35          2HG       ARG  35   5.610   0.673   1.603
  262   2HG   ARG  35          1HG       ARG  35   6.919   1.345   2.578
  263   1HD   ARG  35          2HD       ARG  35   7.542  -0.777   0.578
  264   2HD   ARG  35          1HD       ARG  35   7.245   0.866   0.013
  265    HE   ARG  35           HE       ARG  35   9.129   0.777   2.160
  266   1HH1  ARG  35          1HH1      ARG  35   8.768   0.349  -1.285
  267   2HH1  ARG  35          2HH1      ARG  35  10.424   0.719  -1.631
  268   1HH2  ARG  35          1HH2      ARG  35  11.307   1.264   1.707
  269   2HH2  ARG  35          2HH2      ARG  35  11.866   1.238   0.068
  270    H    ASN  36           H        ASN  36   4.273  -3.842   3.355
  271    HA   ASN  36           HA       ASN  36   5.960  -5.407   1.546
  272   1HB   ASN  36          2HB       ASN  36   6.725  -5.298   4.071
  273   2HB   ASN  36          1HB       ASN  36   5.434  -6.476   4.288
  274   1HD2  ASN  36          1HD2      ASN  36   7.870  -5.913   1.772
  275   2HD2  ASN  36          2HD2      ASN  36   8.502  -7.520   1.787
  276    H    GLN  37           H        GLN  37   3.010  -4.523   2.029
  277    HA   GLN  37           HA       GLN  37   1.856  -7.182   1.563
  278   1HB   GLN  37          2HB       GLN  37   1.339  -5.519   3.734
  279   2HB   GLN  37          1HB       GLN  37  -0.022  -5.250   2.658
  280   1HG   GLN  37          2HG       GLN  37  -0.693  -7.478   2.754
  281   2HG   GLN  37          1HG       GLN  37   0.876  -8.011   3.355
  282   1HE2  GLN  37          1HE2      GLN  37  -0.434  -9.116   4.967
  283   2HE2  GLN  37          2HE2      GLN  37  -0.940  -8.250   6.374
  284    H    LYS  38           H        LYS  38   0.176  -7.294   0.040
  285    HA   LYS  38           HA       LYS  38   0.049  -4.969  -1.754
  286   1HB   LYS  38          2HB       LYS  38  -1.078  -7.464  -2.783
  287   2HB   LYS  38          1HB       LYS  38   0.090  -6.373  -3.511
  288   1HG   LYS  38          2HG       LYS  38   1.733  -7.454  -1.792
  289   2HG   LYS  38          1HG       LYS  38   0.540  -8.753  -1.779
  290   1HD   LYS  38          2HD       LYS  38   1.402  -7.730  -4.425
  291   2HD   LYS  38          1HD       LYS  38   2.573  -8.680  -3.508
  292   1HE   LYS  38          2HE       LYS  38   1.470 -10.590  -3.877
  293   2HE   LYS  38          1HE       LYS  38  -0.092  -9.856  -3.518
  294   1HZ   LYS  38          1HZ       LYS  38   0.610 -10.694  -5.935
  295   2HZ   LYS  38          2HZ       LYS  38   1.124  -9.086  -6.041
  296   3HZ   LYS  38          3HZ       LYS  38  -0.491  -9.435  -5.677
  297    H    CYS  39           H        CYS  39  -1.931  -4.256  -2.584
  298    HA   CYS  39           HA       CYS  39  -4.205  -4.837  -0.851
  299   1HB   CYS  39          2HB       CYS  39  -3.597  -2.482  -1.202
  300   2HB   CYS  39          1HB       CYS  39  -3.844  -2.671  -2.933
  301    H    CYS  40           H        CYS  40  -5.243  -6.595  -1.511
  302    HA   CYS  40           HA       CYS  40  -5.736  -7.015  -4.356
  303   1HB   CYS  40          2HB       CYS  40  -5.651  -8.736  -1.930
  304   2HB   CYS  40          1HB       CYS  40  -6.696  -9.231  -3.248
  305    H    GLU  41           H        GLU  41  -7.899  -7.846  -4.971
  306    HA   GLU  41           HA       GLU  41  -9.930  -6.055  -4.144
  307   1HB   GLU  41          2HB       GLU  41  -9.545  -7.550  -6.356
  308   2HB   GLU  41          1HB       GLU  41 -10.729  -8.550  -5.526
  309   1HG   GLU  41          2HG       GLU  41 -12.137  -6.454  -5.312
  310   2HG   GLU  41          1HG       GLU  41 -11.022  -5.715  -6.460
  311    H    TYR  42           H        TYR  42  -9.528  -9.559  -3.663
  312    HA   TYR  42           HA       TYR  42 -11.162  -9.334  -1.237
  313   1HB   TYR  42          2HB       TYR  42 -12.248 -10.374  -3.476
  314   2HB   TYR  42          1HB       TYR  42 -11.498 -11.820  -2.810
  315    HD1  TYR  42           1HD      TYR  42 -13.036 -13.146  -1.730
  316    HD2  TYR  42           2HD      TYR  42 -13.343  -8.923  -1.324
  317    HE1  TYR  42           1HE      TYR  42 -14.942 -13.437  -0.203
  318    HE2  TYR  42           2HE      TYR  42 -15.249  -9.201   0.204
  319    HH   TYR  42           HH       TYR  42 -16.836 -12.212   0.635
  Start of MODEL    4
    1   1H    ILE   1          1HT       ILE   1  -3.436  11.807 -15.284
    2   2H    ILE   1          2HT       ILE   1  -5.100  11.970 -14.897
    3   3H    ILE   1          3HT       ILE   1  -3.902  12.336 -13.722
    4    HA   ILE   1           HA       ILE   1  -3.283  14.249 -14.721
    5    HB   ILE   1           HB       ILE   1  -2.991  13.301 -16.971
    6   1HG1  ILE   1          2HG1      ILE   1  -4.760  15.720 -17.244
    7   2HG1  ILE   1          1HG1      ILE   1  -3.192  15.827 -16.450
    8   1HG2  ILE   1          1HG2      ILE   1  -5.753  13.880 -17.803
    9   2HG2  ILE   1          2HG2      ILE   1  -5.545  12.454 -16.787
   10   3HG2  ILE   1          3HG2      ILE   1  -4.659  12.591 -18.306
   11   1HD1  ILE   1          1HD1      ILE   1  -3.504  14.710 -19.214
   12   2HD1  ILE   1          2HD1      ILE   1  -2.042  15.300 -18.420
   13   3HD1  ILE   1          3HD1      ILE   1  -3.300  16.435 -18.908
   14    H    MED   2           H        DME   2  -4.362  16.015 -14.101
   15    HA   MED   2           HA       DME   2  -7.288  16.046 -14.350
   16   1HB   MED   2          1HB       DME   2  -5.422  17.962 -15.019
   17   2HB   MED   2          2HB       DME   2  -6.002  18.520 -13.456
   18   1HG   MED   2          1HG       DME   2  -8.163  18.822 -14.216
   19   2HG   MED   2          2HG       DME   2  -7.943  17.728 -15.581
   20   1HE   MED   2          1HE       DME   2  -8.555  18.716 -17.504
   21   2HE   MED   2          2HE       DME   2  -8.088  20.279 -18.176
   22   3HE   MED   2          3HE       DME   2  -9.296  20.196 -16.894
   23    H    PHE   3           H        PHE   3  -7.777  14.782 -12.543
   24    HA   PHE   3           HA       PHE   3  -6.832  15.663  -9.932
   25   1HB   PHE   3          2HB       PHE   3  -9.027  16.885 -10.711
   26   2HB   PHE   3          1HB       PHE   3  -9.793  15.363 -10.267
   27    HD1  PHE   3           1HD      PHE   3 -10.483  15.045  -8.094
   28    HD2  PHE   3           2HD      PHE   3  -7.455  17.923  -8.904
   29    HE1  PHE   3           1HE      PHE   3 -10.530  15.752  -5.737
   30    HE2  PHE   3           2HE      PHE   3  -7.497  18.635  -6.550
   31    HZ   PHE   3           HZ       PHE   3  -9.035  17.549  -4.963
   32    H    PHE   4           H        PHE   4  -5.822  13.531 -10.224
   33    HA   PHE   4           HA       PHE   4  -7.295  11.517  -8.852
   34   1HB   PHE   4          2HB       PHE   4  -6.971  11.319 -11.813
   35   2HB   PHE   4          1HB       PHE   4  -6.806   9.848 -10.858
   36    HD1  PHE   4           1HD      PHE   4  -9.009  11.343 -12.859
   37    HD2  PHE   4           2HD      PHE   4  -8.783  10.023  -8.820
   38    HE1  PHE   4           1HE      PHE   4 -11.458  11.114 -12.800
   39    HE2  PHE   4           2HE      PHE   4 -11.231   9.790  -8.755
   40    HZ   PHE   4           HZ       PHE   4 -12.572  10.336 -10.747
   41    H    GLU   5           H        GLU   5  -5.868  10.504  -7.611
   42    HA   GLU   5           HA       GLU   5  -3.235   9.827  -8.652
   43   1HB   GLU   5          2HB       GLU   5  -3.360  12.155  -7.370
   44   2HB   GLU   5          1HB       GLU   5  -3.261  11.106  -5.962
   45   1HG   GLU   5          2HG       GLU   5  -1.054  11.646  -6.378
   46   2HG   GLU   5          1HG       GLU   5  -1.229  10.066  -7.140
   47    H    MET   6           H        MET   6  -4.152   7.703  -8.501
   48    HA   MET   6           HA       MET   6  -4.558   5.693  -7.515
   49   1HB   MET   6          2HB       MET   6  -2.277   6.875  -6.241
   50   2HB   MET   6          1HB       MET   6  -3.165   5.919  -5.062
   51   1HG   MET   6          2HG       MET   6  -3.112   4.267  -7.243
   52   2HG   MET   6          1HG       MET   6  -1.547   5.073  -7.330
   53   1HE   MET   6          1HE       MET   6  -0.052   2.066  -5.801
   54   2HE   MET   6          2HE       MET   6  -0.461   2.963  -7.263
   55   3HE   MET   6          3HE       MET   6  -1.545   1.706  -6.668
   56    H    GLN   7           H        GLN   7  -4.900   4.796  -4.980
   57    HA   GLN   7           HA       GLN   7  -6.765   6.547  -3.599
   58   1HB   GLN   7          2HB       GLN   7  -7.563   4.085  -5.093
   59   2HB   GLN   7          1HB       GLN   7  -8.390   4.469  -3.591
   60   1HG   GLN   7          2HG       GLN   7  -8.693   6.813  -4.668
   61   2HG   GLN   7          1HG       GLN   7  -8.372   5.956  -6.175
   62   1HE2  GLN   7          1HE2      GLN   7 -10.112   5.295  -7.190
   63   2HE2  GLN   7          2HE2      GLN   7 -11.619   4.860  -6.466
   64    H    ALA   8           H        ALA   8  -7.853   4.987  -1.768
   65    HA   ALA   8           HA       ALA   8  -5.534   3.884  -0.352
   66   1HB   ALA   8          1HB       ALA   8  -7.434   3.966   1.542
   67   2HB   ALA   8          2HB       ALA   8  -8.018   5.245   0.479
   68   3HB   ALA   8          3HB       ALA   8  -6.391   5.334   1.154
   69    H    CYS   9           H        CYS   9  -5.458   1.811   0.381
   70    HA   CYS   9           HA       CYS   9  -6.905  -0.182  -0.931
   71   1HB   CYS   9          2HB       CYS   9  -4.669  -0.380   0.283
   72   2HB   CYS   9          1HB       CYS   9  -5.602  -0.550   1.762
   73    H    TRP  10           H        TRP  10  -7.557   1.538   2.023
   74    HA   TRP  10           HA       TRP  10  -9.722  -0.267   2.755
   75   1HB   TRP  10          2HB       TRP  10  -9.887   1.973   4.417
   76   2HB   TRP  10          1HB       TRP  10  -9.154   0.434   4.813
   77    HD1  TRP  10           HD       TRP  10  -6.375   0.315   4.167
   78    HE1  TRP  10           1HE      TRP  10  -4.629   2.182   4.504
   79    HE3  TRP  10           3HE      TRP  10  -9.531   4.268   4.503
   80    HZ2  TRP  10           2HZ      TRP  10  -4.614   4.996   4.867
   81    HZ3  TRP  10           3HZ      TRP  10  -8.601   6.530   4.842
   82    HH2  TRP  10           HH       TRP  10  -6.187   6.881   5.022
   83    H    SER  11           H        SER  11  -9.252   3.018   1.567
   84    HA   SER  11           HA       SER  11 -11.889   3.914   1.691
   85   1HB   SER  11          2HB       SER  11 -10.013   5.410   1.211
   86   2HB   SER  11          1HB       SER  11  -9.753   4.609  -0.339
   87    HG   SER  11           HG       SER  11 -12.171   5.902   0.387
   88    H    HIS  12           H        HIS  12 -10.331   1.743  -0.538
   89    HA   HIS  12           HA       HIS  12 -12.670   1.768  -2.303
   90   1HB   HIS  12          2HB       HIS  12  -9.901   1.510  -2.775
   91   2HB   HIS  12          1HB       HIS  12 -10.612  -0.054  -3.155
   92    HD1  HIS  12           1HD      HIS  12 -13.188   0.672  -4.502
   93    HD2  HIS  12           2HD      HIS  12  -9.657   2.763  -5.155
   94    HE1  HIS  12           1HE      HIS  12 -13.475   1.798  -6.732
   95    HE2  HIS  12           2HE      HIS  12 -11.293   2.986  -7.145
   96    H    SER  13           H        SER  13 -12.221   0.406   0.471
   97    HA   SER  13           HA       SER  13 -12.822  -1.520   1.520
   98   1HB   SER  13          2HB       SER  13 -14.842  -2.546   0.766
   99   2HB   SER  13          1HB       SER  13 -14.965  -0.838   0.348
  100    HG   SER  13           HG       SER  13 -15.534  -1.862  -1.480
  101    H    GLY  14           H        GLY  14 -10.558  -2.227   0.991
  102   1HA   GLY  14          2HA       GLY  14 -10.678  -4.702  -0.611
  103   2HA   GLY  14          1HA       GLY  14  -9.307  -3.609  -0.724
  104    H    VAL  15           H        VAL  15  -8.121  -5.597  -0.141
  105    HA   VAL  15           HA       VAL  15  -7.842  -5.750   2.772
  106    HB   VAL  15           HB       VAL  15  -7.686  -8.284   1.171
  107   1HG1  VAL  15          1HG1      VAL  15  -7.768  -7.502   4.024
  108   2HG1  VAL  15          2HG1      VAL  15  -6.860  -8.783   3.224
  109   3HG1  VAL  15          3HG1      VAL  15  -8.572  -9.007   3.579
  110   1HG2  VAL  15          1HG2      VAL  15 -10.071  -8.669   2.149
  111   2HG2  VAL  15          2HG2      VAL  15  -9.876  -7.785   0.637
  112   3HG2  VAL  15          3HG2      VAL  15 -10.155  -6.908   2.140
  113    H    CYS  16           H        CYS  16  -5.771  -6.968   3.355
  114    HA   CYS  16           HA       CYS  16  -3.734  -6.620   1.274
  115   1HB   CYS  16          2HB       CYS  16  -3.995  -4.981   3.536
  116   2HB   CYS  16          1HB       CYS  16  -2.634  -6.040   3.876
  117    H    ARG  17           H        ARG  17  -2.836  -8.485   0.894
  118    HA   ARG  17           HA       ARG  17  -2.479 -10.386   3.119
  119   1HB   ARG  17          2HB       ARG  17  -2.537 -11.206   0.231
  120   2HB   ARG  17          1HB       ARG  17  -2.834 -12.185   1.660
  121   1HG   ARG  17          2HG       ARG  17  -4.814 -10.281   1.791
  122   2HG   ARG  17          1HG       ARG  17  -4.676 -10.605   0.062
  123   1HD   ARG  17          2HD       ARG  17  -5.856 -12.464   0.346
  124   2HD   ARG  17          1HD       ARG  17  -4.569 -13.102   1.368
  125    HE   ARG  17           HE       ARG  17  -5.969 -11.553   3.073
  126   1HH1  ARG  17          1HH1      ARG  17  -6.921 -14.066   0.843
  127   2HH1  ARG  17          2HH1      ARG  17  -8.269 -14.576   1.802
  128   1HH2  ARG  17          1HH2      ARG  17  -7.742 -12.225   4.332
  129   2HH2  ARG  17          2HH2      ARG  17  -8.736 -13.532   3.781
  130    H    ASP  18           H        ASP  18  -0.676 -12.057   2.489
  131    HA   ASP  18           HA       ASP  18   1.758 -10.685   2.496
  132   1HB   ASP  18          2HB       ASP  18   2.758 -12.976   2.155
  133   2HB   ASP  18          1HB       ASP  18   1.651 -12.845   3.520
  134    H    LYS  19           H        LYS  19   3.429 -10.661   0.973
  135    HA   LYS  19           HA       LYS  19   2.491 -10.334  -1.742
  136   1HB   LYS  19          2HB       LYS  19   4.743  -9.444  -2.185
  137   2HB   LYS  19          1HB       LYS  19   3.977  -8.650  -0.816
  138   1HG   LYS  19          2HG       LYS  19   5.988  -8.986   0.133
  139   2HG   LYS  19          1HG       LYS  19   5.316 -10.580   0.480
  140   1HD   LYS  19          2HD       LYS  19   7.385 -11.075  -0.452
  141   2HD   LYS  19          1HD       LYS  19   6.285 -11.237  -1.822
  142   1HE   LYS  19          2HE       LYS  19   6.930  -9.142  -2.708
  143   2HE   LYS  19          1HE       LYS  19   7.759  -8.685  -1.220
  144   1HZ   LYS  19          1HZ       LYS  19   9.274 -10.632  -1.687
  145   2HZ   LYS  19          2HZ       LYS  19   9.432  -9.301  -2.718
  146   3HZ   LYS  19          3HZ       LYS  19   8.600 -10.678  -3.239
  147    H    SER  20           H        SER  20   3.254 -13.010  -0.146
  148    HA   SER  20           HA       SER  20   4.637 -14.219  -2.449
  149   1HB   SER  20          2HB       SER  20   5.541 -14.124   0.171
  150   2HB   SER  20          1HB       SER  20   4.843 -15.738   0.035
  151    HG   SER  20           HG       SER  20   7.189 -15.097  -0.731
  152    H    GLU  21           H        GLU  21   1.682 -13.902  -1.552
  153    HA   GLU  21           HA       GLU  21   0.862 -16.645  -1.247
  154   1HB   GLU  21          2HB       GLU  21  -0.216 -14.257  -0.443
  155   2HB   GLU  21          1HB       GLU  21  -1.220 -14.665  -1.821
  156   1HG   GLU  21          2HG       GLU  21  -0.891 -16.993  -0.234
  157   2HG   GLU  21          1HG       GLU  21  -1.344 -15.659   0.823
  158    H    ARG  22           H        ARG  22  -0.560 -17.662  -2.656
  159    HA   ARG  22           HA       ARG  22  -0.155 -16.949  -5.461
  160   1HB   ARG  22          2HB       ARG  22  -0.205 -19.449  -3.943
  161   2HB   ARG  22          1HB       ARG  22  -1.127 -19.513  -5.432
  162   1HG   ARG  22          2HG       ARG  22   1.352 -18.249  -5.980
  163   2HG   ARG  22          1HG       ARG  22   1.668 -19.723  -5.067
  164   1HD   ARG  22          2HD       ARG  22   1.684 -20.259  -7.406
  165   2HD   ARG  22          1HD       ARG  22   0.239 -20.961  -6.680
  166    HE   ARG  22           HE       ARG  22  -1.049 -19.585  -7.983
  167   1HH1  ARG  22          1HH1      ARG  22   2.252 -18.457  -8.055
  168   2HH1  ARG  22          2HH1      ARG  22   1.960 -17.295  -9.305
  169   1HH2  ARG  22          1HH2      ARG  22  -1.435 -18.058  -9.628
  170   2HH2  ARG  22          2HH2      ARG  22  -0.134 -17.069 -10.198
  171    H    ASN  23           H        ASN  23  -2.528 -17.075  -3.046
  172    HA   ASN  23           HA       ASN  23  -4.681 -17.138  -5.053
  173   1HB   ASN  23          2HB       ASN  23  -4.815 -18.899  -3.319
  174   2HB   ASN  23          1HB       ASN  23  -4.876 -17.651  -2.078
  175   1HD2  ASN  23          1HD2      ASN  23  -6.872 -18.037  -1.294
  176   2HD2  ASN  23          2HD2      ASN  23  -8.326 -17.868  -2.212
  177    H    CYS  24           H        CYS  24  -3.989 -14.848  -5.429
  178    HA   CYS  24           HA       CYS  24  -5.677 -13.101  -3.836
  179   1HB   CYS  24          2HB       CYS  24  -3.118 -13.200  -3.054
  180   2HB   CYS  24          1HB       CYS  24  -2.955 -12.023  -4.352
  181    H    LYS  25           H        LYS  25  -6.395 -11.290  -4.932
  182    HA   LYS  25           HA       LYS  25  -5.702 -11.204  -7.793
  183   1HB   LYS  25          2HB       LYS  25  -8.256 -10.638  -6.314
  184   2HB   LYS  25          1HB       LYS  25  -7.975  -9.956  -7.910
  185   1HG   LYS  25          2HG       LYS  25  -8.959 -11.838  -8.617
  186   2HG   LYS  25          1HG       LYS  25  -7.362 -12.545  -8.370
  187   1HD   LYS  25          2HD       LYS  25  -8.835 -12.514  -5.897
  188   2HD   LYS  25          1HD       LYS  25  -9.780 -13.304  -7.161
  189   1HE   LYS  25          2HE       LYS  25  -8.270 -15.004  -7.418
  190   2HE   LYS  25          1HE       LYS  25  -6.905 -14.016  -6.899
  191   1HZ   LYS  25          1HZ       LYS  25  -8.029 -15.888  -5.382
  192   2HZ   LYS  25          2HZ       LYS  25  -8.921 -14.543  -4.878
  193   3HZ   LYS  25          3HZ       LYS  25  -7.235 -14.534  -4.750
  194    HA   PRO  26           HA       PRO  26  -3.623  -7.422  -6.161
  195   1HB   PRO  26          2HB       PRO  26  -2.948  -7.477  -9.072
  196   2HB   PRO  26          1HB       PRO  26  -1.916  -7.105  -7.686
  197   1HG   PRO  26          2HG       PRO  26  -1.768  -9.474  -8.889
  198   2HG   PRO  26          1HG       PRO  26  -1.636  -9.337  -7.127
  199   1HD   PRO  26          2HD       PRO  26  -3.894 -10.334  -8.786
  200   2HD   PRO  26          1HD       PRO  26  -3.392 -10.811  -7.152
  201    H    MET  27           H        MET  27  -4.570  -5.496  -6.038
  202    HA   MET  27           HA       MET  27  -6.352  -4.654  -8.230
  203   1HB   MET  27          2HB       MET  27  -6.795  -4.846  -5.361
  204   2HB   MET  27          1HB       MET  27  -7.124  -3.227  -5.964
  205   1HG   MET  27          2HG       MET  27  -8.278  -5.690  -7.231
  206   2HG   MET  27          1HG       MET  27  -9.066  -4.841  -5.903
  207   1HE   MET  27          1HE       MET  27 -11.081  -2.816  -6.784
  208   2HE   MET  27          2HE       MET  27  -9.987  -1.488  -7.169
  209   3HE   MET  27          3HE       MET  27  -9.624  -2.568  -5.822
  210    H    ALA  28           H        ALA  28  -5.183  -3.228  -9.375
  211    HA   ALA  28           HA       ALA  28  -3.190  -1.537  -8.296
  212   1HB   ALA  28          1HB       ALA  28  -3.755  -2.341 -10.779
  213   2HB   ALA  28          2HB       ALA  28  -2.789  -0.906 -10.436
  214   3HB   ALA  28          3HB       ALA  28  -4.502  -0.744 -10.827
  215    H    TRP  29           H        TRP  29  -3.623   0.955  -9.356
  216    HA   TRP  29           HA       TRP  29  -4.364   2.982  -8.638
  217   1HB   TRP  29          2HB       TRP  29  -7.170   2.004  -8.768
  218   2HB   TRP  29          1HB       TRP  29  -6.452   3.461  -9.441
  219    HD1  TRP  29           HD       TRP  29  -7.897   0.345 -10.561
  220    HE1  TRP  29           1HE      TRP  29  -7.142  -0.254 -12.947
  221    HE3  TRP  29           3HE      TRP  29  -3.952   3.567 -10.999
  222    HZ2  TRP  29           2HZ      TRP  29  -5.138   0.534 -14.774
  223    HZ3  TRP  29           3HZ      TRP  29  -2.668   3.581 -13.097
  224    HH2  TRP  29           HH       TRP  29  -3.250   2.094 -14.945
  225    H    THR  30           H        THR  30  -3.592   1.610  -6.453
  226    HA   THR  30           HA       THR  30  -4.949   2.876  -4.364
  227    HB   THR  30           HB       THR  30  -6.744   1.286  -4.769
  228    HG1  THR  30           1HG      THR  30  -6.007   1.813  -2.554
  229   1HG2  THR  30          1HG2      THR  30  -5.731  -1.160  -3.897
  230   2HG2  THR  30          2HG2      THR  30  -4.611  -0.594  -5.136
  231   3HG2  THR  30          3HG2      THR  30  -6.328  -0.753  -5.506
  232    H    TYR  31           H        TYR  31  -3.942   2.580  -2.347
  233    HA   TYR  31           HA       TYR  31  -1.556   0.857  -2.370
  234   1HB   TYR  31          2HB       TYR  31  -0.396   2.659  -1.055
  235   2HB   TYR  31          1HB       TYR  31  -0.745   3.084  -2.727
  236    HD1  TYR  31           1HD      TYR  31  -1.661   5.162  -3.145
  237    HD2  TYR  31           2HD      TYR  31  -2.295   3.374   0.664
  238    HE1  TYR  31           1HE      TYR  31  -2.819   7.195  -2.390
  239    HE2  TYR  31           2HE      TYR  31  -3.456   5.401   1.429
  240    HH   TYR  31           HH       TYR  31  -4.651   7.312   0.471
  241    H    CYS  32           H        CYS  32  -0.850   0.101  -0.316
  242    HA   CYS  32           HA       CYS  32  -3.034  -0.061   1.633
  243   1HB   CYS  32          2HB       CYS  32  -1.512  -2.038   0.532
  244   2HB   CYS  32          1HB       CYS  32  -0.648  -1.745   2.037
  245    H    GLU  33           H        GLU  33  -1.744  -0.727   3.917
  246    HA   GLU  33           HA       GLU  33  -0.389   1.781   4.599
  247   1HB   GLU  33          2HB       GLU  33  -0.963   1.273   6.911
  248   2HB   GLU  33          1HB       GLU  33  -2.396   1.201   5.895
  249   1HG   GLU  33          2HG       GLU  33  -2.091  -1.284   5.804
  250   2HG   GLU  33          1HG       GLU  33  -0.832  -1.102   7.025
  251    H    ASN  34           H        ASN  34   0.054  -1.676   4.514
  252    HA   ASN  34           HA       ASN  34   2.584  -1.527   5.943
  253   1HB   ASN  34          2HB       ASN  34   0.769  -3.452   5.993
  254   2HB   ASN  34          1HB       ASN  34   1.654  -4.018   4.580
  255   1HD2  ASN  34          1HD2      ASN  34   2.339  -2.749   7.824
  256   2HD2  ASN  34          2HD2      ASN  34   3.573  -3.899   8.197
  257    H    ARG  35           H        ARG  35   4.581  -1.766   5.042
  258    HA   ARG  35           HA       ARG  35   4.740  -1.372   2.165
  259   1HB   ARG  35          2HB       ARG  35   6.273  -0.544   4.420
  260   2HB   ARG  35          1HB       ARG  35   7.325  -1.472   3.361
  261   1HG   ARG  35          2HG       ARG  35   6.138   0.094   1.540
  262   2HG   ARG  35          1HG       ARG  35   6.053   1.155   2.948
  263   1HD   ARG  35          2HD       ARG  35   8.095   1.722   2.020
  264   2HD   ARG  35          1HD       ARG  35   8.551   0.545   3.252
  265    HE   ARG  35           HE       ARG  35   8.235  -0.976   1.041
  266   1HH1  ARG  35          1HH1      ARG  35  10.057   1.929   1.689
  267   2HH1  ARG  35          2HH1      ARG  35  11.295   1.559   0.537
  268   1HH2  ARG  35          1HH2      ARG  35   9.864  -1.465  -0.473
  269   2HH2  ARG  35          2HH2      ARG  35  11.186  -0.368  -0.691
  270    H    ASN  36           H        ASN  36   4.206  -4.052   3.641
  271    HA   ASN  36           HA       ASN  36   6.053  -5.591   1.975
  272   1HB   ASN  36          2HB       ASN  36   6.701  -5.399   4.522
  273   2HB   ASN  36          1HB       ASN  36   5.433  -6.606   4.720
  274   1HD2  ASN  36          1HD2      ASN  36   7.948  -6.054   2.283
  275   2HD2  ASN  36          2HD2      ASN  36   8.624  -7.638   2.376
  276    H    GLN  37           H        GLN  37   3.078  -4.809   2.206
  277    HA   GLN  37           HA       GLN  37   2.047  -7.510   1.733
  278   1HB   GLN  37          2HB       GLN  37   1.380  -5.863   3.900
  279   2HB   GLN  37          1HB       GLN  37   0.028  -5.734   2.793
  280   1HG   GLN  37          2HG       GLN  37  -0.593  -7.893   3.079
  281   2HG   GLN  37          1HG       GLN  37   1.064  -8.441   3.327
  282   1HE2  GLN  37          1HE2      GLN  37  -1.125  -9.247   4.889
  283   2HE2  GLN  37          2HE2      GLN  37  -0.886  -8.666   6.498
  284    H    LYS  38           H        LYS  38   0.334  -7.641   0.206
  285    HA   LYS  38           HA       LYS  38   0.260  -5.348  -1.625
  286   1HB   LYS  38          2HB       LYS  38  -0.972  -7.853  -2.539
  287   2HB   LYS  38          1HB       LYS  38   0.163  -6.793  -3.356
  288   1HG   LYS  38          2HG       LYS  38   1.832  -7.853  -1.582
  289   2HG   LYS  38          1HG       LYS  38   0.661  -9.171  -1.668
  290   1HD   LYS  38          2HD       LYS  38   1.503  -8.041  -4.257
  291   2HD   LYS  38          1HD       LYS  38   2.756  -8.894  -3.354
  292   1HE   LYS  38          2HE       LYS  38   1.625 -10.909  -3.433
  293   2HE   LYS  38          1HE       LYS  38   0.060 -10.138  -3.684
  294   1HZ   LYS  38          1HZ       LYS  38   2.178 -10.719  -5.633
  295   2HZ   LYS  38          2HZ       LYS  38   1.156  -9.400  -5.908
  296   3HZ   LYS  38          3HZ       LYS  38   0.507 -10.955  -5.759
  297    H    CYS  39           H        CYS  39  -1.701  -4.601  -2.492
  298    HA   CYS  39           HA       CYS  39  -3.995  -5.033  -0.735
  299   1HB   CYS  39          2HB       CYS  39  -3.252  -2.711  -1.080
  300   2HB   CYS  39          1HB       CYS  39  -3.514  -2.885  -2.812
  301    H    CYS  40           H        CYS  40  -5.223  -6.654  -1.386
  302    HA   CYS  40           HA       CYS  40  -5.684  -7.089  -4.238
  303   1HB   CYS  40          2HB       CYS  40  -5.729  -8.772  -1.802
  304   2HB   CYS  40          1HB       CYS  40  -6.907  -9.168  -3.042
  305    H    GLU  41           H        GLU  41  -7.941  -7.839  -4.810
  306    HA   GLU  41           HA       GLU  41  -9.788  -5.805  -4.312
  307   1HB   GLU  41          2HB       GLU  41  -9.868  -7.264  -6.290
  308   2HB   GLU  41          1HB       GLU  41 -10.324  -8.622  -5.271
  309   1HG   GLU  41          2HG       GLU  41 -12.380  -7.416  -4.640
  310   2HG   GLU  41          1HG       GLU  41 -11.931  -6.123  -5.751
  311    H    TYR  42           H        TYR  42 -10.267  -9.209  -3.366
  312    HA   TYR  42           HA       TYR  42 -11.488  -8.244  -0.864
  313   1HB   TYR  42          2HB       TYR  42 -12.906 -10.393  -1.063
  314   2HB   TYR  42          1HB       TYR  42 -13.335  -9.020  -2.076
  315    HD1  TYR  42           1HD      TYR  42 -13.934  -9.554  -4.230
  316    HD2  TYR  42           2HD      TYR  42 -11.007 -11.947  -2.278
  317    HE1  TYR  42           1HE      TYR  42 -13.771 -10.978  -6.228
  318    HE2  TYR  42           2HE      TYR  42 -10.836 -13.375  -4.271
  319    HH   TYR  42           HH       TYR  42 -12.245 -12.515  -7.276
  Start of MODEL    5
    1   1H    ILE   1          1HT       ILE   1   6.207   9.929 -10.973
    2   2H    ILE   1          2HT       ILE   1   6.847  11.224 -10.047
    3   3H    ILE   1          3HT       ILE   1   7.902  10.068 -10.754
    4    HA   ILE   1           HA       ILE   1   6.460  12.284 -11.949
    5    HB   ILE   1           HB       ILE   1   9.145  11.054 -12.579
    6   1HG1  ILE   1          2HG1      ILE   1   8.881  13.611 -11.067
    7   2HG1  ILE   1          1HG1      ILE   1   8.629  12.108 -10.188
    8   1HG2  ILE   1          1HG2      ILE   1   9.606  13.074 -13.760
    9   2HG2  ILE   1          2HG2      ILE   1   8.114  13.818 -13.186
   10   3HG2  ILE   1          3HG2      ILE   1   8.047  12.472 -14.323
   11   1HD1  ILE   1          1HD1      ILE   1  10.810  11.443 -10.430
   12   2HD1  ILE   1          2HD1      ILE   1  10.986  13.194 -10.293
   13   3HD1  ILE   1          3HD1      ILE   1  11.060  12.420 -11.877
   14    H    MED   2           H        DME   2   5.127  11.940 -13.586
   15    HA   MED   2           HA       DME   2   5.676   9.690 -15.406
   16   1HB   MED   2          1HB       DME   2   4.543  10.969 -17.146
   17   2HB   MED   2          2HB       DME   2   5.868  11.901 -16.462
   18   1HG   MED   2          1HG       DME   2   3.701  12.635 -14.922
   19   2HG   MED   2          2HG       DME   2   3.027  12.478 -16.542
   20   1HE   MED   2          1HE       DME   2   5.369  14.666 -14.202
   21   2HE   MED   2          2HE       DME   2   3.630  14.916 -14.363
   22   3HE   MED   2          3HE       DME   2   4.757  16.127 -14.976
   23    H    PHE   3           H        PHE   3   4.400   8.033 -14.871
   24    HA   PHE   3           HA       PHE   3   1.546   8.593 -14.387
   25   1HB   PHE   3          2HB       PHE   3   2.549   7.177 -16.478
   26   2HB   PHE   3          1HB       PHE   3   2.298   5.888 -15.307
   27    HD1  PHE   3           1HD      PHE   3   0.809   7.791 -17.847
   28    HD2  PHE   3           2HD      PHE   3  -0.049   5.902 -14.132
   29    HE1  PHE   3           1HE      PHE   3  -1.580   7.736 -18.431
   30    HE2  PHE   3           2HE      PHE   3  -2.440   5.842 -14.709
   31    HZ   PHE   3           HZ       PHE   3  -3.209   6.760 -16.861
   32    H    PHE   4           H        PHE   4   1.881   8.740 -12.125
   33    HA   PHE   4           HA       PHE   4   1.901   6.144 -10.820
   34   1HB   PHE   4          2HB       PHE   4   3.943   8.289 -10.251
   35   2HB   PHE   4          1HB       PHE   4   3.542   7.038  -9.079
   36    HD1  PHE   4           1HD      PHE   4   5.762   7.925 -11.590
   37    HD2  PHE   4           2HD      PHE   4   3.580   4.577 -10.128
   38    HE1  PHE   4           1HE      PHE   4   7.374   6.410 -12.667
   39    HE2  PHE   4           2HE      PHE   4   5.188   3.055 -11.202
   40    HZ   PHE   4           HZ       PHE   4   7.087   3.971 -12.473
   41    H    GLU   5           H        GLU   5  -0.073   6.296  -9.939
   42    HA   GLU   5           HA       GLU   5  -0.494   8.127  -7.777
   43   1HB   GLU   5          2HB       GLU   5  -1.317   8.993 -10.315
   44   2HB   GLU   5          1HB       GLU   5  -2.786   8.453  -9.514
   45   1HG   GLU   5          2HG       GLU   5  -2.660  10.061  -7.888
   46   2HG   GLU   5          1HG       GLU   5  -0.911  10.229  -8.038
   47    H    MET   6           H        MET   6  -1.035   6.543  -6.390
   48    HA   MET   6           HA       MET   6  -3.114   4.628  -7.195
   49   1HB   MET   6          2HB       MET   6  -1.254   4.459  -4.821
   50   2HB   MET   6          1HB       MET   6  -2.321   3.196  -5.419
   51   1HG   MET   6          2HG       MET   6  -0.894   2.569  -7.028
   52   2HG   MET   6          1HG       MET   6  -0.403   4.223  -7.384
   53   1HE   MET   6          1HE       MET   6   1.828   2.661  -7.832
   54   2HE   MET   6          2HE       MET   6   3.114   2.987  -6.670
   55   3HE   MET   6          3HE       MET   6   2.222   4.323  -7.395
   56    H    GLN   7           H        GLN   7  -4.358   3.833  -5.094
   57    HA   GLN   7           HA       GLN   7  -5.282   6.235  -3.661
   58   1HB   GLN   7          2HB       GLN   7  -7.019   3.919  -4.527
   59   2HB   GLN   7          1HB       GLN   7  -7.551   5.414  -3.770
   60   1HG   GLN   7          2HG       GLN   7  -6.526   6.565  -5.831
   61   2HG   GLN   7          1HG       GLN   7  -6.572   4.960  -6.558
   62   1HE2  GLN   7          1HE2      GLN   7  -8.417   7.668  -5.470
   63   2HE2  GLN   7          2HE2      GLN   7  -9.942   7.154  -6.098
   64    H    ALA   8           H        ALA   8  -7.037   5.085  -1.909
   65    HA   ALA   8           HA       ALA   8  -5.209   3.662  -0.139
   66   1HB   ALA   8          1HB       ALA   8  -6.449   4.442   1.626
   67   2HB   ALA   8          2HB       ALA   8  -7.949   4.471   0.702
   68   3HB   ALA   8          3HB       ALA   8  -6.733   5.720   0.444
   69    H    CYS   9           H        CYS   9  -5.645   1.676   0.793
   70    HA   CYS   9           HA       CYS   9  -7.183  -0.134  -0.794
   71   1HB   CYS   9          2HB       CYS   9  -5.016  -0.601   0.519
   72   2HB   CYS   9          1HB       CYS   9  -6.059  -0.765   1.924
   73    H    TRP  10           H        TRP  10  -7.733   1.652   2.125
   74    HA   TRP  10           HA       TRP  10 -10.089   0.088   2.817
   75   1HB   TRP  10          2HB       TRP  10 -10.063   2.359   4.446
   76   2HB   TRP  10          1HB       TRP  10  -9.508   0.758   4.882
   77    HD1  TRP  10           HD       TRP  10  -6.741   0.336   4.308
   78    HE1  TRP  10           1HE      TRP  10  -4.816   2.014   4.671
   79    HE3  TRP  10           3HE      TRP  10  -9.469   4.605   4.522
   80    HZ2  TRP  10           2HZ      TRP  10  -4.514   4.815   5.006
   81    HZ3  TRP  10           3HZ      TRP  10  -8.314   6.761   4.864
   82    HH2  TRP  10           HH       TRP  10  -5.882   6.858   5.104
   83    H    SER  11           H        SER  11  -9.242   3.119   1.322
   84    HA   SER  11           HA       SER  11 -11.642   4.502   1.491
   85   1HB   SER  11          2HB       SER  11  -9.698   5.602   0.612
   86   2HB   SER  11          1HB       SER  11  -9.573   4.445  -0.713
   87    HG   SER  11           HG       SER  11 -10.599   6.591  -1.127
   88    H    HIS  12           H        HIS  12 -10.740   1.819  -0.563
   89    HA   HIS  12           HA       HIS  12 -13.379   1.950  -1.861
   90   1HB   HIS  12          2HB       HIS  12 -12.408   0.567  -3.647
   91   2HB   HIS  12          1HB       HIS  12 -11.514   2.069  -3.435
   92    HD1  HIS  12           1HD      HIS  12 -11.239  -1.496  -2.108
   93    HD2  HIS  12           2HD      HIS  12  -8.853   1.636  -3.436
   94    HE1  HIS  12           1HE      HIS  12  -8.880  -2.363  -2.020
   95    HE2  HIS  12           2HE      HIS  12  -7.448  -0.423  -2.749
   96    H    SER  13           H        SER  13 -12.278   0.627   0.764
   97    HA   SER  13           HA       SER  13 -12.664  -1.259   1.978
   98   1HB   SER  13          2HB       SER  13 -15.028  -0.526   0.905
   99   2HB   SER  13          1HB       SER  13 -14.885  -2.147   0.226
  100    HG   SER  13           HG       SER  13 -15.248  -2.959   2.129
  101    H    GLY  14           H        GLY  14 -10.690  -2.238   1.261
  102   1HA   GLY  14          2HA       GLY  14 -11.171  -4.556  -0.507
  103   2HA   GLY  14          1HA       GLY  14  -9.701  -3.600  -0.626
  104    H    VAL  15           H        VAL  15  -8.412  -5.430  -0.200
  105    HA   VAL  15           HA       VAL  15  -8.265  -6.089   2.652
  106    HB   VAL  15           HB       VAL  15  -7.985  -8.231   0.548
  107   1HG1  VAL  15          1HG1      VAL  15  -7.986  -8.150   3.533
  108   2HG1  VAL  15          2HG1      VAL  15  -6.893  -8.989   2.431
  109   3HG1  VAL  15          3HG1      VAL  15  -8.523  -9.608   2.697
  110   1HG2  VAL  15          1HG2      VAL  15 -10.266  -8.929   1.742
  111   2HG2  VAL  15          2HG2      VAL  15 -10.221  -7.933   0.288
  112   3HG2  VAL  15          3HG2      VAL  15 -10.417  -7.177   1.870
  113    H    CYS  16           H        CYS  16  -6.164  -7.104   3.229
  114    HA   CYS  16           HA       CYS  16  -4.027  -6.439   1.329
  115   1HB   CYS  16          2HB       CYS  16  -4.162  -5.665   4.244
  116   2HB   CYS  16          1HB       CYS  16  -2.678  -5.616   3.299
  117    H    ARG  17           H        ARG  17  -3.019  -8.265   0.866
  118    HA   ARG  17           HA       ARG  17  -2.578 -10.212   3.036
  119   1HB   ARG  17          2HB       ARG  17  -2.752 -10.858   0.095
  120   2HB   ARG  17          1HB       ARG  17  -2.718 -11.992   1.439
  121   1HG   ARG  17          2HG       ARG  17  -4.906 -10.207   1.806
  122   2HG   ARG  17          1HG       ARG  17  -4.959 -10.848   0.164
  123   1HD   ARG  17          2HD       ARG  17  -4.833 -13.120   1.031
  124   2HD   ARG  17          1HD       ARG  17  -4.725 -12.499   2.677
  125    HE   ARG  17           HE       ARG  17  -7.066 -11.582   1.327
  126   1HH1  ARG  17          1HH1      ARG  17  -5.699 -14.292   3.050
  127   2HH1  ARG  17          2HH1      ARG  17  -7.236 -14.903   3.562
  128   1HH2  ARG  17          1HH2      ARG  17  -9.089 -12.384   2.001
  129   2HH2  ARG  17          2HH2      ARG  17  -9.161 -13.820   2.965
  130    H    ASP  18           H        ASP  18  -0.696 -11.746   2.447
  131    HA   ASP  18           HA       ASP  18   1.655 -10.183   2.298
  132   1HB   ASP  18          2HB       ASP  18   0.956 -12.918   2.906
  133   2HB   ASP  18          1HB       ASP  18   2.367 -12.869   1.854
  134    H    LYS  19           H        LYS  19   3.027  -9.805   0.673
  135    HA   LYS  19           HA       LYS  19   2.133 -10.005  -1.992
  136   1HB   LYS  19          2HB       LYS  19   4.331  -9.119  -2.601
  137   2HB   LYS  19          1HB       LYS  19   3.643  -8.236  -1.246
  138   1HG   LYS  19          2HG       LYS  19   5.071  -9.424   0.301
  139   2HG   LYS  19          1HG       LYS  19   5.712 -10.412  -1.013
  140   1HD   LYS  19          2HD       LYS  19   5.909  -7.513  -1.441
  141   2HD   LYS  19          1HD       LYS  19   6.863  -8.127  -0.090
  142   1HE   LYS  19          2HE       LYS  19   7.186  -9.903  -2.286
  143   2HE   LYS  19          1HE       LYS  19   7.430  -8.258  -2.872
  144   1HZ   LYS  19          1HZ       LYS  19   8.748  -9.134  -0.390
  145   2HZ   LYS  19          2HZ       LYS  19   9.220  -7.935  -1.486
  146   3HZ   LYS  19          3HZ       LYS  19   9.408  -9.568  -1.888
  147    H    SER  20           H        SER  20   3.675 -12.293  -0.003
  148    HA   SER  20           HA       SER  20   4.866 -13.729  -2.242
  149   1HB   SER  20          2HB       SER  20   5.559 -13.470   0.444
  150   2HB   SER  20          1HB       SER  20   4.950 -15.119   0.312
  151    HG   SER  20           HG       SER  20   6.398 -15.225  -1.607
  152    H    GLU  21           H        GLU  21   1.838 -13.445  -1.551
  153    HA   GLU  21           HA       GLU  21   1.120 -16.228  -1.222
  154   1HB   GLU  21          2HB       GLU  21  -0.087 -13.859  -0.470
  155   2HB   GLU  21          1HB       GLU  21  -1.063 -14.394  -1.826
  156   1HG   GLU  21          2HG       GLU  21  -0.564 -16.629  -0.152
  157   2HG   GLU  21          1HG       GLU  21  -1.108 -15.291   0.857
  158    H    ARG  22           H        ARG  22  -0.252 -17.282  -2.667
  159    HA   ARG  22           HA       ARG  22   0.156 -16.507  -5.457
  160   1HB   ARG  22          2HB       ARG  22   0.272 -19.033  -3.978
  161   2HB   ARG  22          1HB       ARG  22  -0.600 -19.133  -5.494
  162   1HG   ARG  22          2HG       ARG  22   1.780 -17.673  -5.953
  163   2HG   ARG  22          1HG       ARG  22   2.195 -19.125  -5.044
  164   1HD   ARG  22          2HD       ARG  22   2.271 -19.424  -7.511
  165   2HD   ARG  22          1HD       ARG  22   1.169 -20.527  -6.694
  166    HE   ARG  22           HE       ARG  22   0.426 -18.256  -8.390
  167   1HH1  ARG  22          1HH1      ARG  22  -0.548 -21.037  -6.504
  168   2HH1  ARG  22          2HH1      ARG  22  -2.136 -21.094  -7.188
  169   1HH2  ARG  22          1HH2      ARG  22  -1.662 -18.336  -9.280
  170   2HH2  ARG  22          2HH2      ARG  22  -2.769 -19.564  -8.760
  171    H    ASN  23           H        ASN  23  -2.216 -16.835  -3.066
  172    HA   ASN  23           HA       ASN  23  -4.339 -17.009  -5.104
  173   1HB   ASN  23          2HB       ASN  23  -4.066 -18.721  -3.073
  174   2HB   ASN  23          1HB       ASN  23  -4.966 -17.464  -2.228
  175   1HD2  ASN  23          1HD2      ASN  23  -7.044 -17.858  -2.176
  176   2HD2  ASN  23          2HD2      ASN  23  -7.978 -18.606  -3.422
  177    H    CYS  24           H        CYS  24  -3.819 -14.656  -5.354
  178    HA   CYS  24           HA       CYS  24  -5.632 -13.127  -3.662
  179   1HB   CYS  24          2HB       CYS  24  -3.096 -13.035  -2.900
  180   2HB   CYS  24          1HB       CYS  24  -2.982 -11.867  -4.212
  181    H    LYS  25           H        LYS  25  -6.525 -11.336  -4.655
  182    HA   LYS  25           HA       LYS  25  -6.134 -11.209  -7.553
  183   1HB   LYS  25          2HB       LYS  25  -8.425 -11.331  -6.110
  184   2HB   LYS  25          1HB       LYS  25  -8.261  -9.590  -6.289
  185   1HG   LYS  25          2HG       LYS  25  -8.305 -11.590  -8.539
  186   2HG   LYS  25          1HG       LYS  25  -9.643 -10.549  -8.049
  187   1HD   LYS  25          2HD       LYS  25  -8.260  -8.574  -8.557
  188   2HD   LYS  25          1HD       LYS  25  -6.964  -9.640  -9.100
  189   1HE   LYS  25          2HE       LYS  25  -8.598 -10.596 -10.761
  190   2HE   LYS  25          1HE       LYS  25  -9.699  -9.293 -10.313
  191   1HZ   LYS  25          1HZ       LYS  25  -8.411  -7.731 -11.323
  192   2HZ   LYS  25          2HZ       LYS  25  -8.044  -9.052 -12.314
  193   3HZ   LYS  25          3HZ       LYS  25  -6.967  -8.585 -11.097
  194    HA   PRO  26           HA       PRO  26  -3.528  -7.628  -6.280
  195   1HB   PRO  26          2HB       PRO  26  -2.594  -7.344  -8.894
  196   2HB   PRO  26          1HB       PRO  26  -1.796  -8.245  -7.604
  197   1HG   PRO  26          2HG       PRO  26  -3.548  -9.235  -9.807
  198   2HG   PRO  26          1HG       PRO  26  -2.105  -9.981  -9.096
  199   1HD   PRO  26          2HD       PRO  26  -4.555 -10.861  -8.496
  200   2HD   PRO  26          1HD       PRO  26  -3.279 -10.792  -7.262
  201    H    MET  27           H        MET  27  -4.627  -5.804  -6.036
  202    HA   MET  27           HA       MET  27  -6.226  -4.791  -8.288
  203   1HB   MET  27          2HB       MET  27  -7.154  -5.254  -5.848
  204   2HB   MET  27          1HB       MET  27  -6.477  -3.661  -5.537
  205   1HG   MET  27          2HG       MET  27  -7.868  -2.668  -7.201
  206   2HG   MET  27          1HG       MET  27  -8.425  -4.248  -7.750
  207   1HE   MET  27          1HE       MET  27 -10.998  -1.806  -6.091
  208   2HE   MET  27          2HE       MET  27  -9.369  -1.405  -6.636
  209   3HE   MET  27          3HE       MET  27  -9.756  -1.374  -4.916
  210    H    ALA  28           H        ALA  28  -5.300  -3.218  -9.417
  211    HA   ALA  28           HA       ALA  28  -3.004  -1.810  -8.479
  212   1HB   ALA  28          1HB       ALA  28  -4.561  -1.954 -10.977
  213   2HB   ALA  28          2HB       ALA  28  -2.816  -1.959 -10.721
  214   3HB   ALA  28          3HB       ALA  28  -3.706  -0.438 -10.688
  215    H    TRP  29           H        TRP  29  -3.145   0.722  -9.172
  216    HA   TRP  29           HA       TRP  29  -3.616   2.744  -8.233
  217   1HB   TRP  29          2HB       TRP  29  -6.524   2.177  -8.592
  218   2HB   TRP  29          1HB       TRP  29  -5.593   3.609  -9.011
  219    HD1  TRP  29           HD       TRP  29  -7.190   0.700 -10.578
  220    HE1  TRP  29           1HE      TRP  29  -6.405   0.426 -13.014
  221    HE3  TRP  29           3HE      TRP  29  -3.191   3.882 -10.503
  222    HZ2  TRP  29           2HZ      TRP  29  -4.358   1.428 -14.682
  223    HZ3  TRP  29           3HZ      TRP  29  -1.871   4.168 -12.559
  224    HH2  TRP  29           HH       TRP  29  -2.444   2.965 -14.606
  225    H    THR  30           H        THR  30  -3.193   0.977  -6.204
  226    HA   THR  30           HA       THR  30  -4.405   2.226  -4.022
  227    HB   THR  30           HB       THR  30  -6.435   1.068  -4.667
  228    HG1  THR  30           1HG      THR  30  -5.762   1.204  -2.396
  229   1HG2  THR  30          1HG2      THR  30  -5.945  -1.610  -4.073
  230   2HG2  THR  30          2HG2      THR  30  -4.678  -1.131  -5.202
  231   3HG2  THR  30          3HG2      THR  30  -6.374  -0.916  -5.635
  232    H    TYR  31           H        TYR  31  -3.433   1.696  -2.111
  233    HA   TYR  31           HA       TYR  31  -1.689  -0.654  -2.038
  234   1HB   TYR  31          2HB       TYR  31   0.193   0.672  -1.186
  235   2HB   TYR  31          1HB       TYR  31  -0.271   1.194  -2.802
  236    HD1  TYR  31           1HD      TYR  31  -1.794   3.259  -2.976
  237    HD2  TYR  31           2HD      TYR  31   0.336   2.218   0.557
  238    HE1  TYR  31           1HE      TYR  31  -2.016   5.571  -2.168
  239    HE2  TYR  31           2HE      TYR  31   0.119   4.526   1.375
  240    HH   TYR  31           HH       TYR  31  -0.275   6.743   0.552
  241    H    CYS  32           H        CYS  32  -0.726  -0.915   0.224
  242    HA   CYS  32           HA       CYS  32  -2.843  -0.334   2.179
  243   1HB   CYS  32          2HB       CYS  32  -1.853  -2.742   1.543
  244   2HB   CYS  32          1HB       CYS  32  -0.703  -2.303   2.798
  245    H    GLU  33           H        GLU  33  -1.747  -0.496   4.539
  246    HA   GLU  33           HA       GLU  33  -0.133   1.865   4.731
  247   1HB   GLU  33          2HB       GLU  33  -0.248   1.442   7.176
  248   2HB   GLU  33          1HB       GLU  33  -1.827   1.474   6.403
  249   1HG   GLU  33          2HG       GLU  33  -2.233  -0.441   7.442
  250   2HG   GLU  33          1HG       GLU  33  -1.120  -1.186   6.296
  251    H    ASN  34           H        ASN  34   0.435  -1.563   4.783
  252    HA   ASN  34           HA       ASN  34   3.132  -1.255   5.826
  253   1HB   ASN  34          2HB       ASN  34   1.321  -3.277   6.052
  254   2HB   ASN  34          1HB       ASN  34   2.319  -3.872   4.728
  255   1HD2  ASN  34          1HD2      ASN  34   4.733  -3.635   5.158
  256   2HD2  ASN  34          2HD2      ASN  34   5.271  -4.107   6.730
  257    H    ARG  35           H        ARG  35   5.010  -1.704   4.663
  258    HA   ARG  35           HA       ARG  35   4.767  -1.260   1.800
  259   1HB   ARG  35          2HB       ARG  35   6.679  -0.605   3.824
  260   2HB   ARG  35          1HB       ARG  35   7.485  -1.531   2.567
  261   1HG   ARG  35          2HG       ARG  35   5.708   0.602   1.604
  262   2HG   ARG  35          1HG       ARG  35   7.127   1.143   2.503
  263   1HD   ARG  35          2HD       ARG  35   8.191   0.980   0.539
  264   2HD   ARG  35          1HD       ARG  35   8.194  -0.755   0.858
  265    HE   ARG  35           HE       ARG  35   5.836  -0.400  -0.385
  266   1HH1  ARG  35          1HH1      ARG  35   9.079   0.614  -1.184
  267   2HH1  ARG  35          2HH1      ARG  35   8.805   0.570  -2.893
  268   1HH2  ARG  35          1HH2      ARG  35   5.475  -0.459  -2.632
  269   2HH2  ARG  35          2HH2      ARG  35   6.760  -0.039  -3.716
  270    H    ASN  36           H        ASN  36   4.232  -3.922   3.245
  271    HA   ASN  36           HA       ASN  36   5.760  -5.544   1.354
  272   1HB   ASN  36          2HB       ASN  36   6.682  -5.473   3.826
  273   2HB   ASN  36          1HB       ASN  36   5.362  -6.599   4.121
  274   1HD2  ASN  36          1HD2      ASN  36   7.681  -6.116   1.483
  275   2HD2  ASN  36          2HD2      ASN  36   8.241  -7.748   1.450
  276    H    GLN  37           H        GLN  37   2.900  -4.540   1.920
  277    HA   GLN  37           HA       GLN  37   1.602  -7.158   1.606
  278   1HB   GLN  37          2HB       GLN  37   1.251  -5.367   3.721
  279   2HB   GLN  37          1HB       GLN  37  -0.152  -5.122   2.694
  280   1HG   GLN  37          2HG       GLN  37  -0.751  -7.430   2.851
  281   2HG   GLN  37          1HG       GLN  37   0.758  -7.808   3.680
  282   1HE2  GLN  37          1HE2      GLN  37  -1.319  -8.684   4.949
  283   2HE2  GLN  37          2HE2      GLN  37  -1.760  -7.691   6.291
  284    H    LYS  38           H        LYS  38   0.004  -7.300   0.056
  285    HA   LYS  38           HA       LYS  38  -0.190  -4.990  -1.748
  286   1HB   LYS  38          2HB       LYS  38  -1.322  -7.494  -2.742
  287   2HB   LYS  38          1HB       LYS  38  -0.168  -6.407  -3.495
  288   1HG   LYS  38          2HG       LYS  38   1.412  -7.554  -1.642
  289   2HG   LYS  38          1HG       LYS  38   0.274  -8.867  -1.944
  290   1HD   LYS  38          2HD       LYS  38   1.219  -7.548  -4.377
  291   2HD   LYS  38          1HD       LYS  38   2.505  -8.312  -3.442
  292   1HE   LYS  38          2HE       LYS  38   1.915 -10.220  -4.430
  293   2HE   LYS  38          1HE       LYS  38   0.476 -10.189  -3.413
  294   1HZ   LYS  38          1HZ       LYS  38  -0.574  -8.832  -5.233
  295   2HZ   LYS  38          2HZ       LYS  38  -0.272 -10.452  -5.611
  296   3HZ   LYS  38          3HZ       LYS  38   0.749  -9.241  -6.206
  297    H    CYS  39           H        CYS  39  -2.187  -4.298  -2.546
  298    HA   CYS  39           HA       CYS  39  -4.429  -4.889  -0.782
  299   1HB   CYS  39          2HB       CYS  39  -3.820  -2.524  -1.173
  300   2HB   CYS  39          1HB       CYS  39  -4.146  -2.735  -2.889
  301    H    CYS  40           H        CYS  40  -5.549  -6.592  -1.404
  302    HA   CYS  40           HA       CYS  40  -6.000  -7.094  -4.244
  303   1HB   CYS  40          2HB       CYS  40  -5.987  -8.737  -1.767
  304   2HB   CYS  40          1HB       CYS  40  -7.052  -9.242  -3.065
  305    H    GLU  41           H        GLU  41  -8.173  -7.901  -4.866
  306    HA   GLU  41           HA       GLU  41 -10.176  -6.038  -4.043
  307   1HB   GLU  41          2HB       GLU  41  -9.970  -6.900  -6.364
  308   2HB   GLU  41          1HB       GLU  41 -10.469  -8.486  -5.793
  309   1HG   GLU  41          2HG       GLU  41 -12.641  -7.747  -5.302
  310   2HG   GLU  41          1HG       GLU  41 -12.175  -6.050  -5.414
  311    H    TYR  42           H        TYR  42 -10.302  -9.604  -4.103
  312    HA   TYR  42           HA       TYR  42 -12.082  -9.488  -1.765
  313   1HB   TYR  42          2HB       TYR  42 -12.788 -11.774  -2.446
  314   2HB   TYR  42          1HB       TYR  42 -13.118 -10.555  -3.673
  315    HD1  TYR  42           1HD      TYR  42 -12.142 -10.695  -5.831
  316    HD2  TYR  42           2HD      TYR  42 -10.857 -13.332  -2.749
  317    HE1  TYR  42           1HE      TYR  42 -10.920 -12.033  -7.493
  318    HE2  TYR  42           2HE      TYR  42  -9.630 -14.676  -4.403
  319    HH   TYR  42           HH       TYR  42 -10.122 -14.793  -7.408
  Start of MODEL    6
    1   1H    ILE   1          1HT       ILE   1   5.255   8.796 -13.250
    2   2H    ILE   1          2HT       ILE   1   4.219  10.020 -13.863
    3   3H    ILE   1          3HT       ILE   1   3.920   8.371 -14.238
    4    HA   ILE   1           HA       ILE   1   2.403   8.778 -12.638
    5    HB   ILE   1           HB       ILE   1   4.783   7.924 -10.995
    6   1HG1  ILE   1          2HG1      ILE   1   4.714   6.654 -13.107
    7   2HG1  ILE   1          1HG1      ILE   1   4.323   5.637 -11.725
    8   1HG2  ILE   1          1HG2      ILE   1   2.124   6.694 -10.668
    9   2HG2  ILE   1          2HG2      ILE   1   2.267   8.379 -10.169
   10   3HG2  ILE   1          3HG2      ILE   1   3.320   7.156  -9.458
   11   1HD1  ILE   1          1HD1      ILE   1   1.860   6.267 -12.369
   12   2HD1  ILE   1          2HD1      ILE   1   2.722   4.977 -13.206
   13   3HD1  ILE   1          3HD1      ILE   1   2.589   6.573 -13.945
   14    H    MED   2           H        DME   2   1.515  10.361 -11.494
   15    HA   MED   2           HA       DME   2   1.249  12.262 -10.275
   16   1HB   MED   2          1HB       DME   2   2.816  13.133 -12.060
   17   2HB   MED   2          2HB       DME   2   4.132  12.881 -10.920
   18   1HG   MED   2          1HG       DME   2   3.112  14.445  -9.368
   19   2HG   MED   2          2HG       DME   2   1.754  14.671 -10.469
   20   1HE   MED   2          1HE       DME   2   1.998  15.749 -12.898
   21   2HE   MED   2          2HE       DME   2   3.310  14.639 -13.294
   22   3HE   MED   2          3HE       DME   2   3.516  16.373 -13.543
   23    H    PHE   3           H        PHE   3   1.076  12.250  -8.142
   24    HA   PHE   3           HA       PHE   3   3.244  11.087  -6.548
   25   1HB   PHE   3          2HB       PHE   3   3.097  13.739  -6.652
   26   2HB   PHE   3          1HB       PHE   3   1.845  13.478  -5.442
   27    HD1  PHE   3           1HD      PHE   3   5.307  12.288  -6.178
   28    HD2  PHE   3           2HD      PHE   3   2.495  13.570  -3.252
   29    HE1  PHE   3           1HE      PHE   3   7.036  12.093  -4.438
   30    HE2  PHE   3           2HE      PHE   3   4.219  13.378  -1.506
   31    HZ   PHE   3           HZ       PHE   3   6.492  12.639  -2.099
   32    H    PHE   4           H        PHE   4  -0.091  12.311  -6.528
   33    HA   PHE   4           HA       PHE   4  -0.766  10.193  -4.593
   34   1HB   PHE   4          2HB       PHE   4  -2.622  11.612  -3.847
   35   2HB   PHE   4          1HB       PHE   4  -1.082  12.447  -3.673
   36    HD1  PHE   4           1HD      PHE   4  -0.426  14.122  -5.464
   37    HD2  PHE   4           2HD      PHE   4  -4.363  12.555  -5.074
   38    HE1  PHE   4           1HE      PHE   4  -1.303  16.014  -6.769
   39    HE2  PHE   4           2HE      PHE   4  -5.248  14.443  -6.379
   40    HZ   PHE   4           HZ       PHE   4  -3.717  16.176  -7.230
   41    H    GLU   5           H        GLU   5  -0.668   9.329  -7.102
   42    HA   GLU   5           HA       GLU   5  -3.340   9.540  -8.267
   43   1HB   GLU   5          2HB       GLU   5  -0.857   9.443  -9.425
   44   2HB   GLU   5          1HB       GLU   5  -1.394   7.777  -9.586
   45   1HG   GLU   5          2HG       GLU   5  -3.478   8.615 -10.648
   46   2HG   GLU   5          1HG       GLU   5  -2.791  10.238 -10.604
   47    H    MET   6           H        MET   6  -3.219   8.215  -5.810
   48    HA   MET   6           HA       MET   6  -4.235   5.612  -6.604
   49   1HB   MET   6          2HB       MET   6  -2.005   5.923  -4.587
   50   2HB   MET   6          1HB       MET   6  -2.915   4.443  -4.849
   51   1HG   MET   6          2HG       MET   6  -2.144   4.614  -7.277
   52   2HG   MET   6          1HG       MET   6  -0.983   5.802  -6.688
   53   1HE   MET   6          1HE       MET   6   1.487   2.900  -7.073
   54   2HE   MET   6          2HE       MET   6   1.196   4.628  -7.280
   55   3HE   MET   6          3HE       MET   6   0.237   3.457  -8.186
   56    H    GLN   7           H        GLN   7  -5.172   4.457  -4.619
   57    HA   GLN   7           HA       GLN   7  -6.315   6.446  -2.770
   58   1HB   GLN   7          2HB       GLN   7  -7.768   4.042  -3.886
   59   2HB   GLN   7          1HB       GLN   7  -8.441   5.299  -2.858
   60   1HG   GLN   7          2HG       GLN   7  -7.239   6.180  -5.407
   61   2HG   GLN   7          1HG       GLN   7  -8.737   5.254  -5.510
   62   1HE2  GLN   7          1HE2      GLN   7 -10.513   6.025  -4.077
   63   2HE2  GLN   7          2HE2      GLN   7 -10.712   7.732  -3.903
   64    H    ALA   8           H        ALA   8  -7.579   5.040  -0.967
   65    HA   ALA   8           HA       ALA   8  -5.469   3.493   0.304
   66   1HB   ALA   8          1HB       ALA   8  -6.223   4.697   2.027
   67   2HB   ALA   8          2HB       ALA   8  -7.574   3.564   2.078
   68   3HB   ALA   8          3HB       ALA   8  -7.732   5.088   1.204
   69    H    CYS   9           H        CYS   9  -5.573   1.355   0.801
   70    HA   CYS   9           HA       CYS   9  -7.037  -0.399  -0.747
   71   1HB   CYS   9          2HB       CYS   9  -4.987  -0.839   0.745
   72   2HB   CYS   9          1HB       CYS   9  -6.146  -1.107   2.039
   73    H    TRP  10           H        TRP  10  -7.950   1.207   2.188
   74    HA   TRP  10           HA       TRP  10 -10.275  -0.492   2.589
   75   1HB   TRP  10          2HB       TRP  10 -10.547   1.725   4.266
   76   2HB   TRP  10          1HB       TRP  10  -9.941   0.147   4.717
   77    HD1  TRP  10           HD       TRP  10  -7.113  -0.095   4.435
   78    HE1  TRP  10           1HE      TRP  10  -5.341   1.683   5.025
   79    HE3  TRP  10           3HE      TRP  10 -10.103   4.000   4.432
   80    HZ2  TRP  10           2HZ      TRP  10  -5.245   4.490   5.434
   81    HZ3  TRP  10           3HZ      TRP  10  -9.122   6.210   4.927
   82    HH2  TRP  10           HH       TRP  10  -6.738   6.446   5.420
   83    H    SER  11           H        SER  11  -9.462   2.639   1.286
   84    HA   SER  11           HA       SER  11 -11.982   3.828   1.220
   85   1HB   SER  11          2HB       SER  11  -9.517   4.618   0.454
   86   2HB   SER  11          1HB       SER  11 -10.228   4.287  -1.126
   87    HG   SER  11           HG       SER  11 -10.809   6.275   0.701
   88    H    HIS  12           H        HIS  12 -10.570   1.360  -0.810
   89    HA   HIS  12           HA       HIS  12 -12.960   1.400  -2.524
   90   1HB   HIS  12          2HB       HIS  12 -10.243   1.254  -3.178
   91   2HB   HIS  12          1HB       HIS  12 -10.859  -0.375  -3.439
   92    HD1  HIS  12           1HD      HIS  12 -13.725   0.551  -4.428
   93    HD2  HIS  12           2HD      HIS  12 -10.076   1.948  -5.843
   94    HE1  HIS  12           1HE      HIS  12 -14.190   1.426  -6.740
   95    HE2  HIS  12           2HE      HIS  12 -11.986   2.346  -7.541
   96    H    SER  13           H        SER  13 -12.166  -0.003   0.218
   97    HA   SER  13           HA       SER  13 -12.711  -1.927   1.299
   98   1HB   SER  13          2HB       SER  13 -14.733  -1.685  -0.861
   99   2HB   SER  13          1HB       SER  13 -14.619  -3.251  -0.059
  100    HG   SER  13           HG       SER  13 -14.814  -0.825   1.380
  101    H    GLY  14           H        GLY  14 -10.590  -2.780   0.860
  102   1HA   GLY  14          2HA       GLY  14 -10.711  -5.116  -0.934
  103   2HA   GLY  14          1HA       GLY  14  -9.311  -4.052  -0.944
  104    H    VAL  15           H        VAL  15  -8.171  -6.089  -0.456
  105    HA   VAL  15           HA       VAL  15  -7.996  -6.444   2.447
  106    HB   VAL  15           HB       VAL  15  -7.937  -8.815   0.590
  107   1HG1  VAL  15          1HG1      VAL  15  -6.813  -9.393   2.534
  108   2HG1  VAL  15          2HG1      VAL  15  -8.459  -9.938   2.859
  109   3HG1  VAL  15          3HG1      VAL  15  -7.876  -8.426   3.556
  110   1HG2  VAL  15          1HG2      VAL  15 -10.185  -9.355   1.266
  111   2HG2  VAL  15          2HG2      VAL  15 -10.172  -7.739   0.558
  112   3HG2  VAL  15          3HG2      VAL  15 -10.252  -7.934   2.310
  113    H    CYS  16           H        CYS  16  -5.949  -6.423   3.152
  114    HA   CYS  16           HA       CYS  16  -3.817  -6.497   1.155
  115   1HB   CYS  16          2HB       CYS  16  -4.065  -5.323   3.893
  116   2HB   CYS  16          1HB       CYS  16  -2.466  -5.702   3.264
  117    H    ARG  17           H        ARG  17  -3.263  -8.544   0.807
  118    HA   ARG  17           HA       ARG  17  -2.798 -10.305   3.114
  119   1HB   ARG  17          2HB       ARG  17  -2.882 -11.168   0.231
  120   2HB   ARG  17          1HB       ARG  17  -3.081 -12.159   1.669
  121   1HG   ARG  17          2HG       ARG  17  -5.088 -10.155   1.704
  122   2HG   ARG  17          1HG       ARG  17  -5.069 -10.885   0.099
  123   1HD   ARG  17          2HD       ARG  17  -6.219 -12.598   0.923
  124   2HD   ARG  17          1HD       ARG  17  -4.823 -13.009   1.916
  125    HE   ARG  17           HE       ARG  17  -7.267 -11.779   2.785
  126   1HH1  ARG  17          1HH1      ARG  17  -3.877 -12.205   3.489
  127   2HH1  ARG  17          2HH1      ARG  17  -4.060 -11.891   5.182
  128   1HH2  ARG  17          1HH2      ARG  17  -7.511 -11.365   5.013
  129   2HH2  ARG  17          2HH2      ARG  17  -6.123 -11.414   6.047
  130    H    ASP  18           H        ASP  18  -0.918 -11.722   3.059
  131    HA   ASP  18           HA       ASP  18   1.475 -10.370   2.741
  132   1HB   ASP  18          2HB       ASP  18   2.535 -12.649   2.925
  133   2HB   ASP  18          1HB       ASP  18   1.386 -12.261   4.203
  134    H    LYS  19           H        LYS  19   2.975 -10.229   1.178
  135    HA   LYS  19           HA       LYS  19   2.213 -10.441  -1.505
  136   1HB   LYS  19          2HB       LYS  19   4.591  -9.999  -2.020
  137   2HB   LYS  19          1HB       LYS  19   3.944  -8.900  -0.810
  138   1HG   LYS  19          2HG       LYS  19   5.254  -9.731   0.852
  139   2HG   LYS  19          1HG       LYS  19   5.304 -11.351   0.154
  140   1HD   LYS  19          2HD       LYS  19   6.625  -9.990  -1.751
  141   2HD   LYS  19          1HD       LYS  19   7.038  -9.010  -0.342
  142   1HE   LYS  19          2HE       LYS  19   8.692 -10.507  -0.071
  143   2HE   LYS  19          1HE       LYS  19   7.424 -11.511   0.634
  144   1HZ   LYS  19          1HZ       LYS  19   7.146 -12.093  -1.948
  145   2HZ   LYS  19          2HZ       LYS  19   8.143 -12.969  -0.899
  146   3HZ   LYS  19          3HZ       LYS  19   8.809 -11.781  -1.903
  147    H    SER  20           H        SER  20   3.421 -12.829   0.640
  148    HA   SER  20           HA       SER  20   4.364 -14.546  -1.515
  149   1HB   SER  20          2HB       SER  20   5.079 -14.244   1.170
  150   2HB   SER  20          1HB       SER  20   4.272 -15.809   1.094
  151    HG   SER  20           HG       SER  20   6.539 -14.925  -0.344
  152    H    GLU  21           H        GLU  21   1.416 -13.797  -0.880
  153    HA   GLU  21           HA       GLU  21   0.300 -16.419  -0.376
  154   1HB   GLU  21          2HB       GLU  21  -0.558 -13.853   0.199
  155   2HB   GLU  21          1HB       GLU  21  -1.592 -14.336  -1.134
  156   1HG   GLU  21          2HG       GLU  21  -1.432 -16.499   0.692
  157   2HG   GLU  21          1HG       GLU  21  -1.776 -15.031   1.604
  158    H    ARG  22           H        ARG  22  -1.247 -17.330  -1.765
  159    HA   ARG  22           HA       ARG  22  -0.600 -16.943  -4.585
  160   1HB   ARG  22          2HB       ARG  22  -1.252 -19.225  -2.882
  161   2HB   ARG  22          1HB       ARG  22  -2.133 -19.225  -4.399
  162   1HG   ARG  22          2HG       ARG  22   0.586 -18.587  -4.931
  163   2HG   ARG  22          1HG       ARG  22   0.528 -20.020  -3.906
  164   1HD   ARG  22          2HD       ARG  22   0.487 -20.716  -6.205
  165   2HD   ARG  22          1HD       ARG  22  -1.096 -21.024  -5.493
  166    HE   ARG  22           HE       ARG  22  -0.902 -18.488  -6.833
  167   1HH1  ARG  22          1HH1      ARG  22  -1.564 -21.892  -7.230
  168   2HH1  ARG  22          2HH1      ARG  22  -2.516 -21.668  -8.659
  169   1HH2  ARG  22          1HH2      ARG  22  -2.154 -18.191  -8.712
  170   2HH2  ARG  22          2HH2      ARG  22  -2.850 -19.567  -9.502
  171    H    ASN  23           H        ASN  23  -3.018 -16.207  -2.363
  172    HA   ASN  23           HA       ASN  23  -5.010 -15.959  -4.522
  173   1HB   ASN  23          2HB       ASN  23  -5.355 -17.516  -2.365
  174   2HB   ASN  23          1HB       ASN  23  -5.927 -15.992  -1.695
  175   1HD2  ASN  23          1HD2      ASN  23  -7.391 -18.436  -2.287
  176   2HD2  ASN  23          2HD2      ASN  23  -8.650 -17.989  -3.382
  177    H    CYS  24           H        CYS  24  -3.722 -13.892  -4.801
  178    HA   CYS  24           HA       CYS  24  -5.157 -11.768  -3.437
  179   1HB   CYS  24          2HB       CYS  24  -3.173 -12.112  -2.023
  180   2HB   CYS  24          1HB       CYS  24  -2.133 -11.889  -3.425
  181    H    LYS  25           H        LYS  25  -6.054 -10.931  -5.233
  182    HA   LYS  25           HA       LYS  25  -4.414 -10.501  -7.610
  183   1HB   LYS  25          2HB       LYS  25  -7.242 -10.908  -7.079
  184   2HB   LYS  25          1HB       LYS  25  -6.974  -9.516  -8.119
  185   1HG   LYS  25          2HG       LYS  25  -5.431 -11.140  -9.442
  186   2HG   LYS  25          1HG       LYS  25  -6.356 -12.391  -8.610
  187   1HD   LYS  25          2HD       LYS  25  -8.441 -11.268  -9.447
  188   2HD   LYS  25          1HD       LYS  25  -7.405 -10.237 -10.437
  189   1HE   LYS  25          2HE       LYS  25  -8.278 -12.138 -11.712
  190   2HE   LYS  25          1HE       LYS  25  -6.520 -12.190 -11.580
  191   1HZ   LYS  25          1HZ       LYS  25  -7.717 -14.348 -11.200
  192   2HZ   LYS  25          2HZ       LYS  25  -8.302 -13.694  -9.754
  193   3HZ   LYS  25          3HZ       LYS  25  -6.638 -13.892  -9.979
  194    HA   PRO  26           HA       PRO  26  -3.804  -6.366  -5.727
  195   1HB   PRO  26          2HB       PRO  26  -1.922  -5.653  -7.628
  196   2HB   PRO  26          1HB       PRO  26  -1.561  -6.446  -6.092
  197   1HG   PRO  26          2HG       PRO  26  -1.861  -7.636  -8.817
  198   2HG   PRO  26          1HG       PRO  26  -0.689  -8.026  -7.545
  199   1HD   PRO  26          2HD       PRO  26  -2.807  -9.591  -8.004
  200   2HD   PRO  26          1HD       PRO  26  -2.220  -9.302  -6.353
  201    H    MET  27           H        MET  27  -5.022  -4.662  -6.177
  202    HA   MET  27           HA       MET  27  -6.081  -4.356  -8.894
  203   1HB   MET  27          2HB       MET  27  -7.043  -3.620  -6.175
  204   2HB   MET  27          1HB       MET  27  -7.521  -2.582  -7.512
  205   1HG   MET  27          2HG       MET  27  -7.881  -5.397  -8.114
  206   2HG   MET  27          1HG       MET  27  -8.782  -4.889  -6.687
  207   1HE   MET  27          1HE       MET  27 -11.605  -4.245  -7.499
  208   2HE   MET  27          2HE       MET  27 -11.319  -2.515  -7.695
  209   3HE   MET  27          3HE       MET  27 -10.428  -3.423  -6.473
  210    H    ALA  28           H        ALA  28  -6.440  -2.040  -9.602
  211    HA   ALA  28           HA       ALA  28  -3.930  -0.610  -9.292
  212   1HB   ALA  28          1HB       ALA  28  -5.046   0.860 -11.114
  213   2HB   ALA  28          2HB       ALA  28  -6.199  -0.469 -11.237
  214   3HB   ALA  28          3HB       ALA  28  -4.485  -0.759 -11.535
  215    H    TRP  29           H        TRP  29  -4.234   1.890  -9.433
  216    HA   TRP  29           HA       TRP  29  -4.549   3.703  -8.080
  217   1HB   TRP  29          2HB       TRP  29  -7.484   3.159  -8.273
  218   2HB   TRP  29          1HB       TRP  29  -6.609   4.675  -8.442
  219    HD1  TRP  29           HD       TRP  29  -8.082   1.895 -10.456
  220    HE1  TRP  29           1HE      TRP  29  -7.586   2.267 -12.954
  221    HE3  TRP  29           3HE      TRP  29  -4.641   5.655 -10.051
  222    HZ2  TRP  29           2HZ      TRP  29  -5.952   3.934 -14.544
  223    HZ3  TRP  29           3HZ      TRP  29  -3.659   6.582 -12.108
  224    HH2  TRP  29           HH       TRP  29  -4.302   5.738 -14.307
  225    H    THR  30           H        THR  30  -3.828   1.848  -6.367
  226    HA   THR  30           HA       THR  30  -4.988   2.617  -3.940
  227    HB   THR  30           HB       THR  30  -6.885   1.251  -4.628
  228    HG1  THR  30           1HG      THR  30  -6.060   1.237  -2.395
  229   1HG2  THR  30          1HG2      THR  30  -5.362  -0.348  -6.005
  230   2HG2  THR  30          2HG2      THR  30  -6.829  -0.956  -5.236
  231   3HG2  THR  30          3HG2      THR  30  -5.258  -1.236  -4.484
  232    H    TYR  31           H        TYR  31  -3.806   1.943  -2.185
  233    HA   TYR  31           HA       TYR  31  -1.732  -0.080  -2.608
  234   1HB   TYR  31          2HB       TYR  31  -0.006   1.385  -1.656
  235   2HB   TYR  31          1HB       TYR  31  -0.674   2.067  -3.136
  236    HD1  TYR  31           1HD      TYR  31  -2.566   3.821  -2.841
  237    HD2  TYR  31           2HD      TYR  31   0.111   2.688   0.265
  238    HE1  TYR  31           1HE      TYR  31  -3.069   5.914  -1.653
  239    HE2  TYR  31           2HE      TYR  31  -0.385   4.778   1.462
  240    HH   TYR  31           HH       TYR  31  -2.563   6.450   1.423
  241    H    CYS  32           H        CYS  32  -0.429  -0.210  -0.373
  242    HA   CYS  32           HA       CYS  32  -2.463  -0.350   1.757
  243   1HB   CYS  32          2HB       CYS  32  -1.390  -2.519   0.712
  244   2HB   CYS  32          1HB       CYS  32  -0.051  -2.121   1.778
  245    H    GLU  33           H        GLU  33  -1.236  -0.621   3.977
  246    HA   GLU  33           HA       GLU  33   0.298   1.800   4.302
  247   1HB   GLU  33          2HB       GLU  33  -1.517   0.938   5.884
  248   2HB   GLU  33          1HB       GLU  33  -0.322  -0.221   6.447
  249   1HG   GLU  33          2HG       GLU  33   0.843   1.326   7.593
  250   2HG   GLU  33          1HG       GLU  33   0.546   2.589   6.400
  251    H    ASN  34           H        ASN  34   0.844  -1.671   4.507
  252    HA   ASN  34           HA       ASN  34   3.622  -1.270   5.290
  253   1HB   ASN  34          2HB       ASN  34   2.062  -3.118   6.199
  254   2HB   ASN  34          1HB       ASN  34   2.357  -3.926   4.662
  255   1HD2  ASN  34          1HD2      ASN  34   4.244  -2.221   7.141
  256   2HD2  ASN  34          2HD2      ASN  34   5.508  -3.395   7.226
  257    H    ARG  35           H        ARG  35   5.388  -1.867   4.043
  258    HA   ARG  35           HA       ARG  35   4.909  -1.830   1.175
  259   1HB   ARG  35          2HB       ARG  35   6.966  -0.890   2.921
  260   2HB   ARG  35          1HB       ARG  35   7.685  -1.999   1.762
  261   1HG   ARG  35          2HG       ARG  35   5.849   0.151   0.810
  262   2HG   ARG  35          1HG       ARG  35   7.524   0.531   1.214
  263   1HD   ARG  35          2HD       ARG  35   8.343  -0.572  -0.579
  264   2HD   ARG  35          1HD       ARG  35   7.125  -1.842  -0.484
  265    HE   ARG  35           HE       ARG  35   5.709   0.293  -1.333
  266   1HH1  ARG  35          1HH1      ARG  35   8.663  -1.191  -2.448
  267   2HH1  ARG  35          2HH1      ARG  35   8.413  -0.739  -4.102
  268   1HH2  ARG  35          1HH2      ARG  35   5.379   0.890  -3.507
  269   2HH2  ARG  35          2HH2      ARG  35   6.550   0.443  -4.703
  270    H    ASN  36           H        ASN  36   4.471  -4.259   2.967
  271    HA   ASN  36           HA       ASN  36   6.123  -6.115   1.387
  272   1HB   ASN  36          2HB       ASN  36   6.786  -5.988   3.813
  273   2HB   ASN  36          1HB       ASN  36   5.188  -6.611   4.217
  274   1HD2  ASN  36          1HD2      ASN  36   4.603  -8.707   3.303
  275   2HD2  ASN  36          2HD2      ASN  36   5.841  -9.891   3.081
  276    H    GLN  37           H        GLN  37   3.005  -5.224   2.535
  277    HA   GLN  37           HA       GLN  37   1.816  -7.730   1.613
  278   1HB   GLN  37          2HB       GLN  37   1.295  -6.275   3.831
  279   2HB   GLN  37          1HB       GLN  37   0.109  -5.589   2.731
  280   1HG   GLN  37          2HG       GLN  37  -0.990  -7.632   2.459
  281   2HG   GLN  37          1HG       GLN  37   0.376  -8.547   3.093
  282   1HE2  GLN  37          1HE2      GLN  37  -0.284  -9.497   4.885
  283   2HE2  GLN  37          2HE2      GLN  37  -1.129  -8.732   6.185
  284    H    LYS  38           H        LYS  38  -0.012  -7.679   0.167
  285    HA   LYS  38           HA       LYS  38   0.044  -5.359  -1.646
  286   1HB   LYS  38          2HB       LYS  38  -1.077  -7.665  -2.924
  287   2HB   LYS  38          1HB       LYS  38   0.353  -6.748  -3.363
  288   1HG   LYS  38          2HG       LYS  38   1.551  -8.138  -1.568
  289   2HG   LYS  38          1HG       LYS  38   0.145  -9.199  -1.659
  290   1HD   LYS  38          2HD       LYS  38   1.035  -8.583  -4.308
  291   2HD   LYS  38          1HD       LYS  38   2.406  -9.149  -3.351
  292   1HE   LYS  38          2HE       LYS  38   1.607 -11.246  -3.225
  293   2HE   LYS  38          1HE       LYS  38  -0.053 -10.704  -2.987
  294   1HZ   LYS  38          1HZ       LYS  38   0.012 -11.816  -5.048
  295   2HZ   LYS  38          2HZ       LYS  38   1.404 -10.997  -5.549
  296   3HZ   LYS  38          3HZ       LYS  38  -0.064 -10.167  -5.422
  297    H    CYS  39           H        CYS  39  -1.856  -4.483  -2.348
  298    HA   CYS  39           HA       CYS  39  -4.225  -5.213  -0.819
  299   1HB   CYS  39          2HB       CYS  39  -3.569  -2.857  -0.863
  300   2HB   CYS  39          1HB       CYS  39  -3.702  -2.840  -2.617
  301    H    CYS  40           H        CYS  40  -5.222  -6.888  -1.730
  302    HA   CYS  40           HA       CYS  40  -5.742  -6.835  -4.611
  303   1HB   CYS  40          2HB       CYS  40  -6.582  -9.301  -3.786
  304   2HB   CYS  40          1HB       CYS  40  -4.992  -8.949  -4.436
  305    H    GLU  41           H        GLU  41  -7.882  -7.725  -5.288
  306    HA   GLU  41           HA       GLU  41  -9.970  -6.184  -4.314
  307   1HB   GLU  41          2HB       GLU  41  -9.633  -7.822  -6.458
  308   2HB   GLU  41          1HB       GLU  41 -10.763  -8.766  -5.498
  309   1HG   GLU  41          2HG       GLU  41 -11.304  -5.879  -6.003
  310   2HG   GLU  41          1HG       GLU  41 -11.637  -7.070  -7.259
  311    H    TYR  42           H        TYR  42  -9.253  -9.602  -3.638
  312    HA   TYR  42           HA       TYR  42 -11.024  -9.407  -1.290
  313   1HB   TYR  42          2HB       TYR  42 -11.231 -11.953  -1.587
  314   2HB   TYR  42          1HB       TYR  42 -12.116 -10.927  -2.710
  315    HD1  TYR  42           1HD      TYR  42  -8.701 -12.440  -2.463
  316    HD2  TYR  42           2HD      TYR  42 -12.078 -11.598  -4.909
  317    HE1  TYR  42           1HE      TYR  42  -7.611 -13.580  -4.351
  318    HE2  TYR  42           2HE      TYR  42 -10.999 -12.737  -6.802
  319    HH   TYR  42           HH       TYR  42  -8.819 -13.387  -7.561
  Start of MODEL    7
    1   1H    ILE   1          1HT       ILE   1 -13.272   9.868 -15.609
    2   2H    ILE   1          2HT       ILE   1 -13.036  11.559 -15.431
    3   3H    ILE   1          3HT       ILE   1 -12.760  10.506 -14.104
    4    HA   ILE   1           HA       ILE   1 -10.996   9.441 -15.350
    5    HB   ILE   1           HB       ILE   1 -10.079  10.651 -17.299
    6   1HG1  ILE   1          2HG1      ILE   1 -12.603  12.049 -17.878
    7   2HG1  ILE   1          1HG1      ILE   1 -11.709  12.712 -16.514
    8   1HG2  ILE   1          1HG2      ILE   1 -12.902   9.629 -17.556
    9   2HG2  ILE   1          2HG2      ILE   1 -11.409   8.705 -17.717
   10   3HG2  ILE   1          3HG2      ILE   1 -11.825   9.924 -18.921
   11   1HD1  ILE   1          1HD1      ILE   1  -9.781  13.077 -17.887
   12   2HD1  ILE   1          2HD1      ILE   1 -11.189  13.792 -18.672
   13   3HD1  ILE   1          3HD1      ILE   1 -10.543  12.255 -19.248
   14    H    MED   2           H        DME   2  -8.802  10.275 -15.192
   15    HA   MED   2           HA       DME   2  -8.641  12.376 -13.196
   16   1HB   MED   2          1HB       DME   2  -8.379  13.279 -15.663
   17   2HB   MED   2          2HB       DME   2  -6.755  12.626 -15.502
   18   1HG   MED   2          1HG       DME   2  -6.793  14.979 -14.951
   19   2HG   MED   2          2HG       DME   2  -6.386  14.016 -13.532
   20   1HE   MED   2          1HE       DME   2  -7.929  15.481 -11.050
   21   2HE   MED   2          2HE       DME   2  -7.812  16.931 -12.047
   22   3HE   MED   2          3HE       DME   2  -6.557  15.696 -12.137
   23    H    PHE   3           H        PHE   3  -6.460  12.525 -12.235
   24    HA   PHE   3           HA       PHE   3  -5.320   9.865 -11.984
   25   1HB   PHE   3          2HB       PHE   3  -4.109  11.681 -13.701
   26   2HB   PHE   3          1HB       PHE   3  -3.178  11.831 -12.214
   27    HD1  PHE   3           1HD      PHE   3  -4.737   9.000 -14.088
   28    HD2  PHE   3           2HD      PHE   3  -1.249  10.607 -12.257
   29    HE1  PHE   3           1HE      PHE   3  -3.496   6.956 -14.668
   30    HE2  PHE   3           2HE      PHE   3  -0.001   8.568 -12.833
   31    HZ   PHE   3           HZ       PHE   3  -1.124   6.739 -14.042
   32    H    PHE   4           H        PHE   4  -5.949   9.787  -9.859
   33    HA   PHE   4           HA       PHE   4  -5.131  11.943  -8.066
   34   1HB   PHE   4          2HB       PHE   4  -6.759   9.465  -7.466
   35   2HB   PHE   4          1HB       PHE   4  -6.518  10.840  -6.393
   36    HD1  PHE   4           1HD      PHE   4  -8.774   9.358  -8.533
   37    HD2  PHE   4           2HD      PHE   4  -7.144  13.177  -7.600
   38    HE1  PHE   4           1HE      PHE   4 -10.770  10.439  -9.483
   39    HE2  PHE   4           2HE      PHE   4  -9.138  14.265  -8.547
   40    HZ   PHE   4           HZ       PHE   4 -10.954  12.894  -9.491
   41    H    GLU   5           H        GLU   5  -3.357   9.761  -9.345
   42    HA   GLU   5           HA       GLU   5  -1.587   8.452  -8.770
   43   1HB   GLU   5          2HB       GLU   5  -1.063  10.765  -7.751
   44   2HB   GLU   5          1HB       GLU   5  -1.440  10.015  -6.206
   45   1HG   GLU   5          2HG       GLU   5   0.742   9.539  -6.167
   46   2HG   GLU   5          1HG       GLU   5   0.289   8.209  -7.234
   47    H    MET   6           H        MET   6  -3.244   6.713  -8.480
   48    HA   MET   6           HA       MET   6  -4.102   4.925  -7.364
   49   1HB   MET   6          2HB       MET   6  -1.422   5.346  -6.455
   50   2HB   MET   6          1HB       MET   6  -2.385   4.745  -5.112
   51   1HG   MET   6          2HG       MET   6  -3.198   3.026  -6.953
   52   2HG   MET   6          1HG       MET   6  -1.629   3.424  -7.653
   53   1HE   MET   6          1HE       MET   6  -2.096   0.485  -7.014
   54   2HE   MET   6          2HE       MET   6  -0.669   0.051  -6.073
   55   3HE   MET   6          3HE       MET   6  -0.513   1.113  -7.472
   56    H    GLN   7           H        GLN   7  -4.461   4.159  -4.832
   57    HA   GLN   7           HA       GLN   7  -5.428   6.391  -3.243
   58   1HB   GLN   7          2HB       GLN   7  -7.250   4.287  -4.412
   59   2HB   GLN   7          1HB       GLN   7  -7.701   5.286  -3.037
   60   1HG   GLN   7          2HG       GLN   7  -6.918   7.180  -4.796
   61   2HG   GLN   7          1HG       GLN   7  -7.549   5.950  -5.890
   62   1HE2  GLN   7          1HE2      GLN   7  -8.320   8.569  -4.003
   63   2HE2  GLN   7          2HE2      GLN   7 -10.031   8.348  -3.912
   64    H    ALA   8           H        ALA   8  -6.838   5.177  -1.326
   65    HA   ALA   8           HA       ALA   8  -4.860   3.404  -0.112
   66   1HB   ALA   8          1HB       ALA   8  -6.609   3.824   1.874
   67   2HB   ALA   8          2HB       ALA   8  -6.922   5.261   0.900
   68   3HB   ALA   8          3HB       ALA   8  -5.294   4.936   1.495
   69    H    CYS   9           H        CYS   9  -5.319   1.361   0.654
   70    HA   CYS   9           HA       CYS   9  -7.137  -0.210  -0.746
   71   1HB   CYS   9          2HB       CYS   9  -5.067  -0.850   0.722
   72   2HB   CYS   9          1HB       CYS   9  -6.257  -0.995   2.007
   73    H    TRP  10           H        TRP  10  -7.611   1.759   2.043
   74    HA   TRP  10           HA       TRP  10 -10.095   0.442   2.783
   75   1HB   TRP  10          2HB       TRP  10  -9.964   2.850   4.191
   76   2HB   TRP  10          1HB       TRP  10  -9.526   1.267   4.793
   77    HD1  TRP  10           HD       TRP  10  -6.778   0.627   4.381
   78    HE1  TRP  10           1HE      TRP  10  -4.762   2.213   4.642
   79    HE3  TRP  10           3HE      TRP  10  -9.232   5.050   4.046
   80    HZ2  TRP  10           2HZ      TRP  10  -4.291   5.011   4.697
   81    HZ3  TRP  10           3HZ      TRP  10  -7.952   7.156   4.207
   82    HH2  TRP  10           HH       TRP  10  -5.527   7.131   4.529
   83    H    SER  11           H        SER  11  -8.994   3.293   1.091
   84    HA   SER  11           HA       SER  11 -11.366   4.760   1.015
   85   1HB   SER  11          2HB       SER  11  -8.845   4.699  -0.500
   86   2HB   SER  11          1HB       SER  11 -10.222   5.308  -1.418
   87    HG   SER  11           HG       SER  11  -9.599   6.236   1.181
   88    H    HIS  12           H        HIS  12 -10.351   1.953  -0.792
   89    HA   HIS  12           HA       HIS  12 -12.813   2.090  -2.396
   90   1HB   HIS  12          2HB       HIS  12 -10.084   1.236  -2.979
   91   2HB   HIS  12          1HB       HIS  12 -11.283   0.037  -3.457
   92    HD1  HIS  12           1HD      HIS  12 -13.218   0.981  -5.099
   93    HD2  HIS  12           2HD      HIS  12  -9.801   3.313  -4.717
   94    HE1  HIS  12           1HE      HIS  12 -13.252   2.550  -7.064
   95    HE2  HIS  12           2HE      HIS  12 -11.128   3.890  -6.860
   96    H    SER  13           H        SER  13 -11.669   0.684   0.360
   97    HA   SER  13           HA       SER  13 -12.387  -1.030   1.667
   98   1HB   SER  13          2HB       SER  13 -14.619  -1.293  -0.363
   99   2HB   SER  13          1HB       SER  13 -14.608  -1.963   1.269
  100    HG   SER  13           HG       SER  13 -14.630   0.124   2.090
  101    H    GLY  14           H        GLY  14 -10.551  -2.284   1.201
  102   1HA   GLY  14          2HA       GLY  14 -11.152  -4.641  -0.457
  103   2HA   GLY  14          1HA       GLY  14  -9.634  -3.786  -0.690
  104    H    VAL  15           H        VAL  15  -8.359  -5.542  -0.107
  105    HA   VAL  15           HA       VAL  15  -8.256  -6.035   2.781
  106    HB   VAL  15           HB       VAL  15  -7.990  -8.291   0.798
  107   1HG1  VAL  15          1HG1      VAL  15  -7.904  -8.032   3.762
  108   2HG1  VAL  15          2HG1      VAL  15  -6.905  -9.007   2.683
  109   3HG1  VAL  15          3HG1      VAL  15  -8.551  -9.514   3.059
  110   1HG2  VAL  15          1HG2      VAL  15 -10.236  -9.012   1.745
  111   2HG2  VAL  15          2HG2      VAL  15 -10.254  -7.670   0.601
  112   3HG2  VAL  15          3HG2      VAL  15 -10.402  -7.357   2.331
  113    H    CYS  16           H        CYS  16  -6.181  -6.985   3.471
  114    HA   CYS  16           HA       CYS  16  -4.000  -6.362   1.592
  115   1HB   CYS  16          2HB       CYS  16  -4.326  -5.608   4.474
  116   2HB   CYS  16          1HB       CYS  16  -2.714  -5.815   3.799
  117    H    ARG  17           H        ARG  17  -3.176  -8.258   1.007
  118    HA   ARG  17           HA       ARG  17  -2.748 -10.300   3.086
  119   1HB   ARG  17          2HB       ARG  17  -2.796 -10.841   0.126
  120   2HB   ARG  17          1HB       ARG  17  -2.974 -11.987   1.447
  121   1HG   ARG  17          2HG       ARG  17  -5.039 -10.043   1.659
  122   2HG   ARG  17          1HG       ARG  17  -4.993 -10.641   0.000
  123   1HD   ARG  17          2HD       ARG  17  -5.738 -12.676   0.588
  124   2HD   ARG  17          1HD       ARG  17  -4.730 -12.731   2.033
  125    HE   ARG  17           HE       ARG  17  -6.981 -10.950   2.242
  126   1HH1  ARG  17          1HH1      ARG  17  -5.871 -14.233   2.658
  127   2HH1  ARG  17          2HH1      ARG  17  -7.101 -14.635   3.808
  128   1HH2  ARG  17          1HH2      ARG  17  -8.599 -11.479   3.755
  129   2HH2  ARG  17          2HH2      ARG  17  -8.650 -13.072   4.430
  130    H    ASP  18           H        ASP  18  -0.874 -11.833   2.432
  131    HA   ASP  18           HA       ASP  18   1.494 -10.265   2.392
  132   1HB   ASP  18          2HB       ASP  18   0.799 -13.108   2.728
  133   2HB   ASP  18          1HB       ASP  18   2.376 -12.821   1.997
  134    H    LYS  19           H        LYS  19   2.804  -9.749   0.773
  135    HA   LYS  19           HA       LYS  19   1.984  -9.983  -1.906
  136   1HB   LYS  19          2HB       LYS  19   4.233  -9.071  -2.444
  137   2HB   LYS  19          1HB       LYS  19   3.380  -8.146  -1.216
  138   1HG   LYS  19          2HG       LYS  19   5.133  -8.342   0.118
  139   2HG   LYS  19          1HG       LYS  19   4.899 -10.091   0.145
  140   1HD   LYS  19          2HD       LYS  19   6.146  -9.924  -2.187
  141   2HD   LYS  19          1HD       LYS  19   6.781  -8.444  -1.465
  142   1HE   LYS  19          2HE       LYS  19   7.597  -9.708   0.447
  143   2HE   LYS  19          1HE       LYS  19   6.915 -11.190  -0.221
  144   1HZ   LYS  19          1HZ       LYS  19   9.178  -9.593  -1.268
  145   2HZ   LYS  19          2HZ       LYS  19   8.394 -10.767  -2.200
  146   3HZ   LYS  19          3HZ       LYS  19   9.182 -11.211  -0.771
  147    H    SER  20           H        SER  20   3.628 -12.189   0.112
  148    HA   SER  20           HA       SER  20   4.929 -13.576  -2.084
  149   1HB   SER  20          2HB       SER  20   5.524 -13.306   0.601
  150   2HB   SER  20          1HB       SER  20   4.907 -14.954   0.492
  151    HG   SER  20           HG       SER  20   7.299 -14.223  -0.075
  152    H    GLU  21           H        GLU  21   1.855 -13.404  -1.491
  153    HA   GLU  21           HA       GLU  21   1.216 -16.208  -1.239
  154   1HB   GLU  21          2HB       GLU  21  -0.094 -13.903  -0.504
  155   2HB   GLU  21          1HB       GLU  21  -0.977 -14.405  -1.934
  156   1HG   GLU  21          2HG       GLU  21  -0.540 -16.688  -0.311
  157   2HG   GLU  21          1HG       GLU  21  -1.164 -15.393   0.709
  158    H    ARG  22           H        ARG  22  -0.045 -17.296  -2.754
  159    HA   ARG  22           HA       ARG  22   0.510 -16.515  -5.515
  160   1HB   ARG  22          2HB       ARG  22   0.515 -19.038  -4.031
  161   2HB   ARG  22          1HB       ARG  22  -0.288 -19.136  -5.585
  162   1HG   ARG  22          2HG       ARG  22   2.134 -17.708  -5.937
  163   2HG   ARG  22          1HG       ARG  22   2.481 -19.169  -5.012
  164   1HD   ARG  22          2HD       ARG  22   0.684 -19.801  -7.149
  165   2HD   ARG  22          1HD       ARG  22   2.072 -18.925  -7.792
  166    HE   ARG  22           HE       ARG  22   2.047 -21.600  -6.912
  167   1HH1  ARG  22          1HH1      ARG  22   4.029 -18.731  -6.781
  168   2HH1  ARG  22          2HH1      ARG  22   5.513 -19.611  -6.640
  169   1HH2  ARG  22          1HH2      ARG  22   3.998 -22.760  -6.726
  170   2HH2  ARG  22          2HH2      ARG  22   5.496 -21.898  -6.608
  171    H    ASN  23           H        ASN  23  -2.010 -16.830  -3.277
  172    HA   ASN  23           HA       ASN  23  -4.000 -16.916  -5.448
  173   1HB   ASN  23          2HB       ASN  23  -3.868 -18.713  -3.469
  174   2HB   ASN  23          1HB       ASN  23  -4.833 -17.487  -2.652
  175   1HD2  ASN  23          1HD2      ASN  23  -6.600 -16.570  -4.209
  176   2HD2  ASN  23          2HD2      ASN  23  -7.552 -17.779  -4.995
  177    H    CYS  24           H        CYS  24  -3.406 -14.553  -5.530
  178    HA   CYS  24           HA       CYS  24  -5.323 -13.082  -3.898
  179   1HB   CYS  24          2HB       CYS  24  -2.831 -13.058  -2.985
  180   2HB   CYS  24          1HB       CYS  24  -2.638 -11.821  -4.222
  181    H    LYS  25           H        LYS  25  -6.308 -11.456  -4.971
  182    HA   LYS  25           HA       LYS  25  -5.520 -11.045  -7.763
  183   1HB   LYS  25          2HB       LYS  25  -8.088 -10.543  -6.264
  184   2HB   LYS  25          1HB       LYS  25  -7.811  -9.929  -7.890
  185   1HG   LYS  25          2HG       LYS  25  -8.739 -11.849  -8.547
  186   2HG   LYS  25          1HG       LYS  25  -7.161 -12.551  -8.189
  187   1HD   LYS  25          2HD       LYS  25  -7.875 -13.496  -6.222
  188   2HD   LYS  25          1HD       LYS  25  -9.145 -12.296  -5.983
  189   1HE   LYS  25          2HE       LYS  25 -10.322 -13.320  -7.964
  190   2HE   LYS  25          1HE       LYS  25  -9.138 -14.625  -7.890
  191   1HZ   LYS  25          1HZ       LYS  25  -9.951 -15.359  -5.867
  192   2HZ   LYS  25          2HZ       LYS  25 -11.365 -14.912  -6.681
  193   3HZ   LYS  25          3HZ       LYS  25 -10.709 -13.890  -5.505
  194    HA   PRO  26           HA       PRO  26  -3.779  -7.227  -5.884
  195   1HB   PRO  26          2HB       PRO  26  -2.302  -6.645  -8.142
  196   2HB   PRO  26          1HB       PRO  26  -1.728  -7.628  -6.791
  197   1HG   PRO  26          2HG       PRO  26  -2.863  -8.492  -9.418
  198   2HG   PRO  26          1HG       PRO  26  -1.502  -9.170  -8.506
  199   1HD   PRO  26          2HD       PRO  26  -3.908 -10.347  -8.507
  200   2HD   PRO  26          1HD       PRO  26  -2.890 -10.325  -7.051
  201    H    MET  27           H        MET  27  -5.060  -5.512  -5.885
  202    HA   MET  27           HA       MET  27  -6.429  -4.735  -8.360
  203   1HB   MET  27          2HB       MET  27  -7.467  -5.078  -5.892
  204   2HB   MET  27          1HB       MET  27  -7.073  -3.366  -5.812
  205   1HG   MET  27          2HG       MET  27  -8.439  -4.148  -8.271
  206   2HG   MET  27          1HG       MET  27  -9.381  -4.425  -6.807
  207   1HE   MET  27          1HE       MET  27 -10.399  -3.081  -5.527
  208   2HE   MET  27          2HE       MET  27 -10.964  -1.482  -6.011
  209   3HE   MET  27          3HE       MET  27  -9.586  -1.636  -4.921
  210    H    ALA  28           H        ALA  28  -5.764  -3.023  -9.470
  211    HA   ALA  28           HA       ALA  28  -3.550  -1.457  -8.595
  212   1HB   ALA  28          1HB       ALA  28  -3.686  -0.361 -10.708
  213   2HB   ALA  28          2HB       ALA  28  -5.353  -0.886 -10.938
  214   3HB   ALA  28          3HB       ALA  28  -4.045  -2.068 -10.974
  215    H    TRP  29           H        TRP  29  -4.017   1.090  -9.369
  216    HA   TRP  29           HA       TRP  29  -4.613   3.070  -8.417
  217   1HB   TRP  29          2HB       TRP  29  -7.453   2.194  -8.365
  218   2HB   TRP  29          1HB       TRP  29  -6.741   3.674  -8.991
  219    HD1  TRP  29           HD       TRP  29  -8.055   0.369 -10.089
  220    HE1  TRP  29           1HE      TRP  29  -7.679   0.061 -12.616
  221    HE3  TRP  29           3HE      TRP  29  -4.873   4.283 -10.919
  222    HZ2  TRP  29           2HZ      TRP  29  -6.225   1.312 -14.687
  223    HZ3  TRP  29           3HZ      TRP  29  -4.035   4.658 -13.201
  224    HH2  TRP  29           HH       TRP  29  -4.697   3.202 -15.046
  225    H    THR  30           H        THR  30  -3.952   1.026  -6.485
  226    HA   THR  30           HA       THR  30  -4.758   2.314  -4.134
  227    HB   THR  30           HB       THR  30  -6.938   1.309  -4.566
  228    HG1  THR  30           1HG      THR  30  -6.004   1.392  -2.381
  229   1HG2  THR  30          1HG2      THR  30  -7.284  -0.757  -5.276
  230   2HG2  THR  30          2HG2      THR  30  -6.260  -1.437  -4.013
  231   3HG2  THR  30          3HG2      THR  30  -5.543  -0.880  -5.524
  232    H    TYR  31           H        TYR  31  -3.666   1.570  -2.319
  233    HA   TYR  31           HA       TYR  31  -2.045  -0.852  -2.605
  234   1HB   TYR  31          2HB       TYR  31  -0.025   0.313  -1.855
  235   2HB   TYR  31          1HB       TYR  31  -0.624   1.004  -3.360
  236    HD1  TYR  31           1HD      TYR  31  -2.210   3.084  -3.077
  237    HD2  TYR  31           2HD      TYR  31   0.532   1.735  -0.117
  238    HE1  TYR  31           1HE      TYR  31  -2.235   5.316  -2.046
  239    HE2  TYR  31           2HE      TYR  31   0.515   3.964   0.923
  240    HH   TYR  31           HH       TYR  31  -0.089   6.509  -0.189
  241    H    CYS  32           H        CYS  32  -0.757  -1.158  -0.435
  242    HA   CYS  32           HA       CYS  32  -2.738  -0.899   1.711
  243   1HB   CYS  32          2HB       CYS  32  -1.740  -3.147   1.007
  244   2HB   CYS  32          1HB       CYS  32  -0.260  -2.614   1.784
  245    H    GLU  33           H        GLU  33  -1.768  -0.702   3.943
  246    HA   GLU  33           HA       GLU  33  -0.176   1.694   4.016
  247   1HB   GLU  33          2HB       GLU  33  -2.080   1.357   5.547
  248   2HB   GLU  33          1HB       GLU  33  -1.240   0.000   6.284
  249   1HG   GLU  33          2HG       GLU  33   0.623   1.937   6.544
  250   2HG   GLU  33          1HG       GLU  33  -0.857   2.888   6.646
  251    H    ASN  34           H        ASN  34   0.342  -1.710   4.506
  252    HA   ASN  34           HA       ASN  34   2.943  -1.288   5.739
  253   1HB   ASN  34          2HB       ASN  34   1.217  -3.188   6.268
  254   2HB   ASN  34          1HB       ASN  34   1.933  -3.971   4.862
  255   1HD2  ASN  34          1HD2      ASN  34   2.333  -3.098   8.152
  256   2HD2  ASN  34          2HD2      ASN  34   3.865  -3.857   8.399
  257    H    ARG  35           H        ARG  35   4.912  -1.979   4.823
  258    HA   ARG  35           HA       ARG  35   5.003  -1.731   1.949
  259   1HB   ARG  35          2HB       ARG  35   6.786  -1.309   4.199
  260   2HB   ARG  35          1HB       ARG  35   7.578  -2.177   2.895
  261   1HG   ARG  35          2HG       ARG  35   7.935   0.183   2.636
  262   2HG   ARG  35          1HG       ARG  35   6.898  -0.402   1.335
  263   1HD   ARG  35          2HD       ARG  35   4.989   0.579   2.256
  264   2HD   ARG  35          1HD       ARG  35   5.737   0.756   3.844
  265    HE   ARG  35           HE       ARG  35   7.077   2.278   1.830
  266   1HH1  ARG  35          1HH1      ARG  35   4.334   2.262   3.989
  267   2HH1  ARG  35          2HH1      ARG  35   4.216   3.989   4.053
  268   1HH2  ARG  35          1HH2      ARG  35   6.923   4.550   1.914
  269   2HH2  ARG  35          2HH2      ARG  35   5.685   5.288   2.875
  270    H    ASN  36           H        ASN  36   4.150  -4.275   3.586
  271    HA   ASN  36           HA       ASN  36   5.617  -6.123   1.857
  272   1HB   ASN  36          2HB       ASN  36   6.441  -5.974   4.358
  273   2HB   ASN  36          1HB       ASN  36   5.019  -6.965   4.664
  274   1HD2  ASN  36          1HD2      ASN  36   7.436  -6.865   2.071
  275   2HD2  ASN  36          2HD2      ASN  36   7.868  -8.532   2.179
  276    H    GLN  37           H        GLN  37   2.821  -4.870   2.246
  277    HA   GLN  37           HA       GLN  37   1.351  -7.380   1.897
  278   1HB   GLN  37          2HB       GLN  37   1.102  -5.646   4.080
  279   2HB   GLN  37          1HB       GLN  37  -0.286  -5.298   3.063
  280   1HG   GLN  37          2HG       GLN  37  -0.968  -7.602   3.122
  281   2HG   GLN  37          1HG       GLN  37   0.502  -8.043   3.988
  282   1HE2  GLN  37          1HE2      GLN  37  -1.629  -8.882   5.181
  283   2HE2  GLN  37          2HE2      GLN  37  -2.084  -7.901   6.528
  284    H    LYS  38           H        LYS  38  -0.049  -7.397   0.207
  285    HA   LYS  38           HA       LYS  38  -0.190  -4.951  -1.407
  286   1HB   LYS  38          2HB       LYS  38  -1.248  -7.433  -2.581
  287   2HB   LYS  38          1HB       LYS  38  -0.163  -6.235  -3.267
  288   1HG   LYS  38          2HG       LYS  38   1.472  -7.403  -1.462
  289   2HG   LYS  38          1HG       LYS  38   0.428  -8.759  -1.887
  290   1HD   LYS  38          2HD       LYS  38   1.349  -7.178  -4.178
  291   2HD   LYS  38          1HD       LYS  38   2.642  -7.982  -3.285
  292   1HE   LYS  38          2HE       LYS  38   2.145  -9.834  -4.412
  293   2HE   LYS  38          1HE       LYS  38   0.635  -9.898  -3.506
  294   1HZ   LYS  38          1HZ       LYS  38   0.434  -9.976  -5.996
  295   2HZ   LYS  38          2HZ       LYS  38   0.923  -8.356  -6.018
  296   3HZ   LYS  38          3HZ       LYS  38  -0.505  -8.797  -5.227
  297    H    CYS  39           H        CYS  39  -2.175  -4.288  -2.350
  298    HA   CYS  39           HA       CYS  39  -4.470  -4.878  -0.656
  299   1HB   CYS  39          2HB       CYS  39  -3.891  -2.522  -1.068
  300   2HB   CYS  39          1HB       CYS  39  -4.125  -2.764  -2.793
  301    H    CYS  40           H        CYS  40  -5.479  -6.660  -1.282
  302    HA   CYS  40           HA       CYS  40  -5.913  -7.172  -4.126
  303   1HB   CYS  40          2HB       CYS  40  -5.737  -8.824  -1.681
  304   2HB   CYS  40          1HB       CYS  40  -6.908  -9.355  -2.878
  305    H    GLU  41           H        GLU  41  -8.062  -8.115  -4.716
  306    HA   GLU  41           HA       GLU  41 -10.123  -6.301  -4.100
  307   1HB   GLU  41          2HB       GLU  41  -9.688  -8.215  -6.039
  308   2HB   GLU  41          1HB       GLU  41 -11.034  -8.885  -5.129
  309   1HG   GLU  41          2HG       GLU  41 -11.845  -6.321  -5.421
  310   2HG   GLU  41          1HG       GLU  41 -10.925  -6.557  -6.907
  311    H    TYR  42           H        TYR  42 -10.088  -9.810  -3.443
  312    HA   TYR  42           HA       TYR  42 -11.825  -9.298  -1.126
  313   1HB   TYR  42          2HB       TYR  42 -12.162 -11.063  -3.226
  314   2HB   TYR  42          1HB       TYR  42 -11.533 -12.092  -1.945
  315    HD1  TYR  42           1HD      TYR  42 -14.451 -11.042  -3.394
  316    HD2  TYR  42           2HD      TYR  42 -12.698 -11.425   0.463
  317    HE1  TYR  42           1HE      TYR  42 -16.694 -11.148  -2.391
  318    HE2  TYR  42           2HE      TYR  42 -14.934 -11.532   1.477
  319    HH   TYR  42           HH       TYR  42 -17.624 -12.235  -0.071
  Start of MODEL    8
    1   1H    ILE   1          1HT       ILE   1   0.943  16.365  -1.042
    2   2H    ILE   1          2HT       ILE   1  -0.598  15.619  -0.929
    3   3H    ILE   1          3HT       ILE   1  -0.247  17.012   0.008
    4    HA   ILE   1           HA       ILE   1  -1.628  17.559  -1.829
    5    HB   ILE   1           HB       ILE   1   1.175  18.578  -2.295
    6   1HG1  ILE   1          2HG1      ILE   1  -0.015  20.443  -0.707
    7   2HG1  ILE   1          1HG1      ILE   1  -0.706  18.962  -0.050
    8   1HG2  ILE   1          1HG2      ILE   1  -0.464  20.687  -2.655
    9   2HG2  ILE   1          2HG2      ILE   1  -1.514  19.375  -3.191
   10   3HG2  ILE   1          3HG2      ILE   1   0.057  19.615  -3.955
   11   1HD1  ILE   1          1HD1      ILE   1   1.446  19.864   0.988
   12   2HD1  ILE   1          2HD1      ILE   1   2.244  19.251  -0.461
   13   3HD1  ILE   1          3HD1      ILE   1   1.372  18.145   0.599
   14    H    MED   2           H        DME   2   0.456  15.107  -2.515
   15    HA   MED   2           HA       DME   2   0.804  13.811  -4.349
   16   1HB   MED   2          1HB       DME   2   1.102  16.549  -5.586
   17   2HB   MED   2          2HB       DME   2   1.439  15.057  -6.455
   18   1HG   MED   2          1HG       DME   2   3.165  14.488  -4.843
   19   2HG   MED   2          2HG       DME   2   2.812  15.956  -3.933
   20   1HE   MED   2          1HE       DME   2   4.447  15.088  -7.855
   21   2HE   MED   2          2HE       DME   2   4.541  14.153  -6.363
   22   3HE   MED   2          3HE       DME   2   5.860  15.237  -6.809
   23    H    PHE   3           H        PHE   3   0.063  13.615  -6.827
   24    HA   PHE   3           HA       PHE   3  -2.860  13.955  -6.781
   25   1HB   PHE   3          2HB       PHE   3  -1.652  15.557  -8.345
   26   2HB   PHE   3          1HB       PHE   3  -1.198  14.145  -9.293
   27    HD1  PHE   3           1HD      PHE   3  -2.648  13.277 -10.893
   28    HD2  PHE   3           2HD      PHE   3  -4.132  15.988  -7.967
   29    HE1  PHE   3           1HE      PHE   3  -4.791  13.396 -12.096
   30    HE2  PHE   3           2HE      PHE   3  -6.279  16.110  -9.164
   31    HZ   PHE   3           HZ       PHE   3  -6.610  14.813 -11.232
   32    H    PHE   4           H        PHE   4  -0.178  12.223  -8.357
   33    HA   PHE   4           HA       PHE   4  -1.956   9.924  -8.755
   34   1HB   PHE   4          2HB       PHE   4   0.770  10.528  -9.921
   35   2HB   PHE   4          1HB       PHE   4  -0.173   9.082 -10.266
   36    HD1  PHE   4           1HD      PHE   4  -2.678   9.640 -11.039
   37    HD2  PHE   4           2HD      PHE   4   0.681  12.220 -11.455
   38    HE1  PHE   4           1HE      PHE   4  -3.816  10.819 -12.876
   39    HE2  PHE   4           2HE      PHE   4  -0.451  13.404 -13.292
   40    HZ   PHE   4           HZ       PHE   4  -2.702  12.704 -14.004
   41    H    GLU   5           H        GLU   5  -1.468  10.093  -6.183
   42    HA   GLU   5           HA       GLU   5   0.828   8.353  -5.605
   43   1HB   GLU   5          2HB       GLU   5  -0.667  10.390  -4.018
   44   2HB   GLU   5          1HB       GLU   5   0.077   9.048  -3.160
   45   1HG   GLU   5          2HG       GLU   5   2.236   9.643  -4.255
   46   2HG   GLU   5          1HG       GLU   5   1.445  11.082  -4.900
   47    H    MET   6           H        MET   6  -1.435   7.218  -6.798
   48    HA   MET   6           HA       MET   6  -2.954   5.535  -6.586
   49   1HB   MET   6          2HB       MET   6  -0.652   4.887  -5.015
   50   2HB   MET   6          1HB       MET   6  -2.080   4.247  -4.215
   51   1HG   MET   6          2HG       MET   6  -2.652   3.379  -6.620
   52   2HG   MET   6          1HG       MET   6  -0.916   3.557  -6.862
   53   1HE   MET   6          1HE       MET   6  -0.290   0.598  -7.004
   54   2HE   MET   6          2HE       MET   6  -1.876   1.152  -7.542
   55   3HE   MET   6          3HE       MET   6  -1.746  -0.231  -6.455
   56    H    GLN   7           H        GLN   7  -4.083   4.205  -4.470
   57    HA   GLN   7           HA       GLN   7  -5.292   6.328  -2.831
   58   1HB   GLN   7          2HB       GLN   7  -6.625   4.322  -4.594
   59   2HB   GLN   7          1HB       GLN   7  -7.423   4.781  -3.096
   60   1HG   GLN   7          2HG       GLN   7  -7.322   7.138  -3.794
   61   2HG   GLN   7          1HG       GLN   7  -6.595   6.634  -5.319
   62   1HE2  GLN   7          1HE2      GLN   7  -9.403   5.859  -3.290
   63   2HE2  GLN   7          2HE2      GLN   7 -10.529   5.742  -4.596
   64    H    ALA   8           H        ALA   8  -6.750   5.217  -1.078
   65    HA   ALA   8           HA       ALA   8  -4.994   3.401   0.356
   66   1HB   ALA   8          1HB       ALA   8  -7.090   3.805   2.032
   67   2HB   ALA   8          2HB       ALA   8  -7.137   5.278   1.065
   68   3HB   ALA   8          3HB       ALA   8  -5.669   4.844   1.941
   69    H    CYS   9           H        CYS   9  -5.404   1.307   0.814
   70    HA   CYS   9           HA       CYS   9  -7.178  -0.173  -0.762
   71   1HB   CYS   9          2HB       CYS   9  -5.073  -0.920   0.565
   72   2HB   CYS   9          1HB       CYS   9  -6.198  -1.177   1.892
   73    H    TRP  10           H        TRP  10  -7.637   1.434   2.266
   74    HA   TRP  10           HA       TRP  10 -10.078  -0.008   2.881
   75   1HB   TRP  10          2HB       TRP  10  -9.997   2.254   4.523
   76   2HB   TRP  10          1HB       TRP  10  -9.510   0.632   4.960
   77    HD1  TRP  10           HD       TRP  10  -6.754   0.109   4.470
   78    HE1  TRP  10           1HE      TRP  10  -4.775   1.716   4.866
   79    HE3  TRP  10           3HE      TRP  10  -9.323   4.479   4.580
   80    HZ2  TRP  10           2HZ      TRP  10  -4.375   4.507   5.183
   81    HZ3  TRP  10           3HZ      TRP  10  -8.095   6.593   4.931
   82    HH2  TRP  10           HH       TRP  10  -5.667   6.601   5.229
   83    H    SER  11           H        SER  11  -9.106   3.134   1.637
   84    HA   SER  11           HA       SER  11 -11.591   4.410   1.672
   85   1HB   SER  11          2HB       SER  11  -9.117   5.194   0.974
   86   2HB   SER  11          1HB       SER  11  -9.798   4.954  -0.634
   87    HG   SER  11           HG       SER  11 -10.299   6.915   1.196
   88    H    HIS  12           H        HIS  12 -10.292   1.993  -0.474
   89    HA   HIS  12           HA       HIS  12 -12.597   2.290  -2.269
   90   1HB   HIS  12          2HB       HIS  12  -9.966   1.992  -2.891
   91   2HB   HIS  12          1HB       HIS  12 -10.510   0.320  -2.953
   92    HD1  HIS  12           1HD      HIS  12 -13.448   1.658  -3.967
   93    HD2  HIS  12           2HD      HIS  12  -9.698   1.676  -5.760
   94    HE1  HIS  12           1HE      HIS  12 -13.875   2.040  -6.414
   95    HE2  HIS  12           2HE      HIS  12 -11.588   2.134  -7.467
   96    H    SER  13           H        SER  13 -11.822   0.602   0.443
   97    HA   SER  13           HA       SER  13 -12.691  -1.234   1.462
   98   1HB   SER  13          2HB       SER  13 -14.676  -0.608  -0.646
   99   2HB   SER  13          1HB       SER  13 -14.754  -2.236   0.024
  100    HG   SER  13           HG       SER  13 -15.047   0.239   1.346
  101    H    GLY  14           H        GLY  14 -10.712  -2.344   0.985
  102   1HA   GLY  14          2HA       GLY  14 -11.152  -4.607  -0.844
  103   2HA   GLY  14          1HA       GLY  14  -9.660  -3.685  -0.959
  104    H    VAL  15           H        VAL  15  -8.357  -5.452  -0.435
  105    HA   VAL  15           HA       VAL  15  -8.342  -6.097   2.424
  106    HB   VAL  15           HB       VAL  15  -7.965  -8.230   0.322
  107   1HG1  VAL  15          1HG1      VAL  15  -8.381  -9.694   2.363
  108   2HG1  VAL  15          2HG1      VAL  15  -8.128  -8.236   3.323
  109   3HG1  VAL  15          3HG1      VAL  15  -6.836  -8.848   2.288
  110   1HG2  VAL  15          1HG2      VAL  15 -10.167  -9.022   0.753
  111   2HG2  VAL  15          2HG2      VAL  15 -10.300  -7.303   0.380
  112   3HG2  VAL  15          3HG2      VAL  15 -10.401  -7.854   2.053
  113    H    CYS  16           H        CYS  16  -6.271  -7.018   3.140
  114    HA   CYS  16           HA       CYS  16  -4.040  -6.289   1.363
  115   1HB   CYS  16          2HB       CYS  16  -4.261  -5.774   4.335
  116   2HB   CYS  16          1HB       CYS  16  -2.797  -5.537   3.386
  117    H    ARG  17           H        ARG  17  -3.118  -8.143   0.793
  118    HA   ARG  17           HA       ARG  17  -2.691 -10.184   2.880
  119   1HB   ARG  17          2HB       ARG  17  -2.800 -10.782  -0.067
  120   2HB   ARG  17          1HB       ARG  17  -2.955 -11.900   1.281
  121   1HG   ARG  17          2HG       ARG  17  -5.016  -9.930   1.458
  122   2HG   ARG  17          1HG       ARG  17  -5.000 -10.618  -0.166
  123   1HD   ARG  17          2HD       ARG  17  -4.732 -12.863   1.289
  124   2HD   ARG  17          1HD       ARG  17  -5.644 -11.875   2.429
  125    HE   ARG  17           HE       ARG  17  -6.866 -11.726  -0.095
  126   1HH1  ARG  17          1HH1      ARG  17  -6.345 -14.004   2.498
  127   2HH1  ARG  17          2HH1      ARG  17  -7.788 -14.901   2.166
  128   1HH2  ARG  17          1HH2      ARG  17  -8.764 -12.905  -0.532
  129   2HH2  ARG  17          2HH2      ARG  17  -9.161 -14.279   0.446
  130    H    ASP  18           H        ASP  18  -0.774 -11.577   2.517
  131    HA   ASP  18           HA       ASP  18   1.550 -10.020   2.238
  132   1HB   ASP  18          2HB       ASP  18   1.021 -12.403   3.395
  133   2HB   ASP  18          1HB       ASP  18   1.807 -12.955   1.918
  134    H    LYS  19           H        LYS  19   2.842  -9.614   0.572
  135    HA   LYS  19           HA       LYS  19   2.007  -9.882  -2.059
  136   1HB   LYS  19          2HB       LYS  19   4.323  -9.252  -2.677
  137   2HB   LYS  19          1HB       LYS  19   3.638  -8.220  -1.430
  138   1HG   LYS  19          2HG       LYS  19   5.123  -8.885   0.130
  139   2HG   LYS  19          1HG       LYS  19   5.182 -10.542  -0.477
  140   1HD   LYS  19          2HD       LYS  19   6.375  -8.298  -2.061
  141   2HD   LYS  19          1HD       LYS  19   7.270  -9.027  -0.727
  142   1HE   LYS  19          2HE       LYS  19   6.605 -11.264  -1.935
  143   2HE   LYS  19          1HE       LYS  19   6.444 -10.208  -3.336
  144   1HZ   LYS  19          1HZ       LYS  19   8.656  -9.861  -3.441
  145   2HZ   LYS  19          2HZ       LYS  19   8.725 -11.353  -2.648
  146   3HZ   LYS  19          3HZ       LYS  19   8.877  -9.918  -1.765
  147    H    SER  20           H        SER  20   3.611 -12.180  -0.048
  148    HA   SER  20           HA       SER  20   4.490 -13.790  -2.308
  149   1HB   SER  20          2HB       SER  20   5.371 -13.464   0.347
  150   2HB   SER  20          1HB       SER  20   4.772 -15.117   0.234
  151    HG   SER  20           HG       SER  20   6.846 -13.873  -1.204
  152    H    GLU  21           H        GLU  21   1.577 -13.307  -1.536
  153    HA   GLU  21           HA       GLU  21   0.645 -15.911  -0.790
  154   1HB   GLU  21          2HB       GLU  21  -0.550 -14.056   0.106
  155   2HB   GLU  21          1HB       GLU  21  -0.720 -13.310  -1.477
  156   1HG   GLU  21          2HG       GLU  21  -2.422 -14.666  -2.087
  157   2HG   GLU  21          1HG       GLU  21  -1.845 -15.997  -1.090
  158    H    ARG  22           H        ARG  22  -0.093 -17.406  -2.121
  159    HA   ARG  22           HA       ARG  22   0.253 -17.031  -4.970
  160   1HB   ARG  22          2HB       ARG  22   0.244 -19.259  -3.111
  161   2HB   ARG  22          1HB       ARG  22  -0.702 -19.606  -4.549
  162   1HG   ARG  22          2HG       ARG  22   1.705 -18.388  -5.393
  163   2HG   ARG  22          1HG       ARG  22   2.119 -19.634  -4.215
  164   1HD   ARG  22          2HD       ARG  22   0.098 -20.458  -6.166
  165   2HD   ARG  22          1HD       ARG  22   1.658 -20.056  -6.878
  166    HE   ARG  22           HE       ARG  22   2.624 -21.849  -5.753
  167   1HH1  ARG  22          1HH1      ARG  22  -0.747 -21.519  -4.886
  168   2HH1  ARG  22          2HH1      ARG  22  -0.838 -23.087  -4.161
  169   1HH2  ARG  22          1HH2      ARG  22   2.496 -23.908  -4.798
  170   2HH2  ARG  22          2HH2      ARG  22   0.999 -24.441  -4.110
  171    H    ASN  23           H        ASN  23  -2.306 -16.708  -2.817
  172    HA   ASN  23           HA       ASN  23  -4.238 -17.054  -5.011
  173   1HB   ASN  23          2HB       ASN  23  -4.238 -18.649  -2.844
  174   2HB   ASN  23          1HB       ASN  23  -5.226 -17.329  -2.227
  175   1HD2  ASN  23          1HD2      ASN  23  -7.312 -17.490  -2.581
  176   2HD2  ASN  23          2HD2      ASN  23  -8.067 -18.403  -3.837
  177    H    CYS  24           H        CYS  24  -3.469 -14.722  -5.228
  178    HA   CYS  24           HA       CYS  24  -5.338 -13.026  -3.727
  179   1HB   CYS  24          2HB       CYS  24  -2.737 -12.976  -3.082
  180   2HB   CYS  24          1HB       CYS  24  -2.705 -11.839  -4.425
  181    H    LYS  25           H        LYS  25  -6.148 -11.251  -4.845
  182    HA   LYS  25           HA       LYS  25  -5.683 -11.310  -7.750
  183   1HB   LYS  25          2HB       LYS  25  -8.076 -10.994  -6.084
  184   2HB   LYS  25          1HB       LYS  25  -7.957  -9.803  -7.371
  185   1HG   LYS  25          2HG       LYS  25  -7.357 -12.089  -8.709
  186   2HG   LYS  25          1HG       LYS  25  -8.505 -12.676  -7.503
  187   1HD   LYS  25          2HD       LYS  25  -9.936 -10.646  -8.232
  188   2HD   LYS  25          1HD       LYS  25  -8.904 -10.636  -9.662
  189   1HE   LYS  25          2HE       LYS  25  -9.786 -12.559 -10.477
  190   2HE   LYS  25          1HE       LYS  25 -10.039 -13.248  -8.874
  191   1HZ   LYS  25          1HZ       LYS  25 -12.179 -12.837  -9.404
  192   2HZ   LYS  25          2HZ       LYS  25 -11.809 -11.587 -10.481
  193   3HZ   LYS  25          3HZ       LYS  25 -11.815 -11.293  -8.816
  194    HA   PRO  26           HA       PRO  26  -3.292  -7.550  -6.593
  195   1HB   PRO  26          2HB       PRO  26  -3.156  -7.689  -9.580
  196   2HB   PRO  26          1HB       PRO  26  -1.886  -7.292  -8.416
  197   1HG   PRO  26          2HG       PRO  26  -1.998  -9.705  -9.540
  198   2HG   PRO  26          1HG       PRO  26  -1.534  -9.506  -7.840
  199   1HD   PRO  26          2HD       PRO  26  -4.055 -10.554  -9.003
  200   2HD   PRO  26          1HD       PRO  26  -3.285 -10.923  -7.447
  201    H    MET  27           H        MET  27  -4.462  -5.812  -6.113
  202    HA   MET  27           HA       MET  27  -6.337  -4.769  -8.134
  203   1HB   MET  27          2HB       MET  27  -6.679  -5.330  -5.324
  204   2HB   MET  27          1HB       MET  27  -6.966  -3.624  -5.640
  205   1HG   MET  27          2HG       MET  27  -8.289  -5.040  -7.673
  206   2HG   MET  27          1HG       MET  27  -8.646  -5.877  -6.164
  207   1HE   MET  27          1HE       MET  27  -9.415  -2.650  -4.043
  208   2HE   MET  27          2HE       MET  27  -8.534  -4.177  -4.093
  209   3HE   MET  27          3HE       MET  27 -10.293  -4.177  -3.983
  210    H    ALA  28           H        ALA  28  -4.838  -3.450  -9.163
  211    HA   ALA  28           HA       ALA  28  -3.020  -1.733  -7.904
  212   1HB   ALA  28          1HB       ALA  28  -3.349  -2.462 -10.425
  213   2HB   ALA  28          2HB       ALA  28  -2.517  -0.968  -9.994
  214   3HB   ALA  28          3HB       ALA  28  -4.204  -0.921 -10.505
  215    H    TRP  29           H        TRP  29  -3.460   0.789  -8.979
  216    HA   TRP  29           HA       TRP  29  -4.287   2.790  -8.313
  217   1HB   TRP  29          2HB       TRP  29  -7.050   1.681  -8.405
  218   2HB   TRP  29          1HB       TRP  29  -6.414   3.182  -9.062
  219    HD1  TRP  29           HD       TRP  29  -7.791   0.109 -10.269
  220    HE1  TRP  29           1HE      TRP  29  -6.991  -0.452 -12.650
  221    HE3  TRP  29           3HE      TRP  29  -3.817   3.310 -10.567
  222    HZ2  TRP  29           2HZ      TRP  29  -4.946   0.355 -14.421
  223    HZ3  TRP  29           3HZ      TRP  29  -2.490   3.354 -12.638
  224    HH2  TRP  29           HH       TRP  29  -3.044   1.906 -14.525
  225    H    THR  30           H        THR  30  -3.761   0.817  -6.166
  226    HA   THR  30           HA       THR  30  -4.594   2.296  -3.971
  227    HB   THR  30           HB       THR  30  -6.853   1.566  -4.403
  228    HG1  THR  30           1HG      THR  30  -5.981   1.510  -2.194
  229   1HG2  THR  30          1HG2      THR  30  -5.607  -1.074  -4.796
  230   2HG2  THR  30          2HG2      THR  30  -7.012  -0.348  -5.576
  231   3HG2  THR  30          3HG2      THR  30  -7.160  -1.045  -3.963
  232    H    TYR  31           H        TYR  31  -3.593   1.633  -2.113
  233    HA   TYR  31           HA       TYR  31  -2.363  -1.023  -2.065
  234   1HB   TYR  31          2HB       TYR  31  -0.191  -0.092  -1.404
  235   2HB   TYR  31          1HB       TYR  31  -0.664   0.478  -3.002
  236    HD1  TYR  31           1HD      TYR  31  -2.088   2.772  -2.889
  237    HD2  TYR  31           2HD      TYR  31   0.741   1.468   0.007
  238    HE1  TYR  31           1HE      TYR  31  -1.775   5.099  -2.157
  239    HE2  TYR  31           2HE      TYR  31   1.063   3.790   0.749
  240    HH   TYR  31           HH       TYR  31   0.035   6.440  -1.007
  241    H    CYS  32           H        CYS  32  -1.122  -1.219   0.161
  242    HA   CYS  32           HA       CYS  32  -3.066  -0.434   2.211
  243   1HB   CYS  32          2HB       CYS  32  -2.064  -2.881   1.691
  244   2HB   CYS  32          1HB       CYS  32  -0.878  -2.328   2.867
  245    H    GLU  33           H        GLU  33  -1.776  -0.433   4.498
  246    HA   GLU  33           HA       GLU  33  -0.134   1.931   4.344
  247   1HB   GLU  33          2HB       GLU  33  -1.365   0.339   6.558
  248   2HB   GLU  33          1HB       GLU  33  -0.075   1.474   6.928
  249   1HG   GLU  33          2HG       GLU  33  -2.003   2.738   5.238
  250   2HG   GLU  33          1HG       GLU  33  -2.815   2.000   6.617
  251    H    ASN  34           H        ASN  34   0.435  -1.418   4.363
  252    HA   ASN  34           HA       ASN  34   3.111  -1.144   5.504
  253   1HB   ASN  34          2HB       ASN  34   1.393  -3.092   5.947
  254   2HB   ASN  34          1HB       ASN  34   2.043  -3.730   4.440
  255   1HD2  ASN  34          1HD2      ASN  34   3.435  -2.086   7.262
  256   2HD2  ASN  34          2HD2      ASN  34   4.657  -3.270   7.560
  257    H    ARG  35           H        ARG  35   4.989  -1.667   4.365
  258    HA   ARG  35           HA       ARG  35   4.786  -1.250   1.493
  259   1HB   ARG  35          2HB       ARG  35   6.655  -0.540   3.495
  260   2HB   ARG  35          1HB       ARG  35   7.489  -1.615   2.383
  261   1HG   ARG  35          2HG       ARG  35   5.903   0.387   1.002
  262   2HG   ARG  35          1HG       ARG  35   7.114   1.097   2.071
  263   1HD   ARG  35          2HD       ARG  35   8.521   0.796   0.355
  264   2HD   ARG  35          1HD       ARG  35   8.535  -0.892   0.859
  265    HE   ARG  35           HE       ARG  35   6.415  -0.765  -0.816
  266   1HH1  ARG  35          1HH1      ARG  35   9.756   0.204  -1.115
  267   2HH1  ARG  35          2HH1      ARG  35   9.811  -0.066  -2.825
  268   1HH2  ARG  35          1HH2      ARG  35   6.487  -1.120  -3.065
  269   2HH2  ARG  35          2HH2      ARG  35   7.955  -0.817  -3.932
  270    H    ASN  36           H        ASN  36   4.309  -3.893   3.127
  271    HA   ASN  36           HA       ASN  36   5.867  -5.576   1.280
  272   1HB   ASN  36          2HB       ASN  36   6.493  -5.561   3.838
  273   2HB   ASN  36          1HB       ASN  36   5.084  -6.611   3.976
  274   1HD2  ASN  36          1HD2      ASN  36   7.719  -6.277   1.620
  275   2HD2  ASN  36          2HD2      ASN  36   8.185  -7.941   1.652
  276    H    GLN  37           H        GLN  37   2.829  -4.756   2.602
  277    HA   GLN  37           HA       GLN  37   1.581  -7.216   1.630
  278   1HB   GLN  37          2HB       GLN  37   1.166  -5.826   3.926
  279   2HB   GLN  37          1HB       GLN  37  -0.083  -5.136   2.901
  280   1HG   GLN  37          2HG       GLN  37  -1.000  -7.341   2.491
  281   2HG   GLN  37          1HG       GLN  37   0.297  -8.074   3.432
  282   1HE2  GLN  37          1HE2      GLN  37  -1.408  -9.015   4.701
  283   2HE2  GLN  37          2HE2      GLN  37  -2.162  -8.091   5.951
  284    H    LYS  38           H        LYS  38  -0.029  -7.199   0.060
  285    HA   LYS  38           HA       LYS  38  -0.141  -4.748  -1.558
  286   1HB   LYS  38          2HB       LYS  38  -1.194  -7.122  -2.864
  287   2HB   LYS  38          1HB       LYS  38   0.045  -6.004  -3.404
  288   1HG   LYS  38          2HG       LYS  38   1.485  -7.336  -1.612
  289   2HG   LYS  38          1HG       LYS  38   0.303  -8.590  -1.989
  290   1HD   LYS  38          2HD       LYS  38   1.407  -7.203  -4.330
  291   2HD   LYS  38          1HD       LYS  38   2.586  -8.130  -3.400
  292   1HE   LYS  38          2HE       LYS  38   1.753 -10.083  -4.099
  293   2HE   LYS  38          1HE       LYS  38   0.091  -9.572  -3.807
  294   1HZ   LYS  38          1HZ       LYS  38  -0.170  -8.890  -5.930
  295   2HZ   LYS  38          2HZ       LYS  38   1.036 -10.040  -6.223
  296   3HZ   LYS  38          3HZ       LYS  38   1.440  -8.401  -6.110
  297    H    CYS  39           H        CYS  39  -2.140  -4.173  -2.571
  298    HA   CYS  39           HA       CYS  39  -4.438  -4.787  -0.883
  299   1HB   CYS  39          2HB       CYS  39  -3.881  -2.418  -1.301
  300   2HB   CYS  39          1HB       CYS  39  -4.123  -2.673  -3.023
  301    H    CYS  40           H        CYS  40  -5.423  -6.575  -1.518
  302    HA   CYS  40           HA       CYS  40  -5.794  -7.109  -4.367
  303   1HB   CYS  40          2HB       CYS  40  -5.680  -8.742  -1.897
  304   2HB   CYS  40          1HB       CYS  40  -6.765  -9.304  -3.157
  305    H    GLU  41           H        GLU  41  -7.920  -8.083  -4.993
  306    HA   GLU  41           HA       GLU  41 -10.020  -6.296  -4.412
  307   1HB   GLU  41          2HB       GLU  41  -9.512  -8.268  -6.317
  308   2HB   GLU  41          1HB       GLU  41 -10.938  -8.845  -5.465
  309   1HG   GLU  41          2HG       GLU  41 -10.796  -6.029  -6.458
  310   2HG   GLU  41          1HG       GLU  41 -11.224  -7.350  -7.545
  311    H    TYR  42           H        TYR  42 -10.089  -9.819  -3.872
  312    HA   TYR  42           HA       TYR  42 -11.503  -9.312  -1.337
  313   1HB   TYR  42          2HB       TYR  42 -12.356 -10.826  -3.661
  314   2HB   TYR  42          1HB       TYR  42 -12.321 -11.835  -2.219
  315    HD1  TYR  42           1HD      TYR  42 -14.245  -9.565  -4.097
  316    HD2  TYR  42           2HD      TYR  42 -13.466 -10.784  -0.096
  317    HE1  TYR  42           1HE      TYR  42 -16.406  -8.623  -3.395
  318    HE2  TYR  42           2HE      TYR  42 -15.624  -9.847   0.616
  319    HH   TYR  42           HH       TYR  42 -18.058  -9.272  -1.164
  Start of MODEL    9
    1   1H    ILE   1          1HT       ILE   1  -8.842   9.313 -13.820
    2   2H    ILE   1          2HT       ILE   1  -8.018  10.500 -12.894
    3   3H    ILE   1          3HT       ILE   1  -7.144   9.208 -13.608
    4    HA   ILE   1           HA       ILE   1  -7.270  10.046 -15.671
    5    HB   ILE   1           HB       ILE   1  -8.890  11.828 -16.319
    6   1HG1  ILE   1          2HG1      ILE   1 -10.812  11.345 -14.229
    7   2HG1  ILE   1          1HG1      ILE   1  -9.316  11.952 -13.527
    8   1HG2  ILE   1          1HG2      ILE   1 -10.407  10.284 -16.957
    9   2HG2  ILE   1          2HG2      ILE   1 -10.615   9.652 -15.324
   10   3HG2  ILE   1          3HG2      ILE   1  -9.221   9.164 -16.287
   11   1HD1  ILE   1          1HD1      ILE   1  -9.650  13.633 -15.636
   12   2HD1  ILE   1          2HD1      ILE   1 -10.175  13.958 -13.984
   13   3HD1  ILE   1          3HD1      ILE   1 -11.317  13.311 -15.162
   14    H    MED   2           H        DME   2  -5.352  11.038 -15.634
   15    HA   MED   2           HA       DME   2  -4.959  13.419 -14.003
   16   1HB   MED   2          1HB       DME   2  -5.809  13.971 -16.413
   17   2HB   MED   2          2HB       DME   2  -4.164  13.572 -16.889
   18   1HG   MED   2          1HG       DME   2  -3.310  15.454 -16.014
   19   2HG   MED   2          2HG       DME   2  -4.398  15.432 -14.628
   20   1HE   MED   2          1HE       DME   2  -4.498  17.626 -14.493
   21   2HE   MED   2          2HE       DME   2  -6.149  18.139 -14.838
   22   3HE   MED   2          3HE       DME   2  -4.806  18.813 -15.761
   23    H    PHE   3           H        PHE   3  -3.422  12.345 -12.808
   24    HA   PHE   3           HA       PHE   3  -1.002  11.508 -14.269
   25   1HB   PHE   3          2HB       PHE   3  -1.149  12.836 -11.553
   26   2HB   PHE   3          1HB       PHE   3   0.324  12.304 -12.359
   27    HD1  PHE   3           1HD      PHE   3   1.442  13.706 -13.849
   28    HD2  PHE   3           2HD      PHE   3  -2.541  14.636 -12.671
   29    HE1  PHE   3           1HE      PHE   3   1.631  15.897 -14.953
   30    HE2  PHE   3           2HE      PHE   3  -2.359  16.828 -13.774
   31    HZ   PHE   3           HZ       PHE   3  -0.272  17.461 -14.917
   32    H    PHE   4           H        PHE   4  -2.242  11.247 -10.935
   33    HA   PHE   4           HA       PHE   4  -1.983   8.328 -11.142
   34   1HB   PHE   4          2HB       PHE   4  -0.963  10.042  -8.867
   35   2HB   PHE   4          1HB       PHE   4  -1.048   8.284  -8.836
   36    HD1  PHE   4           1HD      PHE   4   0.745   7.026  -9.583
   37    HD2  PHE   4           2HD      PHE   4   0.429  11.104 -10.756
   38    HE1  PHE   4           1HE      PHE   4   2.977   6.899 -10.609
   39    HE2  PHE   4           2HE      PHE   4   2.660  10.985 -11.787
   40    HZ   PHE   4           HZ       PHE   4   3.937   8.880 -11.714
   41    H    GLU   5           H        GLU   5  -3.929   7.498 -10.809
   42    HA   GLU   5           HA       GLU   5  -5.814   8.904  -9.061
   43   1HB   GLU   5          2HB       GLU   5  -6.383   8.168 -11.459
   44   2HB   GLU   5          1HB       GLU   5  -6.460   6.537 -10.806
   45   1HG   GLU   5          2HG       GLU   5  -8.086   7.618  -9.075
   46   2HG   GLU   5          1HG       GLU   5  -8.252   8.863 -10.312
   47    H    MET   6           H        MET   6  -3.757   7.621  -7.733
   48    HA   MET   6           HA       MET   6  -4.620   5.006  -6.880
   49   1HB   MET   6          2HB       MET   6  -2.361   6.837  -6.159
   50   2HB   MET   6          1HB       MET   6  -2.747   5.479  -5.112
   51   1HG   MET   6          2HG       MET   6  -2.680   4.247  -7.512
   52   2HG   MET   6          1HG       MET   6  -1.498   5.528  -7.768
   53   1HE   MET   6          1HE       MET   6  -1.105   2.713  -8.108
   54   2HE   MET   6          2HE       MET   6  -0.331   1.753  -6.847
   55   3HE   MET   6          3HE       MET   6   0.609   2.938  -7.754
   56    H    GLN   7           H        GLN   7  -5.103   4.476  -4.647
   57    HA   GLN   7           HA       GLN   7  -6.017   6.636  -2.933
   58   1HB   GLN   7          2HB       GLN   7  -7.825   4.836  -4.432
   59   2HB   GLN   7          1HB       GLN   7  -8.213   5.069  -2.733
   60   1HG   GLN   7          2HG       GLN   7  -7.746   7.626  -3.573
   61   2HG   GLN   7          1HG       GLN   7  -8.491   6.891  -4.992
   62   1HE2  GLN   7          1HE2      GLN   7 -10.438   7.880  -4.899
   63   2HE2  GLN   7          2HE2      GLN   7 -11.569   7.674  -3.609
   64    H    ALA   8           H        ALA   8  -7.319   5.340  -0.999
   65    HA   ALA   8           HA       ALA   8  -5.247   3.658   0.135
   66   1HB   ALA   8          1HB       ALA   8  -6.038   4.268   2.158
   67   2HB   ALA   8          2HB       ALA   8  -7.725   4.117   1.665
   68   3HB   ALA   8          3HB       ALA   8  -6.806   5.559   1.234
   69    H    CYS   9           H        CYS   9  -5.540   1.545   0.882
   70    HA   CYS   9           HA       CYS   9  -7.076  -0.151  -0.723
   71   1HB   CYS   9          2HB       CYS   9  -5.019  -0.687   0.740
   72   2HB   CYS   9          1HB       CYS   9  -6.176  -0.913   2.044
   73    H    TRP  10           H        TRP  10  -7.840   1.498   2.235
   74    HA   TRP  10           HA       TRP  10 -10.173  -0.093   2.804
   75   1HB   TRP  10          2HB       TRP  10 -10.469   2.319   4.184
   76   2HB   TRP  10          1HB       TRP  10  -9.833   0.824   4.827
   77    HD1  TRP  10           HD       TRP  10  -7.013   0.598   4.627
   78    HE1  TRP  10           1HE      TRP  10  -5.268   2.471   4.942
   79    HE3  TRP  10           3HE      TRP  10 -10.053   4.597   3.959
   80    HZ2  TRP  10           2HZ      TRP  10  -5.212   5.309   4.908
   81    HZ3  TRP  10           3HZ      TRP  10  -9.107   6.873   4.108
   82    HH2  TRP  10           HH       TRP  10  -6.730   7.218   4.576
   83    H    SER  11           H        SER  11  -9.499   3.060   1.369
   84    HA   SER  11           HA       SER  11 -12.164   3.895   1.047
   85   1HB   SER  11          2HB       SER  11  -9.912   5.200   0.755
   86   2HB   SER  11          1HB       SER  11 -10.035   4.662  -0.920
   87    HG   SER  11           HG       SER  11 -11.861   6.259   0.540
   88    H    HIS  12           H        HIS  12 -10.217   1.631  -0.704
   89    HA   HIS  12           HA       HIS  12 -12.136   1.552  -2.916
   90   1HB   HIS  12          2HB       HIS  12  -9.417   1.454  -2.957
   91   2HB   HIS  12          1HB       HIS  12  -9.812  -0.261  -2.986
   92    HD1  HIS  12           1HD      HIS  12  -9.258  -0.761  -5.387
   93    HD2  HIS  12           2HD      HIS  12 -11.841   2.468  -4.973
   94    HE1  HIS  12           1HE      HIS  12 -10.022  -0.209  -7.719
   95    HE2  HIS  12           2HE      HIS  12 -11.646   1.697  -7.435
   96    H    SER  13           H        SER  13 -11.844   0.157   0.039
   97    HA   SER  13           HA       SER  13 -12.732  -1.685   1.025
   98   1HB   SER  13          2HB       SER  13 -14.258  -1.640  -1.569
   99   2HB   SER  13          1HB       SER  13 -14.516  -2.920  -0.385
  100    HG   SER  13           HG       SER  13 -15.483  -0.429  -0.389
  101    H    GLY  14           H        GLY  14 -10.478  -2.496   0.810
  102   1HA   GLY  14          2HA       GLY  14 -10.511  -5.037  -0.663
  103   2HA   GLY  14          1HA       GLY  14  -9.146  -3.950  -0.872
  104    H    VAL  15           H        VAL  15  -7.935  -5.846  -0.091
  105    HA   VAL  15           HA       VAL  15  -7.698  -5.732   2.827
  106    HB   VAL  15           HB       VAL  15  -7.653  -8.350   1.327
  107   1HG1  VAL  15          1HG1      VAL  15  -6.408  -8.751   3.202
  108   2HG1  VAL  15          2HG1      VAL  15  -8.021  -9.079   3.833
  109   3HG1  VAL  15          3HG1      VAL  15  -7.246  -7.528   4.157
  110   1HG2  VAL  15          1HG2      VAL  15  -9.885  -6.844   2.535
  111   2HG2  VAL  15          2HG2      VAL  15  -9.807  -8.563   2.922
  112   3HG2  VAL  15          3HG2      VAL  15  -9.891  -8.040   1.239
  113    H    CYS  16           H        CYS  16  -5.633  -6.463   3.635
  114    HA   CYS  16           HA       CYS  16  -3.503  -6.178   1.626
  115   1HB   CYS  16          2HB       CYS  16  -3.580  -5.549   4.574
  116   2HB   CYS  16          1HB       CYS  16  -2.074  -5.629   3.667
  117    H    ARG  17           H        ARG  17  -3.046  -8.220   0.982
  118    HA   ARG  17           HA       ARG  17  -2.573 -10.247   3.058
  119   1HB   ARG  17          2HB       ARG  17  -2.808 -10.804   0.111
  120   2HB   ARG  17          1HB       ARG  17  -3.012 -11.921   1.453
  121   1HG   ARG  17          2HG       ARG  17  -5.046 -10.619   2.109
  122   2HG   ARG  17          1HG       ARG  17  -4.874  -9.718   0.602
  123   1HD   ARG  17          2HD       ARG  17  -5.878 -11.343  -0.531
  124   2HD   ARG  17          1HD       ARG  17  -4.714 -12.526   0.062
  125    HE   ARG  17           HE       ARG  17  -7.379 -12.039   1.069
  126   1HH1  ARG  17          1HH1      ARG  17  -4.255 -13.464   1.702
  127   2HH1  ARG  17          2HH1      ARG  17  -4.863 -14.570   2.886
  128   1HH2  ARG  17          1HH2      ARG  17  -8.177 -13.493   2.627
  129   2HH2  ARG  17          2HH2      ARG  17  -7.087 -14.587   3.412
  130    H    ASP  18           H        ASP  18  -0.796 -11.800   2.612
  131    HA   ASP  18           HA       ASP  18   1.659 -10.533   2.441
  132   1HB   ASP  18          2HB       ASP  18   0.918 -12.956   3.262
  133   2HB   ASP  18          1HB       ASP  18   1.496 -13.404   1.660
  134    H    LYS  19           H        LYS  19   3.099 -10.166   0.866
  135    HA   LYS  19           HA       LYS  19   2.201  -9.925  -1.798
  136   1HB   LYS  19          2HB       LYS  19   4.519  -9.282  -2.311
  137   2HB   LYS  19          1HB       LYS  19   3.912  -8.453  -0.884
  138   1HG   LYS  19          2HG       LYS  19   5.241  -9.701   0.561
  139   2HG   LYS  19          1HG       LYS  19   5.516 -10.969  -0.636
  140   1HD   LYS  19          2HD       LYS  19   6.442  -8.320  -1.473
  141   2HD   LYS  19          1HD       LYS  19   7.263  -8.946  -0.042
  142   1HE   LYS  19          2HE       LYS  19   8.452  -9.594  -2.059
  143   2HE   LYS  19          1HE       LYS  19   7.786 -11.011  -1.250
  144   1HZ   LYS  19          1HZ       LYS  19   5.856 -10.780  -2.840
  145   2HZ   LYS  19          2HZ       LYS  19   7.320 -11.289  -3.515
  146   3HZ   LYS  19          3HZ       LYS  19   6.810  -9.689  -3.712
  147    H    SER  20           H        SER  20   3.454 -12.596  -0.095
  148    HA   SER  20           HA       SER  20   4.252 -13.941  -2.581
  149   1HB   SER  20          2HB       SER  20   5.422 -13.851  -0.029
  150   2HB   SER  20          1HB       SER  20   4.776 -15.481  -0.199
  151    HG   SER  20           HG       SER  20   6.042 -15.813  -1.951
  152    H    GLU  21           H        GLU  21   1.455 -13.504  -1.546
  153    HA   GLU  21           HA       GLU  21   0.528 -16.100  -0.776
  154   1HB   GLU  21          2HB       GLU  21  -0.469 -13.578  -0.472
  155   2HB   GLU  21          1HB       GLU  21  -1.458 -14.185  -1.789
  156   1HG   GLU  21          2HG       GLU  21  -1.276 -16.190   0.224
  157   2HG   GLU  21          1HG       GLU  21  -1.725 -14.661   0.978
  158    H    ARG  22           H        ARG  22  -0.944 -17.327  -1.950
  159    HA   ARG  22           HA       ARG  22  -0.411 -17.337  -4.817
  160   1HB   ARG  22          2HB       ARG  22  -0.859 -19.363  -2.765
  161   2HB   ARG  22          1HB       ARG  22  -1.787 -19.652  -4.224
  162   1HG   ARG  22          2HG       ARG  22   0.858 -18.946  -4.976
  163   2HG   ARG  22          1HG       ARG  22   0.942 -20.190  -3.729
  164   1HD   ARG  22          2HD       ARG  22  -1.108 -20.791  -5.679
  165   2HD   ARG  22          1HD       ARG  22   0.460 -20.562  -6.449
  166    HE   ARG  22           HE       ARG  22   1.230 -22.474  -5.420
  167   1HH1  ARG  22          1HH1      ARG  22  -1.884 -21.605  -4.095
  168   2HH1  ARG  22          2HH1      ARG  22  -2.084 -23.108  -3.259
  169   1HH2  ARG  22          1HH2      ARG  22   0.963 -24.448  -4.321
  170   2HH2  ARG  22          2HH2      ARG  22  -0.469 -24.721  -3.387
  171    H    ASN  23           H        ASN  23  -2.863 -16.601  -2.589
  172    HA   ASN  23           HA       ASN  23  -4.866 -16.607  -4.750
  173   1HB   ASN  23          2HB       ASN  23  -5.137 -18.212  -2.677
  174   2HB   ASN  23          1HB       ASN  23  -5.692 -16.745  -1.877
  175   1HD2  ASN  23          1HD2      ASN  23  -7.206 -19.109  -2.430
  176   2HD2  ASN  23          2HD2      ASN  23  -8.515 -18.645  -3.457
  177    H    CYS  24           H        CYS  24  -3.684 -14.432  -4.986
  178    HA   CYS  24           HA       CYS  24  -5.246 -12.442  -3.498
  179   1HB   CYS  24          2HB       CYS  24  -2.737 -12.797  -2.754
  180   2HB   CYS  24          1HB       CYS  24  -2.405 -11.810  -4.174
  181    H    LYS  25           H        LYS  25  -6.273 -11.106  -4.812
  182    HA   LYS  25           HA       LYS  25  -5.428 -10.934  -7.613
  183   1HB   LYS  25          2HB       LYS  25  -8.018 -10.569  -6.178
  184   2HB   LYS  25          1HB       LYS  25  -7.765  -9.679  -7.673
  185   1HG   LYS  25          2HG       LYS  25  -7.979 -11.508  -8.949
  186   2HG   LYS  25          1HG       LYS  25  -7.082 -12.525  -7.820
  187   1HD   LYS  25          2HD       LYS  25  -8.950 -13.180  -6.721
  188   2HD   LYS  25          1HD       LYS  25  -9.741 -11.614  -6.915
  189   1HE   LYS  25          2HE       LYS  25 -10.518 -12.131  -9.044
  190   2HE   LYS  25          1HE       LYS  25  -9.333 -13.416  -9.270
  191   1HZ   LYS  25          1HZ       LYS  25 -10.661 -14.396  -7.214
  192   2HZ   LYS  25          2HZ       LYS  25 -11.132 -14.680  -8.813
  193   3HZ   LYS  25          3HZ       LYS  25 -11.907 -13.482  -7.905
  194    HA   PRO  26           HA       PRO  26  -3.664  -7.011  -5.912
  195   1HB   PRO  26          2HB       PRO  26  -2.192  -6.638  -8.254
  196   2HB   PRO  26          1HB       PRO  26  -1.602  -7.395  -6.774
  197   1HG   PRO  26          2HG       PRO  26  -2.636  -8.660  -9.268
  198   2HG   PRO  26          1HG       PRO  26  -1.312  -9.180  -8.207
  199   1HD   PRO  26          2HD       PRO  26  -3.695 -10.392  -8.149
  200   2HD   PRO  26          1HD       PRO  26  -2.763 -10.127  -6.659
  201    H    MET  27           H        MET  27  -4.800  -5.208  -6.073
  202    HA   MET  27           HA       MET  27  -6.090  -4.570  -8.643
  203   1HB   MET  27          2HB       MET  27  -7.031  -4.505  -5.881
  204   2HB   MET  27          1HB       MET  27  -7.312  -2.987  -6.723
  205   1HG   MET  27          2HG       MET  27  -8.041  -5.436  -8.190
  206   2HG   MET  27          1HG       MET  27  -9.011  -5.059  -6.767
  207   1HE   MET  27          1HE       MET  27 -10.824  -4.155  -6.808
  208   2HE   MET  27          2HE       MET  27 -11.610  -3.977  -8.376
  209   3HE   MET  27          3HE       MET  27 -11.228  -2.549  -7.414
  210    H    ALA  28           H        ALA  28  -5.528  -2.747  -9.662
  211    HA   ALA  28           HA       ALA  28  -3.373  -1.165  -8.666
  212   1HB   ALA  28          1HB       ALA  28  -4.802  -1.481 -11.170
  213   2HB   ALA  28          2HB       ALA  28  -3.130  -1.000 -10.875
  214   3HB   ALA  28          3HB       ALA  28  -4.416   0.206 -10.831
  215    H    TRP  29           H        TRP  29  -3.861   1.396  -9.334
  216    HA   TRP  29           HA       TRP  29  -4.539   3.317  -8.317
  217   1HB   TRP  29          2HB       TRP  29  -7.360   2.374  -8.470
  218   2HB   TRP  29          1HB       TRP  29  -6.658   3.915  -8.946
  219    HD1  TRP  29           HD       TRP  29  -7.640   0.555 -10.320
  220    HE1  TRP  29           1HE      TRP  29  -7.167   0.491 -12.850
  221    HE3  TRP  29           3HE      TRP  29  -4.930   4.870 -10.751
  222    HZ2  TRP  29           2HZ      TRP  29  -5.825   2.061 -14.773
  223    HZ3  TRP  29           3HZ      TRP  29  -4.088   5.517 -12.971
  224    HH2  TRP  29           HH       TRP  29  -4.526   4.140 -14.940
  225    H    THR  30           H        THR  30  -3.740   1.557  -6.383
  226    HA   THR  30           HA       THR  30  -4.943   2.588  -4.079
  227    HB   THR  30           HB       THR  30  -6.839   1.178  -4.602
  228    HG1  THR  30           1HG      THR  30  -5.986   1.298  -2.381
  229   1HG2  THR  30          1HG2      THR  30  -5.487  -1.382  -4.215
  230   2HG2  THR  30          2HG2      THR  30  -5.111  -0.576  -5.739
  231   3HG2  THR  30          3HG2      THR  30  -6.787  -0.933  -5.319
  232    H    TYR  31           H        TYR  31  -3.785   2.110  -2.237
  233    HA   TYR  31           HA       TYR  31  -1.566   0.197  -2.549
  234   1HB   TYR  31          2HB       TYR  31  -0.144   1.748  -1.246
  235   2HB   TYR  31          1HB       TYR  31  -0.676   2.451  -2.769
  236    HD1  TYR  31           1HD      TYR  31  -2.374   4.237  -2.787
  237    HD2  TYR  31           2HD      TYR  31  -0.833   2.672   0.858
  238    HE1  TYR  31           1HE      TYR  31  -3.262   6.187  -1.581
  239    HE2  TYR  31           2HE      TYR  31  -1.718   4.618   2.074
  240    HH   TYR  31           HH       TYR  31  -2.575   7.402   0.717
  241    H    CYS  32           H        CYS  32  -0.636  -0.505  -0.439
  242    HA   CYS  32           HA       CYS  32  -2.812  -0.928   1.478
  243   1HB   CYS  32          2HB       CYS  32  -0.565  -2.534   0.520
  244   2HB   CYS  32          1HB       CYS  32  -0.714  -2.547   2.274
  245    H    GLU  33           H        GLU  33  -1.830  -1.338   3.810
  246    HA   GLU  33           HA       GLU  33  -0.681   1.201   4.583
  247   1HB   GLU  33          2HB       GLU  33  -1.609  -1.149   6.242
  248   2HB   GLU  33          1HB       GLU  33  -1.077   0.394   6.895
  249   1HG   GLU  33          2HG       GLU  33  -2.922   1.531   5.876
  250   2HG   GLU  33          1HG       GLU  33  -3.406   0.069   5.018
  251    H    ASN  34           H        ASN  34   0.262  -2.184   4.501
  252    HA   ASN  34           HA       ASN  34   2.795  -1.609   5.813
  253   1HB   ASN  34          2HB       ASN  34   1.248  -3.794   5.941
  254   2HB   ASN  34          1HB       ASN  34   2.278  -4.271   4.594
  255   1HD2  ASN  34          1HD2      ASN  34   1.938  -4.637   7.757
  256   2HD2  ASN  34          2HD2      ASN  34   3.586  -4.805   8.248
  257    H    ARG  35           H        ARG  35   4.832  -1.983   4.851
  258    HA   ARG  35           HA       ARG  35   4.868  -1.384   2.006
  259   1HB   ARG  35          2HB       ARG  35   6.519  -0.755   4.246
  260   2HB   ARG  35          1HB       ARG  35   7.501  -1.602   3.059
  261   1HG   ARG  35          2HG       ARG  35   5.984   0.256   1.610
  262   2HG   ARG  35          1HG       ARG  35   6.556   1.105   3.048
  263   1HD   ARG  35          2HD       ARG  35   8.160   1.346   1.251
  264   2HD   ARG  35          1HD       ARG  35   8.848   0.370   2.547
  265    HE   ARG  35           HE       ARG  35   7.698  -1.373   0.707
  266   1HH1  ARG  35          1HH1      ARG  35  10.311   0.937   0.830
  267   2HH1  ARG  35          2HH1      ARG  35  11.265   0.109  -0.354
  268   1HH2  ARG  35          1HH2      ARG  35   8.951  -2.463  -0.850
  269   2HH2  ARG  35          2HH2      ARG  35  10.493  -1.821  -1.309
  270    H    ASN  36           H        ASN  36   4.373  -4.153   3.340
  271    HA   ASN  36           HA       ASN  36   6.085  -5.606   1.468
  272   1HB   ASN  36          2HB       ASN  36   6.887  -5.586   3.982
  273   2HB   ASN  36          1HB       ASN  36   5.619  -6.792   4.172
  274   1HD2  ASN  36          1HD2      ASN  36   7.981  -6.104   1.619
  275   2HD2  ASN  36          2HD2      ASN  36   8.648  -7.695   1.573
  276    H    GLN  37           H        GLN  37   3.164  -4.784   1.880
  277    HA   GLN  37           HA       GLN  37   2.022  -7.447   1.411
  278   1HB   GLN  37          2HB       GLN  37   1.463  -5.770   3.572
  279   2HB   GLN  37          1HB       GLN  37   0.106  -5.549   2.478
  280   1HG   GLN  37          2HG       GLN  37  -0.646  -7.664   2.762
  281   2HG   GLN  37          1HG       GLN  37   0.975  -8.320   2.985
  282   1HE2  GLN  37          1HE2      GLN  37   0.374  -9.499   4.792
  283   2HE2  GLN  37          2HE2      GLN  37   0.045  -8.754   6.316
  284    H    LYS  38           H        LYS  38  -0.145  -7.265   0.258
  285    HA   LYS  38           HA       LYS  38  -0.079  -5.044  -1.676
  286   1HB   LYS  38          2HB       LYS  38  -1.294  -7.218  -2.969
  287   2HB   LYS  38          1HB       LYS  38   0.270  -6.509  -3.315
  288   1HG   LYS  38          2HG       LYS  38   1.417  -8.181  -2.269
  289   2HG   LYS  38          1HG       LYS  38   0.107  -8.525  -1.141
  290   1HD   LYS  38          2HD       LYS  38  -0.378 -10.281  -2.425
  291   2HD   LYS  38          1HD       LYS  38  -0.984  -9.124  -3.611
  292   1HE   LYS  38          2HE       LYS  38   1.907  -9.438  -3.720
  293   2HE   LYS  38          1HE       LYS  38   1.049 -10.952  -3.997
  294   1HZ   LYS  38          1HZ       LYS  38  -0.161  -9.969  -5.780
  295   2HZ   LYS  38          2HZ       LYS  38   1.479  -9.642  -6.038
  296   3HZ   LYS  38          3HZ       LYS  38   0.458  -8.430  -5.444
  297    H    CYS  39           H        CYS  39  -2.040  -4.271  -2.433
  298    HA   CYS  39           HA       CYS  39  -4.311  -4.879  -0.704
  299   1HB   CYS  39          2HB       CYS  39  -3.715  -2.526  -0.981
  300   2HB   CYS  39          1HB       CYS  39  -3.927  -2.661  -2.721
  301    H    CYS  40           H        CYS  40  -5.242  -6.685  -1.430
  302    HA   CYS  40           HA       CYS  40  -5.843  -6.970  -4.268
  303   1HB   CYS  40          2HB       CYS  40  -5.676  -8.824  -1.927
  304   2HB   CYS  40          1HB       CYS  40  -6.607  -9.290  -3.335
  305    H    GLU  41           H        GLU  41  -7.991  -7.793  -4.872
  306    HA   GLU  41           HA       GLU  41 -10.052  -6.150  -3.924
  307   1HB   GLU  41          2HB       GLU  41  -9.702  -7.794  -6.094
  308   2HB   GLU  41          1HB       GLU  41 -10.941  -8.647  -5.185
  309   1HG   GLU  41          2HG       GLU  41 -11.884  -6.105  -5.101
  310   2HG   GLU  41          1HG       GLU  41 -11.086  -6.130  -6.674
  311    H    TYR  42           H        TYR  42  -9.770  -9.694  -3.578
  312    HA   TYR  42           HA       TYR  42 -11.285  -9.458  -1.061
  313   1HB   TYR  42          2HB       TYR  42 -11.766 -11.106  -3.406
  314   2HB   TYR  42          1HB       TYR  42 -11.609 -12.084  -1.951
  315    HD1  TYR  42           1HD      TYR  42 -14.000 -10.898  -3.945
  316    HD2  TYR  42           2HD      TYR  42 -12.834 -10.542   0.131
  317    HE1  TYR  42           1HE      TYR  42 -16.318 -10.349  -3.336
  318    HE2  TYR  42           2HE      TYR  42 -15.150  -9.993   0.752
  319    HH   TYR  42           HH       TYR  42 -17.370  -8.931  -1.180
  Start of MODEL   10
    1   1H    ILE   1          1HT       ILE   1  -0.354  13.209  -6.352
    2   2H    ILE   1          2HT       ILE   1  -1.526  12.827  -7.546
    3   3H    ILE   1          3HT       ILE   1  -1.796  14.129  -6.460
    4    HA   ILE   1           HA       ILE   1  -1.011  14.561  -8.841
    5    HB   ILE   1           HB       ILE   1   0.234  16.551  -8.045
    6   1HG1  ILE   1          2HG1      ILE   1  -0.105  16.552  -5.309
    7   2HG1  ILE   1          1HG1      ILE   1   0.418  14.902  -5.628
    8   1HG2  ILE   1          1HG2      ILE   1  -1.640  17.620  -7.245
    9   2HG2  ILE   1          2HG2      ILE   1  -2.121  16.253  -6.239
   10   3HG2  ILE   1          3HG2      ILE   1  -2.349  16.186  -7.987
   11   1HD1  ILE   1          1HD1      ILE   1   2.358  15.847  -6.879
   12   2HD1  ILE   1          2HD1      ILE   1   2.342  16.204  -5.152
   13   3HD1  ILE   1          3HD1      ILE   1   1.865  17.443  -6.313
   14    H    MED   2           H        DME   2   0.617  14.305 -10.239
   15    HA   MED   2           HA       DME   2   3.274  13.597  -9.218
   16   1HB   MED   2          1HB       DME   2   2.281  15.076 -11.544
   17   2HB   MED   2          2HB       DME   2   3.550  13.925 -11.938
   18   1HG   MED   2          1HG       DME   2   4.388  15.271  -9.618
   19   2HG   MED   2          2HG       DME   2   3.752  16.498 -10.710
   20   1HE   MED   2          1HE       DME   2   6.057  17.400 -10.308
   21   2HE   MED   2          2HE       DME   2   7.408  17.069 -11.391
   22   3HE   MED   2          3HE       DME   2   7.212  16.127  -9.914
   23    H    PHE   3           H        PHE   3   4.083  11.613  -9.454
   24    HA   PHE   3           HA       PHE   3   3.064   9.849 -11.537
   25   1HB   PHE   3          2HB       PHE   3   5.500   9.960  -9.851
   26   2HB   PHE   3          1HB       PHE   3   4.934   8.354 -10.299
   27    HD1  PHE   3           1HD      PHE   3   6.838  11.157 -11.305
   28    HD2  PHE   3           2HD      PHE   3   4.463   7.964 -12.812
   29    HE1  PHE   3           1HE      PHE   3   7.917  11.396 -13.503
   30    HE2  PHE   3           2HE      PHE   3   5.539   8.196 -15.013
   31    HZ   PHE   3           HZ       PHE   3   7.269   9.914 -15.359
   32    H    PHE   4           H        PHE   4   3.406   9.924  -8.007
   33    HA   PHE   4           HA       PHE   4   2.186   7.412  -7.547
   34   1HB   PHE   4          2HB       PHE   4   3.644   8.838  -5.957
   35   2HB   PHE   4          1HB       PHE   4   2.145   9.676  -5.567
   36    HD1  PHE   4           1HD      PHE   4   0.226   8.342  -4.633
   37    HD2  PHE   4           2HD      PHE   4   4.166   6.774  -4.988
   38    HE1  PHE   4           1HE      PHE   4  -0.328   6.590  -2.996
   39    HE2  PHE   4           2HE      PHE   4   3.619   5.019  -3.352
   40    HZ   PHE   4           HZ       PHE   4   1.370   4.926  -2.354
   41    H    GLU   5           H        GLU   5   0.301   7.419  -8.845
   42    HA   GLU   5           HA       GLU   5  -1.885   9.099  -7.802
   43   1HB   GLU   5          2HB       GLU   5  -1.015   9.067 -10.358
   44   2HB   GLU   5          1HB       GLU   5  -2.215   7.784 -10.434
   45   1HG   GLU   5          2HG       GLU   5  -3.086  10.250  -9.092
   46   2HG   GLU   5          1HG       GLU   5  -2.754  10.394 -10.818
   47    H    MET   6           H        MET   6  -2.242   7.530  -6.125
   48    HA   MET   6           HA       MET   6  -3.835   5.256  -7.080
   49   1HB   MET   6          2HB       MET   6  -1.897   5.105  -4.765
   50   2HB   MET   6          1HB       MET   6  -2.894   3.797  -5.387
   51   1HG   MET   6          2HG       MET   6  -1.620   4.243  -7.608
   52   2HG   MET   6          1HG       MET   6  -0.444   5.029  -6.556
   53   1HE   MET   6          1HE       MET   6   1.157   3.164  -7.821
   54   2HE   MET   6          2HE       MET   6  -0.197   2.278  -8.523
   55   3HE   MET   6          3HE       MET   6   1.000   1.429  -7.545
   56    H    GLN   7           H        GLN   7  -4.769   4.217  -4.812
   57    HA   GLN   7           HA       GLN   7  -5.883   6.451  -3.261
   58   1HB   GLN   7          2HB       GLN   7  -7.324   4.420  -4.875
   59   2HB   GLN   7          1HB       GLN   7  -8.009   4.808  -3.303
   60   1HG   GLN   7          2HG       GLN   7  -7.254   7.143  -4.892
   61   2HG   GLN   7          1HG       GLN   7  -8.518   6.147  -5.612
   62   1HE2  GLN   7          1HE2      GLN   7  -7.589   7.813  -2.643
   63   2HE2  GLN   7          2HE2      GLN   7  -9.200   8.153  -2.117
   64    H    ALA   8           H        ALA   8  -7.286   5.394  -1.382
   65    HA   ALA   8           HA       ALA   8  -5.408   3.839   0.155
   66   1HB   ALA   8          1HB       ALA   8  -6.365   5.277   1.607
   67   2HB   ALA   8          2HB       ALA   8  -7.562   3.992   1.763
   68   3HB   ALA   8          3HB       ALA   8  -7.873   5.363   0.698
   69    H    CYS   9           H        CYS   9  -5.551   1.736   0.746
   70    HA   CYS   9           HA       CYS   9  -6.986  -0.068  -0.835
   71   1HB   CYS   9          2HB       CYS   9  -4.892  -0.489   0.573
   72   2HB   CYS   9          1HB       CYS   9  -5.983  -0.699   1.935
   73    H    TRP  10           H        TRP  10  -7.810   1.526   2.144
   74    HA   TRP  10           HA       TRP  10 -10.107  -0.181   2.620
   75   1HB   TRP  10          2HB       TRP  10 -10.371   2.068   4.261
   76   2HB   TRP  10          1HB       TRP  10  -9.734   0.507   4.726
   77    HD1  TRP  10           HD       TRP  10  -6.912   0.295   4.394
   78    HE1  TRP  10           1HE      TRP  10  -5.151   2.109   4.902
   79    HE3  TRP  10           3HE      TRP  10  -9.952   4.351   4.356
   80    HZ2  TRP  10           2HZ      TRP  10  -5.081   4.926   5.242
   81    HZ3  TRP  10           3HZ      TRP  10  -8.990   6.586   4.777
   82    HH2  TRP  10           HH       TRP  10  -6.599   6.862   5.214
   83    H    SER  11           H        SER  11  -9.384   2.939   1.239
   84    HA   SER  11           HA       SER  11 -11.924   4.084   1.212
   85   1HB   SER  11          2HB       SER  11  -9.395   4.473  -0.232
   86   2HB   SER  11          1HB       SER  11 -10.822   4.966  -1.142
   87    HG   SER  11           HG       SER  11 -11.421   6.171   0.796
   88    H    HIS  12           H        HIS  12 -10.541   1.572  -0.771
   89    HA   HIS  12           HA       HIS  12 -12.954   1.550  -2.453
   90   1HB   HIS  12          2HB       HIS  12 -10.243   1.358  -3.126
   91   2HB   HIS  12          1HB       HIS  12 -10.874  -0.275  -3.316
   92    HD1  HIS  12           1HD      HIS  12 -13.780   1.000  -4.196
   93    HD2  HIS  12           2HD      HIS  12 -10.052   1.575  -5.940
   94    HE1  HIS  12           1HE      HIS  12 -14.248   1.691  -6.568
   95    HE2  HIS  12           2HE      HIS  12 -11.976   1.956  -7.627
   96    H    SER  13           H        SER  13 -12.224   0.293   0.343
   97    HA   SER  13           HA       SER  13 -12.773  -1.577   1.514
   98   1HB   SER  13          2HB       SER  13 -14.618  -2.131  -0.820
   99   2HB   SER  13          1HB       SER  13 -14.764  -2.780   0.813
  100    HG   SER  13           HG       SER  13 -15.661  -0.446  -0.160
  101    H    GLY  14           H        GLY  14 -10.561  -2.327   1.033
  102   1HA   GLY  14          2HA       GLY  14 -10.652  -4.816  -0.548
  103   2HA   GLY  14          1HA       GLY  14  -9.284  -3.718  -0.657
  104    H    VAL  15           H        VAL  15  -8.082  -5.677  -0.042
  105    HA   VAL  15           HA       VAL  15  -7.850  -5.821   2.876
  106    HB   VAL  15           HB       VAL  15  -7.777  -8.309   1.174
  107   1HG1  VAL  15          1HG1      VAL  15  -8.179  -9.308   3.518
  108   2HG1  VAL  15          2HG1      VAL  15  -7.627  -7.740   4.109
  109   3HG1  VAL  15          3HG1      VAL  15  -6.564  -8.730   3.110
  110   1HG2  VAL  15          1HG2      VAL  15 -10.054  -7.206   2.815
  111   2HG2  VAL  15          2HG2      VAL  15  -9.986  -8.846   2.171
  112   3HG2  VAL  15          3HG2      VAL  15 -10.029  -7.467   1.071
  113    H    CYS  16           H        CYS  16  -5.791  -6.771   3.590
  114    HA   CYS  16           HA       CYS  16  -3.656  -6.331   1.612
  115   1HB   CYS  16          2HB       CYS  16  -3.730  -5.778   4.578
  116   2HB   CYS  16          1HB       CYS  16  -2.226  -5.831   3.664
  117    H    ARG  17           H        ARG  17  -3.048  -8.300   0.928
  118    HA   ARG  17           HA       ARG  17  -2.679 -10.417   2.941
  119   1HB   ARG  17          2HB       ARG  17  -2.770 -10.858  -0.032
  120   2HB   ARG  17          1HB       ARG  17  -3.025 -12.028   1.253
  121   1HG   ARG  17          2HG       ARG  17  -5.038 -10.370   1.806
  122   2HG   ARG  17          1HG       ARG  17  -4.891 -10.063   0.075
  123   1HD   ARG  17          2HD       ARG  17  -6.032 -11.924  -0.323
  124   2HD   ARG  17          1HD       ARG  17  -4.733 -12.856   0.417
  125    HE   ARG  17           HE       ARG  17  -7.260 -12.092   1.637
  126   1HH1  ARG  17          1HH1      ARG  17  -4.078 -13.469   2.075
  127   2HH1  ARG  17          2HH1      ARG  17  -4.492 -14.260   3.557
  128   1HH2  ARG  17          1HH2      ARG  17  -7.798 -13.135   3.585
  129   2HH2  ARG  17          2HH2      ARG  17  -6.600 -14.072   4.414
  130    H    ASP  18           H        ASP  18  -0.836 -11.860   2.656
  131    HA   ASP  18           HA       ASP  18   1.582 -10.497   2.495
  132   1HB   ASP  18          2HB       ASP  18   0.986 -12.807   3.562
  133   2HB   ASP  18          1HB       ASP  18   1.424 -13.451   1.983
  134    H    LYS  19           H        LYS  19   3.024 -10.143   0.928
  135    HA   LYS  19           HA       LYS  19   2.216 -10.152  -1.761
  136   1HB   LYS  19          2HB       LYS  19   4.566  -9.525  -2.252
  137   2HB   LYS  19          1HB       LYS  19   3.846  -8.559  -0.971
  138   1HG   LYS  19          2HG       LYS  19   4.994  -9.948   0.699
  139   2HG   LYS  19          1HG       LYS  19   5.748 -10.865  -0.606
  140   1HD   LYS  19          2HD       LYS  19   6.065  -7.947  -0.788
  141   2HD   LYS  19          1HD       LYS  19   6.862  -8.701   0.595
  142   1HE   LYS  19          2HE       LYS  19   7.541 -10.409  -1.402
  143   2HE   LYS  19          1HE       LYS  19   7.473  -8.879  -2.275
  144   1HZ   LYS  19          1HZ       LYS  19   9.241  -8.056  -1.157
  145   2HZ   LYS  19          2HZ       LYS  19   9.633  -9.696  -1.012
  146   3HZ   LYS  19          3HZ       LYS  19   8.889  -8.888   0.275
  147    H    SER  20           H        SER  20   3.524 -12.656   0.159
  148    HA   SER  20           HA       SER  20   4.518 -14.120  -2.170
  149   1HB   SER  20          2HB       SER  20   5.369 -13.952   0.500
  150   2HB   SER  20          1HB       SER  20   4.717 -15.580   0.315
  151    HG   SER  20           HG       SER  20   6.094 -15.820  -1.511
  152    H    GLU  21           H        GLU  21   1.584 -13.644  -1.372
  153    HA   GLU  21           HA       GLU  21   0.636 -16.296  -0.812
  154   1HB   GLU  21          2HB       GLU  21  -0.385 -13.807  -0.352
  155   2HB   GLU  21          1HB       GLU  21  -1.317 -14.314  -1.748
  156   1HG   GLU  21          2HG       GLU  21  -1.203 -16.471   0.097
  157   2HG   GLU  21          1HG       GLU  21  -1.670 -15.010   0.965
  158    H    ARG  22           H        ARG  22  -0.742 -17.440  -2.152
  159    HA   ARG  22           HA       ARG  22  -0.131 -17.150  -4.991
  160   1HB   ARG  22          2HB       ARG  22  -0.491 -19.393  -3.154
  161   2HB   ARG  22          1HB       ARG  22  -1.348 -19.597  -4.671
  162   1HG   ARG  22          2HG       ARG  22   1.260 -18.642  -5.248
  163   2HG   ARG  22          1HG       ARG  22   1.396 -19.991  -4.120
  164   1HD   ARG  22          2HD       ARG  22   1.382 -21.126  -6.109
  165   2HD   ARG  22          1HD       ARG  22  -0.344 -21.101  -5.749
  166    HE   ARG  22           HE       ARG  22   0.548 -18.872  -7.333
  167   1HH1  ARG  22          1HH1      ARG  22  -0.589 -22.171  -7.411
  168   2HH1  ARG  22          2HH1      ARG  22  -1.173 -22.063  -9.037
  169   1HH2  ARG  22          1HH2      ARG  22  -0.221 -18.728  -9.472
  170   2HH2  ARG  22          2HH2      ARG  22  -0.965 -20.109 -10.208
  171    H    ASN  23           H        ASN  23  -2.668 -16.822  -2.755
  172    HA   ASN  23           HA       ASN  23  -4.651 -16.833  -4.935
  173   1HB   ASN  23          2HB       ASN  23  -4.777 -18.408  -2.763
  174   2HB   ASN  23          1HB       ASN  23  -5.574 -16.978  -2.115
  175   1HD2  ASN  23          1HD2      ASN  23  -6.556 -19.695  -2.828
  176   2HD2  ASN  23          2HD2      ASN  23  -7.896 -19.421  -3.883
  177    H    CYS  24           H        CYS  24  -3.689 -14.604  -5.236
  178    HA   CYS  24           HA       CYS  24  -5.354 -12.705  -3.768
  179   1HB   CYS  24          2HB       CYS  24  -2.834 -12.974  -2.918
  180   2HB   CYS  24          1HB       CYS  24  -2.546 -11.853  -4.244
  181    H    LYS  25           H        LYS  25  -6.209 -11.184  -5.040
  182    HA   LYS  25           HA       LYS  25  -5.122 -10.900  -7.765
  183   1HB   LYS  25          2HB       LYS  25  -7.544 -11.873  -7.247
  184   2HB   LYS  25          1HB       LYS  25  -7.947 -10.163  -7.157
  185   1HG   LYS  25          2HG       LYS  25  -6.801  -9.968  -9.438
  186   2HG   LYS  25          1HG       LYS  25  -6.927 -11.727  -9.497
  187   1HD   LYS  25          2HD       LYS  25  -9.145 -11.675  -9.864
  188   2HD   LYS  25          1HD       LYS  25  -9.401 -10.358  -8.719
  189   1HE   LYS  25          2HE       LYS  25  -9.968  -9.700 -11.012
  190   2HE   LYS  25          1HE       LYS  25  -8.633  -8.747 -10.365
  191   1HZ   LYS  25          1HZ       LYS  25  -7.153 -10.430 -11.539
  192   2HZ   LYS  25          2HZ       LYS  25  -7.974  -9.316 -12.510
  193   3HZ   LYS  25          3HZ       LYS  25  -8.542 -10.904 -12.384
  194    HA   PRO  26           HA       PRO  26  -4.283  -6.881  -5.578
  195   1HB   PRO  26          2HB       PRO  26  -2.596  -6.758  -8.037
  196   2HB   PRO  26          1HB       PRO  26  -2.203  -6.292  -6.378
  197   1HG   PRO  26          2HG       PRO  26  -1.269  -8.563  -7.399
  198   2HG   PRO  26          1HG       PRO  26  -1.817  -8.482  -5.715
  199   1HD   PRO  26          2HD       PRO  26  -3.156  -9.690  -8.089
  200   2HD   PRO  26          1HD       PRO  26  -3.171 -10.214  -6.393
  201    H    MET  27           H        MET  27  -5.059  -4.864  -6.048
  202    HA   MET  27           HA       MET  27  -6.594  -4.623  -8.541
  203   1HB   MET  27          2HB       MET  27  -7.592  -2.613  -7.158
  204   2HB   MET  27          1HB       MET  27  -8.152  -4.257  -6.893
  205   1HG   MET  27          2HG       MET  27  -7.132  -4.423  -4.853
  206   2HG   MET  27          1HG       MET  27  -5.895  -3.234  -5.252
  207   1HE   MET  27          1HE       MET  27  -9.876  -3.203  -5.339
  208   2HE   MET  27          2HE       MET  27 -10.178  -2.355  -3.824
  209   3HE   MET  27          3HE       MET  27  -9.386  -3.930  -3.809
  210    H    ALA  28           H        ALA  28  -6.788  -2.334  -9.377
  211    HA   ALA  28           HA       ALA  28  -4.114  -1.237  -9.626
  212   1HB   ALA  28          1HB       ALA  28  -6.654  -0.963 -11.171
  213   2HB   ALA  28          2HB       ALA  28  -5.048  -1.437 -11.724
  214   3HB   ALA  28          3HB       ALA  28  -5.387   0.251 -11.345
  215    H    TRP  29           H        TRP  29  -3.760   1.060  -9.527
  216    HA   TRP  29           HA       TRP  29  -3.629   2.924  -8.217
  217   1HB   TRP  29          2HB       TRP  29  -6.585   3.232  -8.421
  218   2HB   TRP  29          1HB       TRP  29  -5.306   4.407  -8.698
  219    HD1  TRP  29           HD       TRP  29  -7.690   2.256 -10.524
  220    HE1  TRP  29           1HE      TRP  29  -7.148   2.242 -13.041
  221    HE3  TRP  29           3HE      TRP  29  -3.056   4.409 -10.368
  222    HZ2  TRP  29           2HZ      TRP  29  -5.034   3.040 -14.735
  223    HZ3  TRP  29           3HZ      TRP  29  -1.840   4.748 -12.480
  224    HH2  TRP  29           HH       TRP  29  -2.810   4.076 -14.618
  225    H    THR  30           H        THR  30  -3.157   1.546  -6.317
  226    HA   THR  30           HA       THR  30  -4.612   2.399  -4.072
  227    HB   THR  30           HB       THR  30  -6.284   0.786  -4.846
  228    HG1  THR  30           1HG      THR  30  -5.731   1.060  -2.542
  229   1HG2  THR  30          1HG2      THR  30  -5.750  -1.155  -5.744
  230   2HG2  THR  30          2HG2      THR  30  -5.056  -1.673  -4.208
  231   3HG2  THR  30          3HG2      THR  30  -4.044  -0.861  -5.404
  232    H    TYR  31           H        TYR  31  -3.593   1.889  -2.132
  233    HA   TYR  31           HA       TYR  31  -1.242   0.143  -2.272
  234   1HB   TYR  31          2HB       TYR  31   0.127   1.823  -1.097
  235   2HB   TYR  31          1HB       TYR  31  -0.405   2.401  -2.672
  236    HD1  TYR  31           1HD      TYR  31  -0.288   3.083   0.827
  237    HD2  TYR  31           2HD      TYR  31  -2.454   3.945  -2.732
  238    HE1  TYR  31           1HE      TYR  31  -1.220   5.097   1.888
  239    HE2  TYR  31           2HE      TYR  31  -3.391   5.961  -1.681
  240    HH   TYR  31           HH       TYR  31  -3.843   6.717   0.774
  241    H    CYS  32           H        CYS  32  -0.534  -0.671  -0.244
  242    HA   CYS  32           HA       CYS  32  -2.664  -0.675   1.767
  243   1HB   CYS  32          2HB       CYS  32  -2.023  -2.860   0.941
  244   2HB   CYS  32          1HB       CYS  32  -0.338  -2.561   1.340
  245    H    GLU  33           H        GLU  33  -2.082  -0.662   4.026
  246    HA   GLU  33           HA       GLU  33  -0.535   1.534   4.753
  247   1HB   GLU  33          2HB       GLU  33  -2.338   0.014   6.042
  248   2HB   GLU  33          1HB       GLU  33  -0.866  -0.615   6.770
  249   1HG   GLU  33          2HG       GLU  33  -1.806   1.164   8.116
  250   2HG   GLU  33          1HG       GLU  33  -0.238   1.636   7.462
  251    H    ASN  34           H        ASN  34   0.299  -1.899   4.679
  252    HA   ASN  34           HA       ASN  34   2.973  -1.347   5.684
  253   1HB   ASN  34          2HB       ASN  34   1.511  -3.415   6.254
  254   2HB   ASN  34          1HB       ASN  34   2.036  -4.023   4.687
  255   1HD2  ASN  34          1HD2      ASN  34   3.626  -2.268   7.332
  256   2HD2  ASN  34          2HD2      ASN  34   4.938  -3.379   7.505
  257    H    ARG  35           H        ARG  35   4.875  -1.704   4.531
  258    HA   ARG  35           HA       ARG  35   4.603  -1.359   1.655
  259   1HB   ARG  35          2HB       ARG  35   6.368  -0.367   3.587
  260   2HB   ARG  35          1HB       ARG  35   7.334  -1.466   2.613
  261   1HG   ARG  35          2HG       ARG  35   5.679   0.216   0.951
  262   2HG   ARG  35          1HG       ARG  35   6.689   1.175   2.035
  263   1HD   ARG  35          2HD       ARG  35   8.294   0.898   0.502
  264   2HD   ARG  35          1HD       ARG  35   8.435  -0.738   1.143
  265    HE   ARG  35           HE       ARG  35   6.435  -0.798  -0.774
  266   1HH1  ARG  35          1HH1      ARG  35   9.858  -0.129  -0.644
  267   2HH1  ARG  35          2HH1      ARG  35  10.150  -0.660  -2.267
  268   1HH2  ARG  35          1HH2      ARG  35   6.818  -1.497  -2.907
  269   2HH2  ARG  35          2HH2      ARG  35   8.424  -1.436  -3.551
  270    H    ASN  36           H        ASN  36   4.368  -3.999   3.321
  271    HA   ASN  36           HA       ASN  36   6.115  -5.569   1.542
  272   1HB   ASN  36          2HB       ASN  36   6.632  -5.508   4.108
  273   2HB   ASN  36          1HB       ASN  36   5.262  -6.609   4.222
  274   1HD2  ASN  36          1HD2      ASN  36   7.994  -6.215   1.990
  275   2HD2  ASN  36          2HD2      ASN  36   8.511  -7.861   2.064
  276    H    GLN  37           H        GLN  37   2.967  -4.973   2.723
  277    HA   GLN  37           HA       GLN  37   1.936  -7.505   1.685
  278   1HB   GLN  37          2HB       GLN  37   1.320  -6.154   3.959
  279   2HB   GLN  37          1HB       GLN  37   0.082  -5.542   2.875
  280   1HG   GLN  37          2HG       GLN  37  -0.832  -7.675   2.539
  281   2HG   GLN  37          1HG       GLN  37   0.594  -8.477   3.193
  282   1HE2  GLN  37          1HE2      GLN  37  -0.862  -9.634   4.565
  283   2HE2  GLN  37          2HE2      GLN  37  -1.467  -8.901   6.006
  284    H    LYS  38           H        LYS  38   0.009  -7.436   0.297
  285    HA   LYS  38           HA       LYS  38   0.067  -5.089  -1.481
  286   1HB   LYS  38          2HB       LYS  38  -1.163  -7.320  -2.774
  287   2HB   LYS  38          1HB       LYS  38   0.300  -6.463  -3.220
  288   1HG   LYS  38          2HG       LYS  38   1.340  -8.399  -2.901
  289   2HG   LYS  38          1HG       LYS  38   1.153  -8.100  -1.178
  290   1HD   LYS  38          2HD       LYS  38  -0.093  -9.932  -1.025
  291   2HD   LYS  38          1HD       LYS  38  -1.286  -9.185  -2.089
  292   1HE   LYS  38          2HE       LYS  38   1.117 -10.391  -3.343
  293   2HE   LYS  38          1HE       LYS  38  -0.090 -11.486  -2.675
  294   1HZ   LYS  38          1HZ       LYS  38  -0.789 -11.190  -4.840
  295   2HZ   LYS  38          2HZ       LYS  38  -0.366  -9.553  -4.879
  296   3HZ   LYS  38          3HZ       LYS  38  -1.732 -10.051  -4.015
  297    H    CYS  39           H        CYS  39  -1.876  -4.320  -2.358
  298    HA   CYS  39           HA       CYS  39  -4.194  -4.853  -0.669
  299   1HB   CYS  39          2HB       CYS  39  -3.529  -2.515  -0.998
  300   2HB   CYS  39          1HB       CYS  39  -3.739  -2.690  -2.736
  301    H    CYS  40           H        CYS  40  -5.225  -6.607  -1.358
  302    HA   CYS  40           HA       CYS  40  -5.711  -6.988  -4.212
  303   1HB   CYS  40          2HB       CYS  40  -5.625  -8.737  -1.815
  304   2HB   CYS  40          1HB       CYS  40  -6.733  -9.195  -3.096
  305    H    GLU  41           H        GLU  41  -7.886  -7.801  -4.838
  306    HA   GLU  41           HA       GLU  41  -9.897  -5.994  -3.941
  307   1HB   GLU  41          2HB       GLU  41  -9.479  -7.446  -6.231
  308   2HB   GLU  41          1HB       GLU  41 -10.815  -8.314  -5.489
  309   1HG   GLU  41          2HG       GLU  41 -11.030  -5.368  -5.606
  310   2HG   GLU  41          1HG       GLU  41 -11.158  -6.249  -7.128
  311    H    TYR  42           H        TYR  42  -9.658  -9.550  -3.807
  312    HA   TYR  42           HA       TYR  42 -11.355  -9.474  -1.403
  313   1HB   TYR  42          2HB       TYR  42 -11.944 -10.706  -3.910
  314   2HB   TYR  42          1HB       TYR  42 -11.704 -11.978  -2.717
  315    HD1  TYR  42           1HD      TYR  42 -13.547  -8.775  -3.222
  316    HD2  TYR  42           2HD      TYR  42 -13.458 -12.578  -1.316
  317    HE1  TYR  42           1HE      TYR  42 -15.822  -8.395  -2.370
  318    HE2  TYR  42           2HE      TYR  42 -15.734 -12.208  -0.460
  319    HH   TYR  42           HH       TYR  42 -17.693 -10.885  -0.947
  Start of MODEL   11
    1   1H    ILE   1          1HT       ILE   1  -3.950   7.299 -15.623
    2   2H    ILE   1          2HT       ILE   1  -2.857   7.336 -14.301
    3   3H    ILE   1          3HT       ILE   1  -2.298   6.915 -15.868
    4    HA   ILE   1           HA       ILE   1  -2.319   8.996 -16.619
    5    HB   ILE   1           HB       ILE   1  -3.668  10.814 -15.683
    6   1HG1  ILE   1          2HG1      ILE   1  -3.713   9.884 -13.344
    7   2HG1  ILE   1          1HG1      ILE   1  -5.259  10.486 -13.926
    8   1HG2  ILE   1          1HG2      ILE   1  -4.631   8.527 -17.060
    9   2HG2  ILE   1          2HG2      ILE   1  -5.185  10.198 -17.171
   10   3HG2  ILE   1          3HG2      ILE   1  -5.908   9.106 -15.991
   11   1HD1  ILE   1          1HD1      ILE   1  -5.991   8.550 -13.047
   12   2HD1  ILE   1          2HD1      ILE   1  -4.430   7.751 -13.221
   13   3HD1  ILE   1          3HD1      ILE   1  -5.500   7.909 -14.613
   14    H    MED   2           H        DME   2  -0.963  10.721 -16.066
   15    HA   MED   2           HA       DME   2  -0.189  11.316 -13.405
   16   1HB   MED   2          1HB       DME   2   0.035  12.679 -15.668
   17   2HB   MED   2          2HB       DME   2   1.622  11.922 -15.697
   18   1HG   MED   2          1HG       DME   2   2.294  13.645 -14.471
   19   2HG   MED   2          2HG       DME   2   1.461  12.860 -13.130
   20   1HE   MED   2          1HE       DME   2  -1.627  14.868 -12.482
   21   2HE   MED   2          2HE       DME   2  -0.540  13.553 -12.036
   22   3HE   MED   2          3HE       DME   2  -1.643  13.361 -13.399
   23    H    PHE   3           H        PHE   3   1.209  10.324 -12.109
   24    HA   PHE   3           HA       PHE   3   2.880   8.193 -13.230
   25   1HB   PHE   3          2HB       PHE   3   3.916  10.663 -12.431
   26   2HB   PHE   3          1HB       PHE   3   4.260   9.581 -11.086
   27    HD1  PHE   3           1HD      PHE   3   4.898  10.290 -14.617
   28    HD2  PHE   3           2HD      PHE   3   5.785   7.734 -11.333
   29    HE1  PHE   3           1HE      PHE   3   6.824   9.382 -15.849
   30    HE2  PHE   3           2HE      PHE   3   7.713   6.822 -12.559
   31    HZ   PHE   3           HZ       PHE   3   8.234   7.646 -14.821
   32    H    PHE   4           H        PHE   4   2.575   9.700 -10.020
   33    HA   PHE   4           HA       PHE   4   1.758   7.071  -8.971
   34   1HB   PHE   4          2HB       PHE   4   4.023   8.233  -8.281
   35   2HB   PHE   4          1HB       PHE   4   2.976   9.159  -7.211
   36    HD1  PHE   4           1HD      PHE   4   1.396   7.789  -5.687
   37    HD2  PHE   4           2HD      PHE   4   4.836   6.179  -7.606
   38    HE1  PHE   4           1HE      PHE   4   1.445   5.952  -4.051
   39    HE2  PHE   4           2HE      PHE   4   4.891   4.339  -5.974
   40    HZ   PHE   4           HZ       PHE   4   3.194   4.224  -4.194
   41    H    GLU   5           H        GLU   5  -0.446   7.324  -9.066
   42    HA   GLU   5           HA       GLU   5  -1.564   9.254  -7.166
   43   1HB   GLU   5          2HB       GLU   5  -1.698   9.955  -9.688
   44   2HB   GLU   5          1HB       GLU   5  -2.996   8.770  -9.753
   45   1HG   GLU   5          2HG       GLU   5  -4.317   9.970  -8.235
   46   2HG   GLU   5          1HG       GLU   5  -2.961  10.971  -7.718
   47    H    MET   6           H        MET   6  -1.424   7.057  -6.054
   48    HA   MET   6           HA       MET   6  -3.616   5.267  -6.792
   49   1HB   MET   6          2HB       MET   6  -1.314   5.020  -4.863
   50   2HB   MET   6          1HB       MET   6  -2.638   3.864  -4.894
   51   1HG   MET   6          2HG       MET   6  -2.133   3.401  -7.264
   52   2HG   MET   6          1HG       MET   6  -0.749   4.487  -7.151
   53   1HE   MET   6          1HE       MET   6  -0.327   1.834  -8.289
   54   2HE   MET   6          2HE       MET   6   0.853   0.920  -7.350
   55   3HE   MET   6          3HE       MET   6   1.183   2.595  -7.789
   56    H    GLN   7           H        GLN   7  -4.577   4.230  -4.598
   57    HA   GLN   7           HA       GLN   7  -5.358   6.435  -2.820
   58   1HB   GLN   7          2HB       GLN   7  -7.168   4.568  -4.335
   59   2HB   GLN   7          1HB       GLN   7  -7.698   5.353  -2.854
   60   1HG   GLN   7          2HG       GLN   7  -7.016   7.540  -3.987
   61   2HG   GLN   7          1HG       GLN   7  -6.972   6.600  -5.478
   62   1HE2  GLN   7          1HE2      GLN   7  -9.081   7.233  -2.700
   63   2HE2  GLN   7          2HE2      GLN   7 -10.554   7.248  -3.601
   64    H    ALA   8           H        ALA   8  -6.836   5.374  -0.988
   65    HA   ALA   8           HA       ALA   8  -5.107   3.512   0.353
   66   1HB   ALA   8          1HB       ALA   8  -7.731   4.083   1.552
   67   2HB   ALA   8          2HB       ALA   8  -6.722   5.493   1.231
   68   3HB   ALA   8          3HB       ALA   8  -6.114   4.188   2.249
   69    H    CYS   9           H        CYS   9  -5.556   1.410   0.973
   70    HA   CYS   9           HA       CYS   9  -7.126  -0.127  -0.814
   71   1HB   CYS   9          2HB       CYS   9  -5.043  -0.846   0.499
   72   2HB   CYS   9          1HB       CYS   9  -6.132  -1.100   1.856
   73    H    TRP  10           H        TRP  10  -7.726   1.247   2.331
   74    HA   TRP  10           HA       TRP  10 -10.216  -0.242   2.626
   75   1HB   TRP  10          2HB       TRP  10 -10.148   1.603   4.691
   76   2HB   TRP  10          1HB       TRP  10  -9.630  -0.065   4.791
   77    HD1  TRP  10           HD       TRP  10  -6.863  -0.440   4.306
   78    HE1  TRP  10           1HE      TRP  10  -4.923   1.097   5.034
   79    HE3  TRP  10           3HE      TRP  10  -9.514   3.795   5.132
   80    HZ2  TRP  10           2HZ      TRP  10  -4.584   3.793   5.859
   81    HZ3  TRP  10           3HZ      TRP  10  -8.339   5.831   5.888
   82    HH2  TRP  10           HH       TRP  10  -5.918   5.825   6.245
   83    H    SER  11           H        SER  11  -9.135   2.709   1.338
   84    HA   SER  11           HA       SER  11 -11.373   4.350   1.860
   85   1HB   SER  11          2HB       SER  11  -9.021   4.425   0.075
   86   2HB   SER  11          1HB       SER  11 -10.426   5.322  -0.502
   87    HG   SER  11           HG       SER  11  -9.423   5.603   2.129
   88    H    HIS  12           H        HIS  12 -10.693   1.916  -0.554
   89    HA   HIS  12           HA       HIS  12 -13.238   2.500  -1.897
   90   1HB   HIS  12          2HB       HIS  12 -10.815   0.917  -2.749
   91   2HB   HIS  12          1HB       HIS  12 -12.339   0.868  -3.631
   92    HD1  HIS  12           1HD      HIS  12 -12.707   4.094  -3.004
   93    HD2  HIS  12           2HD      HIS  12  -9.630   2.153  -5.013
   94    HE1  HIS  12           1HE      HIS  12 -11.666   5.839  -4.487
   95    HE2  HIS  12           2HE      HIS  12  -9.748   4.665  -5.622
   96    H    SER  13           H        SER  13 -11.453  -0.545  -1.469
   97    HA   SER  13           HA       SER  13 -13.009  -1.810   0.398
   98   1HB   SER  13          2HB       SER  13 -14.334  -1.678  -2.251
   99   2HB   SER  13          1HB       SER  13 -14.354  -3.249  -1.452
  100    HG   SER  13           HG       SER  13 -15.929  -2.467  -0.319
  101    H    GLY  14           H        GLY  14 -10.677  -2.398   0.458
  102   1HA   GLY  14          2HA       GLY  14 -10.287  -4.920  -0.988
  103   2HA   GLY  14          1HA       GLY  14  -9.022  -3.701  -1.043
  104    H    VAL  15           H        VAL  15  -7.913  -5.698  -0.135
  105    HA   VAL  15           HA       VAL  15  -7.841  -5.414   2.777
  106    HB   VAL  15           HB       VAL  15  -7.770  -8.125   1.456
  107   1HG1  VAL  15          1HG1      VAL  15  -7.574  -7.122   4.253
  108   2HG1  VAL  15          2HG1      VAL  15  -6.669  -8.403   3.447
  109   3HG1  VAL  15          3HG1      VAL  15  -8.333  -8.686   3.960
  110   1HG2  VAL  15          1HG2      VAL  15 -10.035  -8.278   2.789
  111   2HG2  VAL  15          2HG2      VAL  15  -9.987  -7.635   1.148
  112   3HG2  VAL  15          3HG2      VAL  15 -10.048  -6.534   2.525
  113    H    CYS  16           H        CYS  16  -5.849  -6.236   3.741
  114    HA   CYS  16           HA       CYS  16  -3.589  -5.914   1.905
  115   1HB   CYS  16          2HB       CYS  16  -3.818  -5.672   4.908
  116   2HB   CYS  16          1HB       CYS  16  -2.275  -5.645   4.060
  117    H    ARG  17           H        ARG  17  -3.204  -7.888   1.041
  118    HA   ARG  17           HA       ARG  17  -3.016 -10.197   2.833
  119   1HB   ARG  17          2HB       ARG  17  -2.937 -10.146  -0.186
  120   2HB   ARG  17          1HB       ARG  17  -3.096 -11.567   0.839
  121   1HG   ARG  17          2HG       ARG  17  -5.161  -9.670   1.454
  122   2HG   ARG  17          1HG       ARG  17  -5.144 -10.019  -0.275
  123   1HD   ARG  17          2HD       ARG  17  -5.499 -12.309   0.068
  124   2HD   ARG  17          1HD       ARG  17  -5.030 -12.215   1.765
  125    HE   ARG  17           HE       ARG  17  -7.378 -10.685   1.092
  126   1HH1  ARG  17          1HH1      ARG  17  -6.159 -13.790   2.121
  127   2HH1  ARG  17          2HH1      ARG  17  -7.657 -14.279   2.841
  128   1HH2  ARG  17          1HH2      ARG  17  -9.348 -11.327   2.037
  129   2HH2  ARG  17          2HH2      ARG  17  -9.467 -12.882   2.791
  130    H    ASP  18           H        ASP  18  -1.232 -11.758   2.396
  131    HA   ASP  18           HA       ASP  18   1.260 -10.471   2.681
  132   1HB   ASP  18          2HB       ASP  18   0.316 -12.908   3.374
  133   2HB   ASP  18          1HB       ASP  18   1.256 -13.339   1.947
  134    H    LYS  19           H        LYS  19   2.880 -10.117   1.310
  135    HA   LYS  19           HA       LYS  19   2.380  -9.990  -1.466
  136   1HB   LYS  19          2HB       LYS  19   4.530  -9.265   0.370
  137   2HB   LYS  19          1HB       LYS  19   5.131  -9.807  -1.191
  138   1HG   LYS  19          2HG       LYS  19   3.305  -8.154  -2.098
  139   2HG   LYS  19          1HG       LYS  19   3.503  -7.418  -0.508
  140   1HD   LYS  19          2HD       LYS  19   5.551  -6.620  -0.999
  141   2HD   LYS  19          1HD       LYS  19   6.015  -8.078  -1.878
  142   1HE   LYS  19          2HE       LYS  19   5.889  -6.026  -3.289
  143   2HE   LYS  19          1HE       LYS  19   4.858  -7.347  -3.839
  144   1HZ   LYS  19          1HZ       LYS  19   2.957  -6.272  -2.907
  145   2HZ   LYS  19          2HZ       LYS  19   3.769  -5.142  -3.868
  146   3HZ   LYS  19          3HZ       LYS  19   3.907  -5.072  -2.184
  147    H    SER  20           H        SER  20   3.397 -12.571   0.504
  148    HA   SER  20           HA       SER  20   4.727 -13.938  -1.715
  149   1HB   SER  20          2HB       SER  20   5.207 -13.863   1.049
  150   2HB   SER  20          1HB       SER  20   4.609 -15.488   0.717
  151    HG   SER  20           HG       SER  20   6.960 -14.263  -0.075
  152    H    GLU  21           H        GLU  21   1.699 -13.519  -1.298
  153    HA   GLU  21           HA       GLU  21   0.769 -16.232  -1.018
  154   1HB   GLU  21          2HB       GLU  21  -0.369 -13.789  -0.493
  155   2HB   GLU  21          1HB       GLU  21  -1.164 -14.260  -1.982
  156   1HG   GLU  21          2HG       GLU  21  -1.106 -16.504  -0.245
  157   2HG   GLU  21          1HG       GLU  21  -1.698 -15.111   0.658
  158    H    ARG  22           H        ARG  22  -0.385 -17.307  -2.585
  159    HA   ARG  22           HA       ARG  22   0.379 -16.648  -5.330
  160   1HB   ARG  22          2HB       ARG  22   0.266 -19.118  -3.756
  161   2HB   ARG  22          1HB       ARG  22  -0.405 -19.263  -5.367
  162   1HG   ARG  22          2HG       ARG  22   2.038 -17.849  -5.568
  163   2HG   ARG  22          1HG       ARG  22   2.308 -19.272  -4.561
  164   1HD   ARG  22          2HD       ARG  22   2.653 -19.583  -7.049
  165   2HD   ARG  22          1HD       ARG  22   1.578 -20.737  -6.261
  166    HE   ARG  22           HE       ARG  22   0.208 -18.480  -7.391
  167   1HH1  ARG  22          1HH1      ARG  22   1.510 -21.651  -8.047
  168   2HH1  ARG  22          2HH1      ARG  22   0.459 -21.940  -9.393
  169   1HH2  ARG  22          1HH2      ARG  22  -1.175 -18.861  -9.159
  170   2HH2  ARG  22          2HH2      ARG  22  -1.064 -20.357 -10.025
  171    H    ASN  23           H        ASN  23  -2.271 -16.799  -3.250
  172    HA   ASN  23           HA       ASN  23  -4.118 -16.948  -5.542
  173   1HB   ASN  23          2HB       ASN  23  -4.119 -18.791  -3.625
  174   2HB   ASN  23          1HB       ASN  23  -5.091 -17.582  -2.793
  175   1HD2  ASN  23          1HD2      ASN  23  -5.650 -20.280  -4.027
  176   2HD2  ASN  23          2HD2      ASN  23  -7.036 -20.009  -5.022
  177    H    CYS  24           H        CYS  24  -3.482 -14.575  -5.508
  178    HA   CYS  24           HA       CYS  24  -5.483 -13.140  -3.921
  179   1HB   CYS  24          2HB       CYS  24  -2.980 -13.074  -3.041
  180   2HB   CYS  24          1HB       CYS  24  -2.826 -11.837  -4.283
  181    H    LYS  25           H        LYS  25  -6.425 -11.419  -4.930
  182    HA   LYS  25           HA       LYS  25  -5.758 -11.070  -7.764
  183   1HB   LYS  25          2HB       LYS  25  -8.234 -10.324  -6.195
  184   2HB   LYS  25          1HB       LYS  25  -8.000  -9.983  -7.904
  185   1HG   LYS  25          2HG       LYS  25  -8.249 -12.175  -8.520
  186   2HG   LYS  25          1HG       LYS  25  -7.723 -12.789  -6.952
  187   1HD   LYS  25          2HD       LYS  25  -9.906 -11.633  -6.096
  188   2HD   LYS  25          1HD       LYS  25 -10.396 -11.747  -7.788
  189   1HE   LYS  25          2HE       LYS  25  -9.995 -14.162  -7.736
  190   2HE   LYS  25          1HE       LYS  25  -9.510 -14.045  -6.044
  191   1HZ   LYS  25          1HZ       LYS  25 -11.796 -13.077  -5.653
  192   2HZ   LYS  25          2HZ       LYS  25 -11.735 -14.727  -6.020
  193   3HZ   LYS  25          3HZ       LYS  25 -12.197 -13.613  -7.207
  194    HA   PRO  26           HA       PRO  26  -3.829  -7.295  -5.985
  195   1HB   PRO  26          2HB       PRO  26  -2.368  -6.801  -8.268
  196   2HB   PRO  26          1HB       PRO  26  -1.815  -7.803  -6.921
  197   1HG   PRO  26          2HG       PRO  26  -3.039  -8.627  -9.521
  198   2HG   PRO  26          1HG       PRO  26  -1.687  -9.358  -8.637
  199   1HD   PRO  26          2HD       PRO  26  -4.144 -10.430  -8.577
  200   2HD   PRO  26          1HD       PRO  26  -3.089 -10.452  -7.149
  201    H    MET  27           H        MET  27  -4.946  -5.472  -6.010
  202    HA   MET  27           HA       MET  27  -6.324  -4.673  -8.482
  203   1HB   MET  27          2HB       MET  27  -7.730  -5.046  -6.459
  204   2HB   MET  27          1HB       MET  27  -6.853  -3.755  -5.650
  205   1HG   MET  27          2HG       MET  27  -8.978  -2.960  -6.488
  206   2HG   MET  27          1HG       MET  27  -7.643  -2.162  -7.317
  207   1HE   MET  27          1HE       MET  27 -11.204  -3.333  -8.592
  208   2HE   MET  27          2HE       MET  27 -10.543  -4.216  -7.216
  209   3HE   MET  27          3HE       MET  27 -10.757  -5.030  -8.766
  210    H    ALA  28           H        ALA  28  -5.727  -2.871  -9.517
  211    HA   ALA  28           HA       ALA  28  -3.426  -1.419  -8.621
  212   1HB   ALA  28          1HB       ALA  28  -3.559  -0.246 -10.709
  213   2HB   ALA  28          2HB       ALA  28  -5.215  -0.798 -10.965
  214   3HB   ALA  28          3HB       ALA  28  -3.883  -1.953 -11.005
  215    H    TRP  29           H        TRP  29  -3.776   1.151  -9.295
  216    HA   TRP  29           HA       TRP  29  -4.309   3.120  -8.282
  217   1HB   TRP  29          2HB       TRP  29  -7.188   2.360  -8.375
  218   2HB   TRP  29          1HB       TRP  29  -6.397   3.847  -8.878
  219    HD1  TRP  29           HD       TRP  29  -8.003   0.890 -10.300
  220    HE1  TRP  29           1HE      TRP  29  -7.436   0.639 -12.799
  221    HE3  TRP  29           3HE      TRP  29  -4.115   4.198 -10.587
  222    HZ2  TRP  29           2HZ      TRP  29  -5.585   1.703 -14.647
  223    HZ3  TRP  29           3HZ      TRP  29  -3.001   4.523 -12.757
  224    HH2  TRP  29           HH       TRP  29  -3.721   3.301 -14.743
  225    H    THR  30           H        THR  30  -3.699   1.136  -6.377
  226    HA   THR  30           HA       THR  30  -4.621   2.329  -4.029
  227    HB   THR  30           HB       THR  30  -6.772   1.342  -4.479
  228    HG1  THR  30           1HG      THR  30  -5.837   1.200  -2.301
  229   1HG2  THR  30          1HG2      THR  30  -5.256  -0.881  -5.449
  230   2HG2  THR  30          2HG2      THR  30  -6.977  -0.535  -5.620
  231   3HG2  THR  30          3HG2      THR  30  -6.391  -1.411  -4.206
  232    H    TYR  31           H        TYR  31  -3.503   1.624  -2.241
  233    HA   TYR  31           HA       TYR  31  -1.894  -0.809  -2.494
  234   1HB   TYR  31          2HB       TYR  31   0.101   0.407  -1.638
  235   2HB   TYR  31          1HB       TYR  31  -0.406   0.947  -3.234
  236    HD1  TYR  31           1HD      TYR  31  -0.162   1.850   0.311
  237    HD2  TYR  31           2HD      TYR  31  -1.311   3.169  -3.567
  238    HE1  TYR  31           1HE      TYR  31  -0.252   4.166   1.133
  239    HE2  TYR  31           2HE      TYR  31  -1.404   5.489  -2.756
  240    HH   TYR  31           HH       TYR  31  -1.257   6.279   0.579
  241    H    CYS  32           H        CYS  32  -0.653  -1.140  -0.310
  242    HA   CYS  32           HA       CYS  32  -2.648  -0.785   1.812
  243   1HB   CYS  32          2HB       CYS  32  -2.068  -3.094   1.302
  244   2HB   CYS  32          1HB       CYS  32  -0.368  -2.759   1.592
  245    H    GLU  33           H        GLU  33  -1.893  -0.407   3.987
  246    HA   GLU  33           HA       GLU  33  -0.227   1.838   4.176
  247   1HB   GLU  33          2HB       GLU  33  -1.661   0.081   6.050
  248   2HB   GLU  33          1HB       GLU  33  -0.250   0.876   6.732
  249   1HG   GLU  33          2HG       GLU  33  -1.134   3.043   6.113
  250   2HG   GLU  33          1HG       GLU  33  -2.520   2.277   5.338
  251    H    ASN  34           H        ASN  34   0.462  -1.577   4.523
  252    HA   ASN  34           HA       ASN  34   3.149  -1.057   5.498
  253   1HB   ASN  34          2HB       ASN  34   1.409  -3.103   5.958
  254   2HB   ASN  34          1HB       ASN  34   2.434  -3.808   4.712
  255   1HD2  ASN  34          1HD2      ASN  34   4.815  -3.534   5.100
  256   2HD2  ASN  34          2HD2      ASN  34   5.373  -3.760   6.720
  257    H    ARG  35           H        ARG  35   5.042  -1.677   4.404
  258    HA   ARG  35           HA       ARG  35   4.816  -1.488   1.510
  259   1HB   ARG  35          2HB       ARG  35   6.695  -0.613   3.445
  260   2HB   ARG  35          1HB       ARG  35   7.529  -1.743   2.387
  261   1HG   ARG  35          2HG       ARG  35   6.248  -0.253   0.553
  262   2HG   ARG  35          1HG       ARG  35   6.465   0.944   1.832
  263   1HD   ARG  35          2HD       ARG  35   8.866  -0.621   1.405
  264   2HD   ARG  35          1HD       ARG  35   8.338   0.179  -0.074
  265    HE   ARG  35           HE       ARG  35   9.440   1.419   2.260
  266   1HH1  ARG  35          1HH1      ARG  35   7.349   1.906  -0.491
  267   2HH1  ARG  35          2HH1      ARG  35   7.568   3.624  -0.512
  268   1HH2  ARG  35          1HH2      ARG  35   9.730   3.678   2.234
  269   2HH2  ARG  35          2HH2      ARG  35   8.920   4.631   1.035
  270    H    ASN  36           H        ASN  36   4.277  -4.000   3.236
  271    HA   ASN  36           HA       ASN  36   5.794  -5.811   1.506
  272   1HB   ASN  36          2HB       ASN  36   6.564  -5.504   4.055
  273   2HB   ASN  36          1HB       ASN  36   5.281  -6.683   4.301
  274   1HD2  ASN  36          1HD2      ASN  36   5.593  -8.088   1.868
  275   2HD2  ASN  36          2HD2      ASN  36   7.083  -8.950   1.942
  276    H    GLN  37           H        GLN  37   2.941  -4.681   1.954
  277    HA   GLN  37           HA       GLN  37   1.583  -7.269   1.710
  278   1HB   GLN  37          2HB       GLN  37   1.298  -5.457   3.827
  279   2HB   GLN  37          1HB       GLN  37  -0.126  -5.219   2.830
  280   1HG   GLN  37          2HG       GLN  37  -0.824  -7.437   3.104
  281   2HG   GLN  37          1HG       GLN  37   0.764  -7.947   3.675
  282   1HE2  GLN  37          1HE2      GLN  37  -1.409  -8.658   5.099
  283   2HE2  GLN  37          2HE2      GLN  37  -1.484  -7.772   6.581
  284    H    LYS  38           H        LYS  38   0.044  -7.387   0.117
  285    HA   LYS  38           HA       LYS  38  -0.121  -5.063  -1.660
  286   1HB   LYS  38          2HB       LYS  38  -1.315  -7.608  -2.554
  287   2HB   LYS  38          1HB       LYS  38  -0.277  -6.484  -3.419
  288   1HG   LYS  38          2HG       LYS  38   1.540  -7.459  -1.765
  289   2HG   LYS  38          1HG       LYS  38   0.431  -8.830  -1.753
  290   1HD   LYS  38          2HD       LYS  38   0.674  -8.061  -4.442
  291   2HD   LYS  38          1HD       LYS  38   2.309  -8.019  -3.780
  292   1HE   LYS  38          2HE       LYS  38   2.394 -10.257  -3.512
  293   2HE   LYS  38          1HE       LYS  38   0.707 -10.364  -3.015
  294   1HZ   LYS  38          1HZ       LYS  38   1.046 -11.480  -5.112
  295   2HZ   LYS  38          2HZ       LYS  38   1.688 -10.076  -5.803
  296   3HZ   LYS  38          3HZ       LYS  38   0.061 -10.124  -5.344
  297    H    CYS  39           H        CYS  39  -2.136  -4.462  -2.613
  298    HA   CYS  39           HA       CYS  39  -4.386  -4.871  -0.784
  299   1HB   CYS  39          2HB       CYS  39  -3.769  -2.546  -1.220
  300   2HB   CYS  39          1HB       CYS  39  -3.969  -2.799  -2.949
  301    H    CYS  40           H        CYS  40  -5.473  -6.638  -1.365
  302    HA   CYS  40           HA       CYS  40  -5.979  -7.156  -4.195
  303   1HB   CYS  40          2HB       CYS  40  -5.842  -8.791  -1.730
  304   2HB   CYS  40          1HB       CYS  40  -7.007  -9.301  -2.940
  305    H    GLU  41           H        GLU  41  -8.158  -8.015  -4.755
  306    HA   GLU  41           HA       GLU  41 -10.154  -6.139  -4.095
  307   1HB   GLU  41          2HB       GLU  41  -9.833  -8.322  -5.922
  308   2HB   GLU  41          1HB       GLU  41 -11.396  -8.472  -5.131
  309   1HG   GLU  41          2HG       GLU  41 -11.831  -6.084  -5.754
  310   2HG   GLU  41          1HG       GLU  41 -10.361  -6.144  -6.726
  311    H    TYR  42           H        TYR  42 -10.280  -9.660  -3.523
  312    HA   TYR  42           HA       TYR  42 -11.580  -9.105  -0.942
  313   1HB   TYR  42          2HB       TYR  42 -12.568 -10.705  -3.222
  314   2HB   TYR  42          1HB       TYR  42 -12.737 -11.459  -1.640
  315    HD1  TYR  42           1HD      TYR  42 -14.179 -10.456   0.067
  316    HD2  TYR  42           2HD      TYR  42 -13.851  -8.750  -3.817
  317    HE1  TYR  42           1HE      TYR  42 -16.202  -9.124   0.488
  318    HE2  TYR  42           2HE      TYR  42 -15.873  -7.413  -3.406
  319    HH   TYR  42           HH       TYR  42 -17.048  -6.606  -0.794
  Start of MODEL   12
    1   1H    ILE   1          1HT       ILE   1  -4.581  11.791   0.327
    2   2H    ILE   1          2HT       ILE   1  -4.221  12.732  -1.063
    3   3H    ILE   1          3HT       ILE   1  -3.053  12.553   0.181
    4    HA   ILE   1           HA       ILE   1  -2.509  10.482  -0.397
    5    HB   ILE   1           HB       ILE   1  -3.991   9.034  -1.811
    6   1HG1  ILE   1          2HG1      ILE   1  -6.491  10.237  -1.225
    7   2HG1  ILE   1          1HG1      ILE   1  -5.489  11.478  -1.972
    8   1HG2  ILE   1          1HG2      ILE   1  -4.456   9.877   0.956
    9   2HG2  ILE   1          2HG2      ILE   1  -4.221   8.264   0.282
   10   3HG2  ILE   1          3HG2      ILE   1  -5.810   9.027   0.210
   11   1HD1  ILE   1          1HD1      ILE   1  -5.266  10.273  -3.948
   12   2HD1  ILE   1          2HD1      ILE   1  -6.949  10.028  -3.482
   13   3HD1  ILE   1          3HD1      ILE   1  -5.759   8.759  -3.191
   14    H    MED   2           H        DME   2  -2.237  13.072  -1.742
   15    HA   MED   2           HA       DME   2  -1.087  12.104  -4.194
   16   1HB   MED   2          1HB       DME   2  -0.449  14.130  -2.476
   17   2HB   MED   2          2HB       DME   2  -1.213  15.017  -3.787
   18   1HG   MED   2          1HG       DME   2   0.422  13.382  -5.182
   19   2HG   MED   2          2HG       DME   2   1.356  13.602  -3.702
   20   1HE   MED   2          1HE       DME   2   1.641  14.158  -6.708
   21   2HE   MED   2          2HE       DME   2   2.678  15.585  -6.726
   22   3HE   MED   2          3HE       DME   2   1.010  15.698  -7.291
   23    H    PHE   3           H        PHE   3  -1.404  13.531  -6.219
   24    HA   PHE   3           HA       PHE   3  -4.161  14.434  -6.530
   25   1HB   PHE   3          2HB       PHE   3  -1.642  15.167  -7.687
   26   2HB   PHE   3          1HB       PHE   3  -2.739  14.676  -8.974
   27    HD1  PHE   3           1HD      PHE   3  -5.143  15.710  -8.840
   28    HD2  PHE   3           2HD      PHE   3  -1.705  17.337  -6.933
   29    HE1  PHE   3           1HE      PHE   3  -6.243  17.908  -8.741
   30    HE2  PHE   3           2HE      PHE   3  -2.799  19.539  -6.830
   31    HZ   PHE   3           HZ       PHE   3  -5.072  19.826  -7.735
   32    H    PHE   4           H        PHE   4  -1.946  12.562  -8.609
   33    HA   PHE   4           HA       PHE   4  -4.122  10.642  -9.071
   34   1HB   PHE   4          2HB       PHE   4  -2.720  12.330 -11.048
   35   2HB   PHE   4          1HB       PHE   4  -2.888  10.636 -11.493
   36    HD1  PHE   4           1HD      PHE   4  -4.900  13.491 -10.198
   37    HD2  PHE   4           2HD      PHE   4  -4.815   9.939 -12.539
   38    HE1  PHE   4           1HE      PHE   4  -7.215  13.915 -10.917
   39    HE2  PHE   4           2HE      PHE   4  -7.130  10.355 -13.263
   40    HZ   PHE   4           HZ       PHE   4  -8.332  12.346 -12.452
   41    H    GLU   5           H        GLU   5  -2.690   9.633  -7.351
   42    HA   GLU   5           HA       GLU   5  -0.850   7.813  -8.687
   43   1HB   GLU   5          2HB       GLU   5   0.181   9.978  -7.350
   44   2HB   GLU   5          1HB       GLU   5   0.199   8.736  -6.106
   45   1HG   GLU   5          2HG       GLU   5   2.224   8.320  -7.001
   46   2HG   GLU   5          1HG       GLU   5   1.264   7.329  -8.099
   47    H    MET   6           H        MET   6  -2.090   6.047  -8.310
   48    HA   MET   6           HA       MET   6  -3.215   4.404  -7.203
   49   1HB   MET   6          2HB       MET   6  -0.733   4.966  -5.776
   50   2HB   MET   6          1HB       MET   6  -1.938   4.180  -4.765
   51   1HG   MET   6          2HG       MET   6  -2.171   2.518  -6.717
   52   2HG   MET   6          1HG       MET   6  -0.630   3.179  -7.260
   53   1HE   MET   6          1HE       MET   6   1.245   1.948  -6.977
   54   2HE   MET   6          2HE       MET   6   1.856   1.190  -5.506
   55   3HE   MET   6          3HE       MET   6   1.725   2.945  -5.605
   56    H    GLN   7           H        GLN   7  -3.939   3.846  -4.686
   57    HA   GLN   7           HA       GLN   7  -5.066   6.210  -3.432
   58   1HB   GLN   7          2HB       GLN   7  -6.610   4.404  -5.132
   59   2HB   GLN   7          1HB       GLN   7  -7.286   4.560  -3.516
   60   1HG   GLN   7          2HG       GLN   7  -6.921   7.126  -3.984
   61   2HG   GLN   7          1HG       GLN   7  -6.999   6.591  -5.662
   62   1HE2  GLN   7          1HE2      GLN   7  -8.803   8.015  -3.516
   63   2HE2  GLN   7          2HE2      GLN   7 -10.355   7.329  -3.839
   64    H    ALA   8           H        ALA   8  -6.784   5.142  -1.671
   65    HA   ALA   8           HA       ALA   8  -5.023   3.527  -0.003
   66   1HB   ALA   8          1HB       ALA   8  -5.935   4.590   1.734
   67   2HB   ALA   8          2HB       ALA   8  -7.576   4.271   1.174
   68   3HB   ALA   8          3HB       ALA   8  -6.684   5.656   0.545
   69    H    CYS   9           H        CYS   9  -5.556   1.537   0.849
   70    HA   CYS   9           HA       CYS   9  -7.179  -0.143  -0.746
   71   1HB   CYS   9          2HB       CYS   9  -5.133  -0.696   0.790
   72   2HB   CYS   9          1HB       CYS   9  -6.357  -0.897   2.035
   73    H    TRP  10           H        TRP  10  -7.827   1.778   2.051
   74    HA   TRP  10           HA       TRP  10 -10.252   0.344   2.735
   75   1HB   TRP  10          2HB       TRP  10 -10.320   2.811   4.057
   76   2HB   TRP  10          1HB       TRP  10  -9.822   1.277   4.733
   77    HD1  TRP  10           HD       TRP  10  -7.029   0.772   4.445
   78    HE1  TRP  10           1HE      TRP  10  -5.112   2.474   4.728
   79    HE3  TRP  10           3HE      TRP  10  -9.700   5.042   3.867
   80    HZ2  TRP  10           2HZ      TRP  10  -4.794   5.294   4.705
   81    HZ3  TRP  10           3HZ      TRP  10  -8.542   7.219   4.003
   82    HH2  TRP  10           HH       TRP  10  -6.134   7.336   4.417
   83    H    SER  11           H        SER  11  -9.324   3.340   1.141
   84    HA   SER  11           HA       SER  11 -11.822   4.538   0.897
   85   1HB   SER  11          2HB       SER  11  -9.302   5.185   0.094
   86   2HB   SER  11          1HB       SER  11 -10.054   4.803  -1.454
   87    HG   SER  11           HG       SER  11 -11.801   6.258  -0.679
   88    H    HIS  12           H        HIS  12 -10.424   1.860  -0.838
   89    HA   HIS  12           HA       HIS  12 -12.714   1.812  -2.676
   90   1HB   HIS  12          2HB       HIS  12 -10.074   1.564  -3.258
   91   2HB   HIS  12          1HB       HIS  12 -10.525  -0.128  -3.074
   92    HD1  HIS  12           1HD      HIS  12 -12.671  -0.858  -4.610
   93    HD2  HIS  12           2HD      HIS  12 -10.637   2.596  -5.702
   94    HE1  HIS  12           1HE      HIS  12 -13.327  -0.419  -6.998
   95    HE2  HIS  12           2HE      HIS  12 -12.164   1.732  -7.603
   96    H    SER  13           H        SER  13 -11.574   0.378   0.158
   97    HA   SER  13           HA       SER  13 -12.406  -1.297   1.454
   98   1HB   SER  13          2HB       SER  13 -14.448  -2.190  -0.504
   99   2HB   SER  13          1HB       SER  13 -14.601  -1.879   1.225
  100    HG   SER  13           HG       SER  13 -15.627  -0.364  -0.388
  101    H    GLY  14           H        GLY  14 -10.452  -2.434   1.098
  102   1HA   GLY  14          2HA       GLY  14 -10.846  -4.876  -0.494
  103   2HA   GLY  14          1HA       GLY  14  -9.378  -3.937  -0.715
  104    H    VAL  15           H        VAL  15  -8.120  -5.733  -0.058
  105    HA   VAL  15           HA       VAL  15  -7.975  -5.998   2.857
  106    HB   VAL  15           HB       VAL  15  -7.757  -8.410   1.061
  107   1HG1  VAL  15          1HG1      VAL  15  -7.586  -7.898   3.979
  108   2HG1  VAL  15          2HG1      VAL  15  -6.673  -9.021   2.970
  109   3HG1  VAL  15          3HG1      VAL  15  -8.326  -9.409   3.448
  110   1HG2  VAL  15          1HG2      VAL  15 -10.140  -7.347   2.560
  111   2HG2  VAL  15          2HG2      VAL  15  -9.995  -9.035   2.068
  112   3HG2  VAL  15          3HG2      VAL  15 -10.020  -7.761   0.849
  113    H    CYS  16           H        CYS  16  -5.912  -6.883   3.605
  114    HA   CYS  16           HA       CYS  16  -3.730  -6.312   1.712
  115   1HB   CYS  16          2HB       CYS  16  -3.992  -5.778   4.659
  116   2HB   CYS  16          1HB       CYS  16  -2.410  -5.888   3.897
  117    H    ARG  17           H        ARG  17  -3.028  -8.227   0.999
  118    HA   ARG  17           HA       ARG  17  -2.591 -10.370   2.975
  119   1HB   ARG  17          2HB       ARG  17  -2.749 -10.749  -0.010
  120   2HB   ARG  17          1HB       ARG  17  -2.877 -11.972   1.247
  121   1HG   ARG  17          2HG       ARG  17  -4.909  -9.987   1.617
  122   2HG   ARG  17          1HG       ARG  17  -4.953 -10.598  -0.038
  123   1HD   ARG  17          2HD       ARG  17  -5.602 -12.666   0.602
  124   2HD   ARG  17          1HD       ARG  17  -4.627 -12.631   2.071
  125    HE   ARG  17           HE       ARG  17  -6.918 -10.889   2.140
  126   1HH1  ARG  17          1HH1      ARG  17  -5.752 -14.124   2.743
  127   2HH1  ARG  17          2HH1      ARG  17  -7.002 -14.496   3.881
  128   1HH2  ARG  17          1HH2      ARG  17  -8.562 -11.379   3.638
  129   2HH2  ARG  17          2HH2      ARG  17  -8.598 -12.938   4.388
  130    H    ASP  18           H        ASP  18  -0.708 -11.746   2.644
  131    HA   ASP  18           HA       ASP  18   1.668 -10.303   2.456
  132   1HB   ASP  18          2HB       ASP  18   1.283 -12.538   3.609
  133   2HB   ASP  18          1HB       ASP  18   1.440 -13.282   2.020
  134    H    LYS  19           H        LYS  19   2.985  -9.789   0.840
  135    HA   LYS  19           HA       LYS  19   2.172  -9.808  -1.810
  136   1HB   LYS  19          2HB       LYS  19   4.410  -9.079  -2.372
  137   2HB   LYS  19          1HB       LYS  19   3.895  -8.299  -0.883
  138   1HG   LYS  19          2HG       LYS  19   5.248  -9.782   0.430
  139   2HG   LYS  19          1HG       LYS  19   5.660 -10.735  -0.998
  140   1HD   LYS  19          2HD       LYS  19   6.375  -8.162  -1.709
  141   2HD   LYS  19          1HD       LYS  19   6.825  -8.258  -0.005
  142   1HE   LYS  19          2HE       LYS  19   8.215 -10.148  -0.397
  143   2HE   LYS  19          1HE       LYS  19   7.597 -10.342  -2.036
  144   1HZ   LYS  19          1HZ       LYS  19   8.579  -8.118  -2.527
  145   2HZ   LYS  19          2HZ       LYS  19   9.715  -9.324  -2.186
  146   3HZ   LYS  19          3HZ       LYS  19   9.333  -8.167  -1.014
  147    H    SER  20           H        SER  20   3.701 -12.302   0.018
  148    HA   SER  20           HA       SER  20   4.487 -13.771  -2.377
  149   1HB   SER  20          2HB       SER  20   5.472 -13.618   0.264
  150   2HB   SER  20          1HB       SER  20   4.866 -15.259   0.053
  151    HG   SER  20           HG       SER  20   6.154 -15.367  -1.865
  152    H    GLU  21           H        GLU  21   1.630 -13.289  -1.526
  153    HA   GLU  21           HA       GLU  21   0.681 -15.911  -0.840
  154   1HB   GLU  21          2HB       GLU  21  -0.450 -14.098   0.197
  155   2HB   GLU  21          1HB       GLU  21  -0.659 -13.256  -1.331
  156   1HG   GLU  21          2HG       GLU  21  -2.445 -14.478  -1.915
  157   2HG   GLU  21          1HG       GLU  21  -1.822 -15.931  -1.144
  158    H    ARG  22           H        ARG  22  -0.081 -17.342  -2.211
  159    HA   ARG  22           HA       ARG  22   0.188 -16.899  -5.039
  160   1HB   ARG  22          2HB       ARG  22   0.052 -19.163  -3.254
  161   2HB   ARG  22          1HB       ARG  22  -1.017 -19.397  -4.629
  162   1HG   ARG  22          2HG       ARG  22   1.442 -18.384  -5.604
  163   2HG   ARG  22          1HG       ARG  22   1.797 -19.706  -4.491
  164   1HD   ARG  22          2HD       ARG  22   0.055 -21.049  -5.745
  165   2HD   ARG  22          1HD       ARG  22   0.067 -19.765  -6.953
  166    HE   ARG  22           HE       ARG  22   2.091 -21.768  -6.523
  167   1HH1  ARG  22          1HH1      ARG  22   1.400 -18.617  -7.858
  168   2HH1  ARG  22          2HH1      ARG  22   2.723 -18.662  -8.974
  169   1HH2  ARG  22          1HH2      ARG  22   3.831 -21.828  -7.990
  170   2HH2  ARG  22          2HH2      ARG  22   4.104 -20.485  -9.048
  171    H    ASN  23           H        ASN  23  -2.335 -16.550  -2.815
  172    HA   ASN  23           HA       ASN  23  -4.317 -16.627  -4.993
  173   1HB   ASN  23          2HB       ASN  23  -4.479 -18.291  -2.965
  174   2HB   ASN  23          1HB       ASN  23  -5.131 -16.888  -2.123
  175   1HD2  ASN  23          1HD2      ASN  23  -6.132 -19.560  -3.413
  176   2HD2  ASN  23          2HD2      ASN  23  -7.608 -19.069  -4.165
  177    H    CYS  24           H        CYS  24  -3.381 -14.372  -5.242
  178    HA   CYS  24           HA       CYS  24  -5.059 -12.529  -3.699
  179   1HB   CYS  24          2HB       CYS  24  -2.494 -12.702  -3.013
  180   2HB   CYS  24          1HB       CYS  24  -2.302 -11.625  -4.392
  181    H    LYS  25           H        LYS  25  -6.138 -11.160  -4.955
  182    HA   LYS  25           HA       LYS  25  -5.223 -10.802  -7.733
  183   1HB   LYS  25          2HB       LYS  25  -8.050 -10.517  -6.702
  184   2HB   LYS  25          1HB       LYS  25  -7.527 -10.505  -8.381
  185   1HG   LYS  25          2HG       LYS  25  -7.499 -12.736  -8.514
  186   2HG   LYS  25          1HG       LYS  25  -6.765 -12.920  -6.921
  187   1HD   LYS  25          2HD       LYS  25  -8.841 -12.802  -5.829
  188   2HD   LYS  25          1HD       LYS  25  -9.646 -12.139  -7.254
  189   1HE   LYS  25          2HE       LYS  25  -8.766 -14.477  -8.256
  190   2HE   LYS  25          1HE       LYS  25  -8.986 -14.934  -6.568
  191   1HZ   LYS  25          1HZ       LYS  25 -10.939 -15.084  -8.292
  192   2HZ   LYS  25          2HZ       LYS  25 -11.142 -13.456  -7.884
  193   3HZ   LYS  25          3HZ       LYS  25 -11.226 -14.645  -6.683
  194    HA   PRO  26           HA       PRO  26  -4.452  -6.737  -5.564
  195   1HB   PRO  26          2HB       PRO  26  -3.089  -6.544  -8.221
  196   2HB   PRO  26          1HB       PRO  26  -2.551  -5.969  -6.637
  197   1HG   PRO  26          2HG       PRO  26  -1.554  -8.207  -7.677
  198   2HG   PRO  26          1HG       PRO  26  -1.899  -8.082  -5.942
  199   1HD   PRO  26          2HD       PRO  26  -3.360  -9.565  -8.060
  200   2HD   PRO  26          1HD       PRO  26  -3.207  -9.922  -6.329
  201    H    MET  27           H        MET  27  -5.278  -4.695  -6.005
  202    HA   MET  27           HA       MET  27  -7.299  -4.626  -8.125
  203   1HB   MET  27          2HB       MET  27  -7.230  -3.728  -5.414
  204   2HB   MET  27          1HB       MET  27  -7.466  -2.329  -6.454
  205   1HG   MET  27          2HG       MET  27  -9.124  -4.658  -7.114
  206   2HG   MET  27          1HG       MET  27  -9.448  -3.924  -5.544
  207   1HE   MET  27          1HE       MET  27 -12.224  -2.605  -6.533
  208   2HE   MET  27          2HE       MET  27 -11.581  -4.185  -6.977
  209   3HE   MET  27          3HE       MET  27 -12.106  -3.064  -8.232
  210    H    ALA  28           H        ALA  28  -7.699  -2.191  -8.842
  211    HA   ALA  28           HA       ALA  28  -5.209  -1.373 -10.095
  212   1HB   ALA  28          1HB       ALA  28  -6.463  -0.420 -11.742
  213   2HB   ALA  28          2HB       ALA  28  -7.760   0.045 -10.642
  214   3HB   ALA  28          3HB       ALA  28  -7.611  -1.632 -11.171
  215    H    TRP  29           H        TRP  29  -4.074   0.373  -9.570
  216    HA   TRP  29           HA       TRP  29  -3.312   2.110  -8.326
  217   1HB   TRP  29          2HB       TRP  29  -5.996   3.391  -8.480
  218   2HB   TRP  29          1HB       TRP  29  -4.403   4.072  -8.773
  219    HD1  TRP  29           HD       TRP  29  -7.218   2.193 -10.526
  220    HE1  TRP  29           1HE      TRP  29  -6.806   2.266 -13.066
  221    HE3  TRP  29           3HE      TRP  29  -2.534   4.238 -10.530
  222    HZ2  TRP  29           2HZ      TRP  29  -4.764   3.085 -14.837
  223    HZ3  TRP  29           3HZ      TRP  29  -1.420   4.634 -12.688
  224    HH2  TRP  29           HH       TRP  29  -2.514   4.068 -14.797
  225    H    THR  30           H        THR  30  -3.190   0.801  -6.396
  226    HA   THR  30           HA       THR  30  -4.467   2.062  -4.190
  227    HB   THR  30           HB       THR  30  -6.334   0.641  -4.818
  228    HG1  THR  30           1HG      THR  30  -5.629   0.894  -2.540
  229   1HG2  THR  30          1HG2      THR  30  -6.273  -1.697  -4.962
  230   2HG2  THR  30          2HG2      THR  30  -4.626  -1.774  -4.335
  231   3HG2  THR  30          3HG2      THR  30  -4.928  -1.128  -5.948
  232    H    TYR  31           H        TYR  31  -3.456   1.631  -2.252
  233    HA   TYR  31           HA       TYR  31  -1.252  -0.321  -2.328
  234   1HB   TYR  31          2HB       TYR  31   0.069   1.299  -0.941
  235   2HB   TYR  31          1HB       TYR  31  -0.231   1.837  -2.589
  236    HD1  TYR  31           1HD      TYR  31  -0.989   3.996  -2.920
  237    HD2  TYR  31           2HD      TYR  31  -1.707   2.125   0.831
  238    HE1  TYR  31           1HE      TYR  31  -1.944   6.094  -2.064
  239    HE2  TYR  31           2HE      TYR  31  -2.665   4.216   1.699
  240    HH   TYR  31           HH       TYR  31  -3.793   6.295   0.660
  241    H    CYS  32           H        CYS  32  -0.448  -0.870  -0.103
  242    HA   CYS  32           HA       CYS  32  -2.752  -1.134   1.698
  243   1HB   CYS  32          2HB       CYS  32  -0.510  -2.887   0.961
  244   2HB   CYS  32          1HB       CYS  32  -0.864  -2.852   2.685
  245    H    GLU  33           H        GLU  33  -1.942  -1.469   4.088
  246    HA   GLU  33           HA       GLU  33  -0.757   1.030   4.859
  247   1HB   GLU  33          2HB       GLU  33  -2.619  -0.461   6.024
  248   2HB   GLU  33          1HB       GLU  33  -1.221  -1.156   6.834
  249   1HG   GLU  33          2HG       GLU  33  -0.736   1.503   7.109
  250   2HG   GLU  33          1HG       GLU  33  -2.497   1.455   7.175
  251    H    ASN  34           H        ASN  34   0.262  -2.317   4.695
  252    HA   ASN  34           HA       ASN  34   2.770  -1.744   6.051
  253   1HB   ASN  34          2HB       ASN  34   1.217  -3.987   5.950
  254   2HB   ASN  34          1HB       ASN  34   2.439  -4.363   4.740
  255   1HD2  ASN  34          1HD2      ASN  34   4.717  -3.990   5.450
  256   2HD2  ASN  34          2HD2      ASN  34   5.122  -4.433   7.069
  257    H    ARG  35           H        ARG  35   4.824  -2.033   5.081
  258    HA   ARG  35           HA       ARG  35   4.896  -1.231   2.312
  259   1HB   ARG  35          2HB       ARG  35   6.617  -1.075   4.642
  260   2HB   ARG  35          1HB       ARG  35   7.504  -1.581   3.215
  261   1HG   ARG  35          2HG       ARG  35   7.606   0.808   3.428
  262   2HG   ARG  35          1HG       ARG  35   6.640   0.386   2.014
  263   1HD   ARG  35          2HD       ARG  35   4.940   1.567   2.815
  264   2HD   ARG  35          1HD       ARG  35   4.901   0.546   4.253
  265    HE   ARG  35           HE       ARG  35   6.939   2.525   4.431
  266   1HH1  ARG  35          1HH1      ARG  35   3.495   2.042   4.736
  267   2HH1  ARG  35          2HH1      ARG  35   3.282   3.362   5.838
  268   1HH2  ARG  35          1HH2      ARG  35   6.659   4.260   5.879
  269   2HH2  ARG  35          2HH2      ARG  35   5.078   4.621   6.487
  270    H    ASN  36           H        ASN  36   4.390  -4.144   3.484
  271    HA   ASN  36           HA       ASN  36   5.988  -5.438   1.403
  272   1HB   ASN  36          2HB       ASN  36   6.896  -5.644   3.871
  273   2HB   ASN  36          1HB       ASN  36   5.629  -6.858   4.008
  274   1HD2  ASN  36          1HD2      ASN  36   7.906  -5.943   1.448
  275   2HD2  ASN  36          2HD2      ASN  36   8.550  -7.528   1.220
  276    H    GLN  37           H        GLN  37   3.054  -4.681   2.160
  277    HA   GLN  37           HA       GLN  37   1.898  -7.319   1.558
  278   1HB   GLN  37          2HB       GLN  37   1.373  -5.700   3.733
  279   2HB   GLN  37          1HB       GLN  37   0.060  -5.316   2.633
  280   1HG   GLN  37          2HG       GLN  37  -0.738  -7.506   2.634
  281   2HG   GLN  37          1HG       GLN  37   0.777  -8.146   3.268
  282   1HE2  GLN  37          1HE2      GLN  37  -1.061  -9.135   4.636
  283   2HE2  GLN  37          2HE2      GLN  37  -1.404  -8.311   6.116
  284    H    LYS  38           H        LYS  38  -0.168  -7.202   0.322
  285    HA   LYS  38           HA       LYS  38  -0.135  -4.949  -1.576
  286   1HB   LYS  38          2HB       LYS  38  -1.317  -7.097  -2.921
  287   2HB   LYS  38          1HB       LYS  38   0.261  -6.397  -3.224
  288   1HG   LYS  38          2HG       LYS  38   1.361  -8.129  -2.284
  289   2HG   LYS  38          1HG       LYS  38   0.117  -8.408  -1.066
  290   1HD   LYS  38          2HD       LYS  38  -0.619 -10.122  -2.274
  291   2HD   LYS  38          1HD       LYS  38  -1.079  -8.985  -3.542
  292   1HE   LYS  38          2HE       LYS  38   1.657  -9.301  -3.870
  293   2HE   LYS  38          1HE       LYS  38   1.083 -10.918  -3.468
  294   1HZ   LYS  38          1HZ       LYS  38   1.054  -9.920  -5.929
  295   2HZ   LYS  38          2HZ       LYS  38  -0.495  -9.465  -5.425
  296   3HZ   LYS  38          3HZ       LYS  38  -0.040 -11.094  -5.392
  297    H    CYS  39           H        CYS  39  -2.100  -4.209  -2.362
  298    HA   CYS  39           HA       CYS  39  -4.373  -4.827  -0.638
  299   1HB   CYS  39          2HB       CYS  39  -3.814  -2.475  -0.914
  300   2HB   CYS  39          1HB       CYS  39  -3.964  -2.619  -2.660
  301    H    CYS  40           H        CYS  40  -5.255  -6.665  -1.370
  302    HA   CYS  40           HA       CYS  40  -5.862  -6.944  -4.208
  303   1HB   CYS  40          2HB       CYS  40  -5.580  -8.803  -1.898
  304   2HB   CYS  40          1HB       CYS  40  -6.619  -9.281  -3.226
  305    H    GLU  41           H        GLU  41  -7.982  -7.812  -4.807
  306    HA   GLU  41           HA       GLU  41 -10.083  -6.247  -3.728
  307   1HB   GLU  41          2HB       GLU  41  -9.681  -7.548  -6.090
  308   2HB   GLU  41          1HB       GLU  41 -10.855  -8.605  -5.318
  309   1HG   GLU  41          2HG       GLU  41 -11.235  -5.641  -5.641
  310   2HG   GLU  41          1HG       GLU  41 -11.822  -6.841  -6.791
  311    H    TYR  42           H        TYR  42  -9.878  -9.804  -3.928
  312    HA   TYR  42           HA       TYR  42 -11.360  -9.932  -1.387
  313   1HB   TYR  42          2HB       TYR  42 -12.483 -10.793  -3.534
  314   2HB   TYR  42          1HB       TYR  42 -11.336 -12.122  -3.437
  315    HD1  TYR  42           1HD      TYR  42 -13.413 -10.333  -0.896
  316    HD2  TYR  42           2HD      TYR  42 -12.377 -14.043  -2.700
  317    HE1  TYR  42           1HE      TYR  42 -14.909 -11.504   0.666
  318    HE2  TYR  42           2HE      TYR  42 -13.869 -15.224  -1.144
  319    HH   TYR  42           HH       TYR  42 -14.884 -14.176   1.583
  Start of MODEL   13
    1   1H    ILE   1          1HT       ILE   1   2.129  17.969  -6.279
    2   2H    ILE   1          2HT       ILE   1   2.468  19.576  -5.780
    3   3H    ILE   1          3HT       ILE   1   0.927  18.885  -5.473
    4    HA   ILE   1           HA       ILE   1   3.499  18.018  -4.339
    5    HB   ILE   1           HB       ILE   1   2.670  20.153  -3.425
    6   1HG1  ILE   1          2HG1      ILE   1   2.154  18.973  -1.005
    7   2HG1  ILE   1          1HG1      ILE   1   2.965  17.672  -1.871
    8   1HG2  ILE   1          1HG2      ILE   1   0.310  19.918  -3.866
    9   2HG2  ILE   1          2HG2      ILE   1   0.563  20.181  -2.139
   10   3HG2  ILE   1          3HG2      ILE   1   0.203  18.563  -2.742
   11   1HD1  ILE   1          1HD1      ILE   1   4.727  19.478  -2.432
   12   2HD1  ILE   1          2HD1      ILE   1   4.705  18.756  -0.823
   13   3HD1  ILE   1          3HD1      ILE   1   4.005  20.354  -1.082
   14    H    MED   2           H        DME   2   3.494  16.092  -3.319
   15    HA   MED   2           HA       DME   2   1.217  14.362  -3.715
   16   1HB   MED   2          1HB       DME   2   1.854  15.529  -1.085
   17   2HB   MED   2          2HB       DME   2   1.636  13.784  -1.083
   18   1HG   MED   2          1HG       DME   2  -0.574  13.915  -1.575
   19   2HG   MED   2          2HG       DME   2  -0.396  15.409  -2.494
   20   1HE   MED   2          1HE       DME   2  -1.920  16.835  -1.930
   21   2HE   MED   2          2HE       DME   2  -0.865  18.001  -1.131
   22   3HE   MED   2          3HE       DME   2  -2.365  17.494  -0.356
   23    H    PHE   3           H        PHE   3   1.739  12.129  -2.665
   24    HA   PHE   3           HA       PHE   3   4.579  11.563  -3.201
   25   1HB   PHE   3          2HB       PHE   3   3.392  11.302  -0.743
   26   2HB   PHE   3          1HB       PHE   3   3.221   9.677  -1.402
   27    HD1  PHE   3           1HD      PHE   3   5.897  12.281  -1.493
   28    HD2  PHE   3           2HD      PHE   3   4.830   8.255  -0.619
   29    HE1  PHE   3           1HE      PHE   3   8.233  11.798  -0.892
   30    HE2  PHE   3           2HE      PHE   3   7.165   7.765  -0.015
   31    HZ   PHE   3           HZ       PHE   3   8.870   9.536  -0.152
   32    H    PHE   4           H        PHE   4   1.284  10.257  -3.164
   33    HA   PHE   4           HA       PHE   4   1.916   8.715  -5.557
   34   1HB   PHE   4          2HB       PHE   4   1.492   7.555  -2.920
   35   2HB   PHE   4          1HB       PHE   4   0.335   6.946  -4.098
   36    HD1  PHE   4           1HD      PHE   4   0.948   5.294  -5.618
   37    HD2  PHE   4           2HD      PHE   4   3.966   7.429  -3.509
   38    HE1  PHE   4           1HE      PHE   4   2.647   3.743  -6.489
   39    HE2  PHE   4           2HE      PHE   4   5.671   5.882  -4.377
   40    HZ   PHE   4           HZ       PHE   4   5.014   4.038  -5.870
   41    H    GLU   5           H        GLU   5   0.339   8.880  -7.013
   42    HA   GLU   5           HA       GLU   5  -2.129  10.207  -6.267
   43   1HB   GLU   5          2HB       GLU   5  -2.544  10.371  -8.656
   44   2HB   GLU   5          1HB       GLU   5  -0.908  10.901  -8.291
   45   1HG   GLU   5          2HG       GLU   5  -0.137   9.488  -9.801
   46   2HG   GLU   5          1HG       GLU   5  -0.758   8.147  -8.839
   47    H    MET   6           H        MET   6  -2.308   7.952  -4.982
   48    HA   MET   6           HA       MET   6  -4.198   6.348  -6.561
   49   1HB   MET   6          2HB       MET   6  -2.104   5.283  -4.658
   50   2HB   MET   6          1HB       MET   6  -3.392   4.318  -5.367
   51   1HG   MET   6          2HG       MET   6  -2.355   5.302  -7.607
   52   2HG   MET   6          1HG       MET   6  -0.919   5.382  -6.591
   53   1HE   MET   6          1HE       MET   6   0.765   3.465  -7.134
   54   2HE   MET   6          2HE       MET   6   0.365   1.928  -6.367
   55   3HE   MET   6          3HE       MET   6   0.205   3.435  -5.463
   56    H    GLN   7           H        GLN   7  -5.234   4.694  -4.767
   57    HA   GLN   7           HA       GLN   7  -6.236   6.466  -2.636
   58   1HB   GLN   7          2HB       GLN   7  -7.599   4.503  -4.421
   59   2HB   GLN   7          1HB       GLN   7  -8.221   4.714  -2.791
   60   1HG   GLN   7          2HG       GLN   7  -7.786   7.003  -4.686
   61   2HG   GLN   7          1HG       GLN   7  -9.301   6.108  -4.582
   62   1HE2  GLN   7          1HE2      GLN   7 -10.644   7.553  -3.706
   63   2HE2  GLN   7          2HE2      GLN   7 -10.398   8.349  -2.193
   64    H    ALA   8           H        ALA   8  -7.295   5.079  -0.815
   65    HA   ALA   8           HA       ALA   8  -5.206   3.295   0.143
   66   1HB   ALA   8          1HB       ALA   8  -5.689   4.522   1.960
   67   2HB   ALA   8          2HB       ALA   8  -7.031   3.396   2.159
   68   3HB   ALA   8          3HB       ALA   8  -7.294   4.950   1.367
   69    H    CYS   9           H        CYS   9  -5.441   1.146   0.550
   70    HA   CYS   9           HA       CYS   9  -7.258  -0.361  -0.921
   71   1HB   CYS   9          2HB       CYS   9  -5.030  -1.054   0.207
   72   2HB   CYS   9          1HB       CYS   9  -6.026  -1.407   1.612
   73    H    TRP  10           H        TRP  10  -7.563   1.059   2.227
   74    HA   TRP  10           HA       TRP  10  -9.992  -0.468   2.791
   75   1HB   TRP  10          2HB       TRP  10  -9.721   1.320   4.870
   76   2HB   TRP  10          1HB       TRP  10  -9.139  -0.330   4.873
   77    HD1  TRP  10           HD       TRP  10  -6.435  -0.609   4.113
   78    HE1  TRP  10           1HE      TRP  10  -4.478   0.990   4.632
   79    HE3  TRP  10           3HE      TRP  10  -9.114   3.540   5.225
   80    HZ2  TRP  10           2HZ      TRP  10  -4.137   3.697   5.419
   81    HZ3  TRP  10           3HZ      TRP  10  -7.930   5.615   5.855
   82    HH2  TRP  10           HH       TRP  10  -5.487   5.685   5.950
   83    H    SER  11           H        SER  11  -9.047   2.494   1.427
   84    HA   SER  11           HA       SER  11 -11.337   4.031   2.188
   85   1HB   SER  11          2HB       SER  11  -8.972   4.403   0.449
   86   2HB   SER  11          1HB       SER  11 -10.410   5.311  -0.015
   87    HG   SER  11           HG       SER  11 -10.463   6.078   2.189
   88    H    HIS  12           H        HIS  12 -10.533   1.852  -0.414
   89    HA   HIS  12           HA       HIS  12 -13.012   2.533  -1.817
   90   1HB   HIS  12          2HB       HIS  12 -10.420   1.394  -2.615
   91   2HB   HIS  12          1HB       HIS  12 -11.814   0.615  -3.357
   92    HD1  HIS  12           1HD      HIS  12 -13.556   2.453  -4.496
   93    HD2  HIS  12           2HD      HIS  12  -9.596   3.590  -3.958
   94    HE1  HIS  12           1HE      HIS  12 -13.201   4.405  -6.041
   95    HE2  HIS  12           2HE      HIS  12 -10.827   5.139  -5.623
   96    H    SER  13           H        SER  13 -11.363  -0.598  -1.562
   97    HA   SER  13           HA       SER  13 -13.030  -1.907   0.196
   98   1HB   SER  13          2HB       SER  13 -14.971  -1.536  -1.088
   99   2HB   SER  13          1HB       SER  13 -14.129  -1.834  -2.609
  100    HG   SER  13           HG       SER  13 -14.675  -3.774  -0.608
  101    H    GLY  14           H        GLY  14 -10.670  -2.513   0.248
  102   1HA   GLY  14          2HA       GLY  14 -10.331  -5.007  -1.262
  103   2HA   GLY  14          1HA       GLY  14  -9.040  -3.814  -1.284
  104    H    VAL  15           H        VAL  15  -7.895  -5.767  -0.417
  105    HA   VAL  15           HA       VAL  15  -7.906  -5.622   2.508
  106    HB   VAL  15           HB       VAL  15  -7.711  -8.262   1.059
  107   1HG1  VAL  15          1HG1      VAL  15  -7.506  -7.374   3.873
  108   2HG1  VAL  15          2HG1      VAL  15  -6.705  -8.706   3.040
  109   3HG1  VAL  15          3HG1      VAL  15  -8.377  -8.878   3.574
  110   1HG2  VAL  15          1HG2      VAL  15  -9.935  -7.815   0.715
  111   2HG2  VAL  15          2HG2      VAL  15 -10.069  -6.806   2.156
  112   3HG2  VAL  15          3HG2      VAL  15 -10.002  -8.561   2.312
  113    H    CYS  16           H        CYS  16  -5.914  -6.079   3.494
  114    HA   CYS  16           HA       CYS  16  -3.626  -5.910   1.671
  115   1HB   CYS  16          2HB       CYS  16  -4.042  -5.103   4.529
  116   2HB   CYS  16          1HB       CYS  16  -2.417  -5.341   3.899
  117    H    ARG  17           H        ARG  17  -3.094  -7.949   1.138
  118    HA   ARG  17           HA       ARG  17  -2.690  -9.878   3.327
  119   1HB   ARG  17          2HB       ARG  17  -3.268 -10.319   0.398
  120   2HB   ARG  17          1HB       ARG  17  -2.796 -11.609   1.495
  121   1HG   ARG  17          2HG       ARG  17  -5.000 -10.046   2.542
  122   2HG   ARG  17          1HG       ARG  17  -5.367 -10.752   0.968
  123   1HD   ARG  17          2HD       ARG  17  -4.781 -12.955   1.783
  124   2HD   ARG  17          1HD       ARG  17  -4.290 -12.278   3.334
  125    HE   ARG  17           HE       ARG  17  -6.493 -12.180   3.958
  126   1HH1  ARG  17          1HH1      ARG  17  -6.307 -12.713   0.514
  127   2HH1  ARG  17          2HH1      ARG  17  -8.004 -13.010   0.342
  128   1HH2  ARG  17          1HH2      ARG  17  -8.726 -12.570   3.734
  129   2HH2  ARG  17          2HH2      ARG  17  -9.378 -12.927   2.169
  130    H    ASP  18           H        ASP  18  -0.956 -11.576   2.724
  131    HA   ASP  18           HA       ASP  18   1.510 -10.202   2.505
  132   1HB   ASP  18          2HB       ASP  18   0.824 -12.500   3.679
  133   2HB   ASP  18          1HB       ASP  18   1.418 -13.158   2.158
  134    H    LYS  19           H        LYS  19   2.877  -9.970   0.854
  135    HA   LYS  19           HA       LYS  19   1.953 -10.210  -1.799
  136   1HB   LYS  19          2HB       LYS  19   4.321  -9.628  -2.405
  137   2HB   LYS  19          1HB       LYS  19   3.541  -8.505  -1.301
  138   1HG   LYS  19          2HG       LYS  19   5.273  -8.724   0.057
  139   2HG   LYS  19          1HG       LYS  19   4.796 -10.401   0.326
  140   1HD   LYS  19          2HD       LYS  19   7.006 -10.585  -0.379
  141   2HD   LYS  19          1HD       LYS  19   6.088 -10.883  -1.857
  142   1HE   LYS  19          2HE       LYS  19   7.002  -8.118  -1.164
  143   2HE   LYS  19          1HE       LYS  19   8.109  -9.261  -1.922
  144   1HZ   LYS  19          1HZ       LYS  19   7.171  -8.153  -3.704
  145   2HZ   LYS  19          2HZ       LYS  19   5.630  -8.094  -3.010
  146   3HZ   LYS  19          3HZ       LYS  19   6.227  -9.555  -3.619
  147    H    SER  20           H        SER  20   3.378 -12.498   0.282
  148    HA   SER  20           HA       SER  20   4.463 -14.113  -1.879
  149   1HB   SER  20          2HB       SER  20   5.157 -13.804   0.779
  150   2HB   SER  20          1HB       SER  20   4.347 -15.370   0.759
  151    HG   SER  20           HG       SER  20   5.985 -16.181  -0.271
  152    H    GLU  21           H        GLU  21   1.448 -13.557  -1.227
  153    HA   GLU  21           HA       GLU  21   0.502 -16.263  -0.861
  154   1HB   GLU  21          2HB       GLU  21  -0.511 -13.789  -0.162
  155   2HB   GLU  21          1HB       GLU  21  -1.515 -14.264  -1.519
  156   1HG   GLU  21          2HG       GLU  21  -1.223 -16.503   0.199
  157   2HG   GLU  21          1HG       GLU  21  -1.663 -15.104   1.178
  158    H    ARG  22           H        ARG  22  -0.926 -17.234  -2.305
  159    HA   ARG  22           HA       ARG  22  -0.456 -16.523  -5.104
  160   1HB   ARG  22          2HB       ARG  22  -0.498 -19.036  -3.594
  161   2HB   ARG  22          1HB       ARG  22  -1.360 -19.098  -5.119
  162   1HG   ARG  22          2HG       ARG  22   1.112 -17.786  -5.559
  163   2HG   ARG  22          1HG       ARG  22   1.422 -19.260  -4.644
  164   1HD   ARG  22          2HD       ARG  22   0.833 -20.604  -6.359
  165   2HD   ARG  22          1HD       ARG  22  -0.470 -19.538  -6.882
  166    HE   ARG  22           HE       ARG  22   0.969 -18.582  -8.375
  167   1HH1  ARG  22          1HH1      ARG  22   2.834 -20.313  -5.986
  168   2HH1  ARG  22          2HH1      ARG  22   4.339 -20.081  -6.811
  169   1HH2  ARG  22          1HH2      ARG  22   2.948 -18.275  -9.461
  170   2HH2  ARG  22          2HH2      ARG  22   4.404 -18.924  -8.783
  171    H    ASN  23           H        ASN  23  -2.847 -16.648  -2.720
  172    HA   ASN  23           HA       ASN  23  -4.983 -16.817  -4.739
  173   1HB   ASN  23          2HB       ASN  23  -4.795 -18.366  -2.573
  174   2HB   ASN  23          1HB       ASN  23  -5.618 -16.995  -1.836
  175   1HD2  ASN  23          1HD2      ASN  23  -7.527 -18.051  -1.491
  176   2HD2  ASN  23          2HD2      ASN  23  -8.581 -18.544  -2.767
  177    H    CYS  24           H        CYS  24  -3.893 -14.449  -4.871
  178    HA   CYS  24           HA       CYS  24  -5.902 -12.707  -3.709
  179   1HB   CYS  24          2HB       CYS  24  -3.321 -12.912  -2.558
  180   2HB   CYS  24          1HB       CYS  24  -3.388 -11.366  -3.395
  181    H    LYS  25           H        LYS  25  -6.560 -11.270  -5.166
  182    HA   LYS  25           HA       LYS  25  -4.927 -10.890  -7.574
  183   1HB   LYS  25          2HB       LYS  25  -7.871 -10.610  -7.024
  184   2HB   LYS  25          1HB       LYS  25  -7.139  -9.908  -8.458
  185   1HG   LYS  25          2HG       LYS  25  -7.563 -11.865  -9.429
  186   2HG   LYS  25          1HG       LYS  25  -6.187 -12.475  -8.509
  187   1HD   LYS  25          2HD       LYS  25  -8.301 -12.582  -6.716
  188   2HD   LYS  25          1HD       LYS  25  -9.013 -13.084  -8.250
  189   1HE   LYS  25          2HE       LYS  25  -6.569 -14.409  -8.137
  190   2HE   LYS  25          1HE       LYS  25  -7.205 -14.506  -6.495
  191   1HZ   LYS  25          1HZ       LYS  25  -8.296 -16.267  -7.323
  192   2HZ   LYS  25          2HZ       LYS  25  -8.168 -15.749  -8.929
  193   3HZ   LYS  25          3HZ       LYS  25  -9.374 -15.111  -7.928
  194    HA   PRO  26           HA       PRO  26  -4.237  -6.866  -5.499
  195   1HB   PRO  26          2HB       PRO  26  -1.973  -6.285  -6.896
  196   2HB   PRO  26          1HB       PRO  26  -1.984  -7.292  -5.444
  197   1HG   PRO  26          2HG       PRO  26  -1.934  -8.116  -8.322
  198   2HG   PRO  26          1HG       PRO  26  -1.010  -8.767  -6.954
  199   1HD   PRO  26          2HD       PRO  26  -3.205 -10.001  -7.927
  200   2HD   PRO  26          1HD       PRO  26  -2.782 -10.044  -6.204
  201    H    MET  27           H        MET  27  -5.268  -5.101  -6.155
  202    HA   MET  27           HA       MET  27  -5.680  -4.671  -9.022
  203   1HB   MET  27          2HB       MET  27  -7.380  -2.955  -8.102
  204   2HB   MET  27          1HB       MET  27  -7.764  -4.664  -7.982
  205   1HG   MET  27          2HG       MET  27  -7.353  -4.713  -5.687
  206   2HG   MET  27          1HG       MET  27  -6.454  -3.198  -5.724
  207   1HE   MET  27          1HE       MET  27 -10.224  -4.725  -5.963
  208   2HE   MET  27          2HE       MET  27 -10.672  -3.750  -4.563
  209   3HE   MET  27          3HE       MET  27  -9.267  -4.812  -4.484
  210    H    ALA  28           H        ALA  28  -5.674  -2.393  -9.781
  211    HA   ALA  28           HA       ALA  28  -3.294  -1.051  -8.777
  212   1HB   ALA  28          1HB       ALA  28  -3.769  -1.519 -11.240
  213   2HB   ALA  28          2HB       ALA  28  -3.217   0.102 -10.818
  214   3HB   ALA  28          3HB       ALA  28  -4.926  -0.191 -11.147
  215    H    TRP  29           H        TRP  29  -3.735   1.558  -9.435
  216    HA   TRP  29           HA       TRP  29  -4.364   3.468  -8.370
  217   1HB   TRP  29          2HB       TRP  29  -7.193   2.522  -8.608
  218   2HB   TRP  29          1HB       TRP  29  -6.511   4.113  -8.917
  219    HD1  TRP  29           HD       TRP  29  -7.853   1.269 -10.735
  220    HE1  TRP  29           1HE      TRP  29  -7.125   1.305 -13.203
  221    HE3  TRP  29           3HE      TRP  29  -4.103   4.731 -10.425
  222    HZ2  TRP  29           2HZ      TRP  29  -5.214   2.626 -14.808
  223    HZ3  TRP  29           3HZ      TRP  29  -2.874   5.324 -12.473
  224    HH2  TRP  29           HH       TRP  29  -3.419   4.293 -14.618
  225    H    THR  30           H        THR  30  -3.665   1.542  -6.492
  226    HA   THR  30           HA       THR  30  -4.886   2.590  -4.170
  227    HB   THR  30           HB       THR  30  -6.702   1.063  -4.859
  228    HG1  THR  30           1HG      THR  30  -6.093   1.439  -2.593
  229   1HG2  THR  30          1HG2      THR  30  -6.515  -1.206  -5.095
  230   2HG2  THR  30          2HG2      THR  30  -5.005  -1.287  -4.185
  231   3HG2  THR  30          3HG2      THR  30  -5.010  -0.655  -5.832
  232    H    TYR  31           H        TYR  31  -3.835   1.953  -2.252
  233    HA   TYR  31           HA       TYR  31  -1.535   0.156  -2.583
  234   1HB   TYR  31          2HB       TYR  31  -0.259   1.812  -1.093
  235   2HB   TYR  31          1HB       TYR  31  -0.490   2.254  -2.782
  236    HD1  TYR  31           1HD      TYR  31  -2.343   2.629   0.452
  237    HD2  TYR  31           2HD      TYR  31  -1.051   4.451  -3.169
  238    HE1  TYR  31           1HE      TYR  31  -3.376   4.747   1.155
  239    HE2  TYR  31           2HE      TYR  31  -2.079   6.574  -2.475
  240    HH   TYR  31           HH       TYR  31  -2.714   7.679  -0.268
  241    H    CYS  32           H        CYS  32  -0.525  -0.335  -0.375
  242    HA   CYS  32           HA       CYS  32  -2.716  -0.848   1.514
  243   1HB   CYS  32          2HB       CYS  32  -0.394  -2.396   0.615
  244   2HB   CYS  32          1HB       CYS  32  -0.608  -2.401   2.362
  245    H    GLU  33           H        GLU  33  -1.449  -1.342   3.824
  246    HA   GLU  33           HA       GLU  33  -0.605   1.307   4.632
  247   1HB   GLU  33          2HB       GLU  33  -0.976  -1.203   6.277
  248   2HB   GLU  33          1HB       GLU  33  -0.728   0.418   6.913
  249   1HG   GLU  33          2HG       GLU  33  -2.836   1.136   5.926
  250   2HG   GLU  33          1HG       GLU  33  -3.082  -0.480   5.266
  251    H    ASN  34           H        ASN  34   0.734  -1.990   4.842
  252    HA   ASN  34           HA       ASN  34   3.333  -0.911   5.580
  253   1HB   ASN  34          2HB       ASN  34   2.123  -3.112   6.450
  254   2HB   ASN  34          1HB       ASN  34   2.923  -3.818   5.049
  255   1HD2  ASN  34          1HD2      ASN  34   3.717  -1.535   7.651
  256   2HD2  ASN  34          2HD2      ASN  34   5.245  -2.243   8.036
  257    H    ARG  35           H        ARG  35   5.289  -1.696   4.455
  258    HA   ARG  35           HA       ARG  35   4.924  -1.450   1.580
  259   1HB   ARG  35          2HB       ARG  35   6.928  -0.677   3.458
  260   2HB   ARG  35          1HB       ARG  35   7.670  -1.731   2.264
  261   1HG   ARG  35          2HG       ARG  35   6.333  -0.156   0.600
  262   2HG   ARG  35          1HG       ARG  35   6.497   0.969   1.949
  263   1HD   ARG  35          2HD       ARG  35   8.873  -0.558   0.970
  264   2HD   ARG  35          1HD       ARG  35   8.333   0.881   0.108
  265    HE   ARG  35           HE       ARG  35   8.487   1.733   2.663
  266   1HH1  ARG  35          1HH1      ARG  35  10.732   0.050   0.589
  267   2HH1  ARG  35          2HH1      ARG  35  12.133   0.730   1.346
  268   1HH2  ARG  35          1HH2      ARG  35  10.328   2.628   3.659
  269   2HH2  ARG  35          2HH2      ARG  35  11.904   2.193   3.089
  270    H    ASN  36           H        ASN  36   4.356  -3.981   3.175
  271    HA   ASN  36           HA       ASN  36   5.813  -5.771   1.381
  272   1HB   ASN  36          2HB       ASN  36   6.776  -5.580   3.827
  273   2HB   ASN  36          1HB       ASN  36   5.412  -6.623   4.221
  274   1HD2  ASN  36          1HD2      ASN  36   7.676  -6.439   1.500
  275   2HD2  ASN  36          2HD2      ASN  36   8.172  -8.090   1.580
  276    H    GLN  37           H        GLN  37   3.015  -4.637   1.835
  277    HA   GLN  37           HA       GLN  37   1.611  -7.214   1.717
  278   1HB   GLN  37          2HB       GLN  37   1.344  -5.263   3.715
  279   2HB   GLN  37          1HB       GLN  37  -0.072  -5.076   2.696
  280   1HG   GLN  37          2HG       GLN  37  -0.746  -7.314   3.069
  281   2HG   GLN  37          1HG       GLN  37   0.803  -7.721   3.805
  282   1HE2  GLN  37          1HE2      GLN  37  -1.073  -8.484   5.326
  283   2HE2  GLN  37          2HE2      GLN  37  -1.424  -7.397   6.623
  284    H    LYS  38           H        LYS  38   0.060  -7.400   0.146
  285    HA   LYS  38           HA       LYS  38  -0.064  -5.201  -1.786
  286   1HB   LYS  38          2HB       LYS  38  -1.268  -7.126  -3.141
  287   2HB   LYS  38          1HB       LYS  38   0.479  -7.021  -3.056
  288   1HG   LYS  38          2HG       LYS  38   0.661  -8.864  -1.717
  289   2HG   LYS  38          1HG       LYS  38  -0.936  -8.638  -1.005
  290   1HD   LYS  38          2HD       LYS  38  -1.694 -10.204  -2.394
  291   2HD   LYS  38          1HD       LYS  38  -1.400  -9.085  -3.725
  292   1HE   LYS  38          2HE       LYS  38   0.960  -9.956  -3.788
  293   2HE   LYS  38          1HE       LYS  38   0.452 -11.203  -2.650
  294   1HZ   LYS  38          1HZ       LYS  38  -0.127 -10.932  -5.482
  295   2HZ   LYS  38          2HZ       LYS  38  -1.414 -11.460  -4.523
  296   3HZ   LYS  38          3HZ       LYS  38   0.038 -12.326  -4.538
  297    H    CYS  39           H        CYS  39  -2.117  -4.865  -2.915
  298    HA   CYS  39           HA       CYS  39  -4.370  -5.055  -1.028
  299   1HB   CYS  39          2HB       CYS  39  -3.689  -2.763  -1.498
  300   2HB   CYS  39          1HB       CYS  39  -3.884  -3.039  -3.224
  301    H    CYS  40           H        CYS  40  -5.174  -6.987  -1.661
  302    HA   CYS  40           HA       CYS  40  -5.981  -7.299  -4.457
  303   1HB   CYS  40          2HB       CYS  40  -6.567  -9.695  -3.238
  304   2HB   CYS  40          1HB       CYS  40  -5.107  -9.342  -4.146
  305    H    GLU  41           H        GLU  41  -8.099  -7.990  -4.986
  306    HA   GLU  41           HA       GLU  41 -10.150  -6.630  -3.677
  307   1HB   GLU  41          2HB       GLU  41 -10.149  -7.459  -6.059
  308   2HB   GLU  41          1HB       GLU  41 -10.509  -9.062  -5.431
  309   1HG   GLU  41          2HG       GLU  41 -12.655  -8.554  -4.977
  310   2HG   GLU  41          1HG       GLU  41 -12.281  -6.893  -4.519
  311    H    TYR  42           H        TYR  42  -9.542 -10.147  -3.729
  312    HA   TYR  42           HA       TYR  42 -10.973 -10.325  -1.160
  313   1HB   TYR  42          2HB       TYR  42 -11.143 -12.007  -3.609
  314   2HB   TYR  42          1HB       TYR  42 -11.294 -12.812  -2.052
  315    HD1  TYR  42           1HD      TYR  42 -12.908 -10.673  -4.486
  316    HD2  TYR  42           2HD      TYR  42 -13.145 -12.176  -0.512
  317    HE1  TYR  42           1HE      TYR  42 -15.276 -10.018  -4.384
  318    HE2  TYR  42           2HE      TYR  42 -15.514 -11.526  -0.401
  319    HH   TYR  42           HH       TYR  42 -17.382 -11.095  -1.975
  Start of MODEL   14
    1   1H    ILE   1          1HT       ILE   1   5.174   7.968  -8.932
    2   2H    ILE   1          2HT       ILE   1   4.957   6.767  -7.725
    3   3H    ILE   1          3HT       ILE   1   6.130   6.546  -8.958
    4    HA   ILE   1           HA       ILE   1   6.832   7.289  -6.638
    5    HB   ILE   1           HB       ILE   1   8.631   8.715  -7.673
    6   1HG1  ILE   1          2HG1      ILE   1   7.146   8.061 -10.228
    7   2HG1  ILE   1          1HG1      ILE   1   7.234   9.657  -9.488
    8   1HG2  ILE   1          1HG2      ILE   1   9.198   6.696  -9.366
    9   2HG2  ILE   1          2HG2      ILE   1   7.948   5.938  -8.379
   10   3HG2  ILE   1          3HG2      ILE   1   9.396   6.595  -7.616
   11   1HD1  ILE   1          1HD1      ILE   1   8.900   8.714 -11.424
   12   2HD1  ILE   1          2HD1      ILE   1   9.840   8.435  -9.957
   13   3HD1  ILE   1          3HD1      ILE   1   9.256  10.055 -10.335
   14    H    MED   2           H        DME   2   7.849   9.547  -5.994
   15    HA   MED   2           HA       DME   2   6.295  11.865  -6.571
   16   1HB   MED   2          1HB       DME   2   8.633  11.192  -4.941
   17   2HB   MED   2          2HB       DME   2   7.612  12.426  -4.215
   18   1HG   MED   2          1HG       DME   2   7.800  13.242  -6.831
   19   2HG   MED   2          2HG       DME   2   9.401  12.584  -6.499
   20   1HE   MED   2          1HE       DME   2   7.278  14.396  -3.486
   21   2HE   MED   2          2HE       DME   2   6.577  14.655  -5.084
   22   3HE   MED   2          3HE       DME   2   7.348  15.993  -4.231
   23    H    PHE   3           H        PHE   3   4.147  11.348  -6.108
   24    HA   PHE   3           HA       PHE   3   3.531  11.108  -3.237
   25   1HB   PHE   3          2HB       PHE   3   2.750  13.096  -5.101
   26   2HB   PHE   3          1HB       PHE   3   1.309  12.167  -4.703
   27    HD1  PHE   3           1HD      PHE   3   0.662  11.913  -2.288
   28    HD2  PHE   3           2HD      PHE   3   3.640  14.656  -3.598
   29    HE1  PHE   3           1HE      PHE   3   0.439  13.158  -0.177
   30    HE2  PHE   3           2HE      PHE   3   3.423  15.906  -1.490
   31    HZ   PHE   3           HZ       PHE   3   1.822  15.157   0.224
   32    H    PHE   4           H        PHE   4   3.436   9.456  -6.110
   33    HA   PHE   4           HA       PHE   4   2.416   7.546  -6.795
   34   1HB   PHE   4          2HB       PHE   4   1.414   7.423  -3.942
   35   2HB   PHE   4          1HB       PHE   4   1.399   6.093  -5.096
   36    HD1  PHE   4           1HD      PHE   4   3.001   7.191  -2.317
   37    HD2  PHE   4           2HD      PHE   4   3.903   5.893  -6.268
   38    HE1  PHE   4           1HE      PHE   4   5.257   6.535  -1.583
   39    HE2  PHE   4           2HE      PHE   4   6.159   5.234  -5.542
   40    HZ   PHE   4           HZ       PHE   4   6.839   5.555  -3.196
   41    H    GLU   5           H        GLU   5   0.882   7.934  -8.253
   42    HA   GLU   5           HA       GLU   5  -1.544   9.343  -7.555
   43   1HB   GLU   5          2HB       GLU   5  -2.088   9.090  -9.962
   44   2HB   GLU   5          1HB       GLU   5  -0.517   9.834  -9.690
   45   1HG   GLU   5          2HG       GLU   5   0.640   7.945 -10.387
   46   2HG   GLU   5          1HG       GLU   5  -0.758   6.892 -10.167
   47    H    MET   6           H        MET   6  -1.768   7.328  -5.977
   48    HA   MET   6           HA       MET   6  -3.586   5.441  -7.322
   49   1HB   MET   6          2HB       MET   6  -1.686   4.876  -5.040
   50   2HB   MET   6          1HB       MET   6  -2.908   3.752  -5.618
   51   1HG   MET   6          2HG       MET   6  -1.737   4.061  -7.911
   52   2HG   MET   6          1HG       MET   6  -0.390   4.653  -6.941
   53   1HE   MET   6          1HE       MET   6   1.098   3.610  -5.865
   54   2HE   MET   6          2HE       MET   6   1.517   1.909  -6.065
   55   3HE   MET   6          3HE       MET   6   0.596   2.431  -4.654
   56    H    GLN   7           H        GLN   7  -4.818   4.217  -5.346
   57    HA   GLN   7           HA       GLN   7  -6.042   6.389  -3.779
   58   1HB   GLN   7          2HB       GLN   7  -7.184   3.967  -5.118
   59   2HB   GLN   7          1HB       GLN   7  -7.999   4.641  -3.715
   60   1HG   GLN   7          2HG       GLN   7  -7.280   6.323  -6.089
   61   2HG   GLN   7          1HG       GLN   7  -8.778   5.397  -6.014
   62   1HE2  GLN   7          1HE2      GLN   7 -10.425   6.620  -5.479
   63   2HE2  GLN   7          2HE2      GLN   7 -10.412   7.919  -4.341
   64    H    ALA   8           H        ALA   8  -7.446   5.131  -1.915
   65    HA   ALA   8           HA       ALA   8  -5.383   3.826  -0.298
   66   1HB   ALA   8          1HB       ALA   8  -7.421   4.227   1.430
   67   2HB   ALA   8          2HB       ALA   8  -7.715   5.528   0.277
   68   3HB   ALA   8          3HB       ALA   8  -6.159   5.414   1.099
   69    H    CYS   9           H        CYS   9  -5.576   1.787   0.491
   70    HA   CYS   9           HA       CYS   9  -7.167  -0.086  -0.820
   71   1HB   CYS   9          2HB       CYS   9  -5.041  -0.407   0.642
   72   2HB   CYS   9          1HB       CYS   9  -6.175  -0.558   1.976
   73    H    TRP  10           H        TRP  10  -7.853   1.898   1.942
   74    HA   TRP  10           HA       TRP  10 -10.159   0.339   2.740
   75   1HB   TRP  10          2HB       TRP  10 -10.361   2.837   3.983
   76   2HB   TRP  10          1HB       TRP  10  -9.730   1.367   4.691
   77    HD1  TRP  10           HD       TRP  10  -6.920   1.061   4.349
   78    HE1  TRP  10           1HE      TRP  10  -5.127   2.907   4.500
   79    HE3  TRP  10           3HE      TRP  10  -9.912   5.096   3.668
   80    HZ2  TRP  10           2HZ      TRP  10  -5.016   5.739   4.345
   81    HZ3  TRP  10           3HZ      TRP  10  -8.914   7.354   3.675
   82    HH2  TRP  10           HH       TRP  10  -6.511   7.664   4.010
   83    H    SER  11           H        SER  11  -9.485   3.319   1.000
   84    HA   SER  11           HA       SER  11 -12.087   4.312   0.798
   85   1HB   SER  11          2HB       SER  11  -9.665   5.191  -0.025
   86   2HB   SER  11          1HB       SER  11 -10.341   4.670  -1.568
   87    HG   SER  11           HG       SER  11 -12.152   6.008  -1.123
   88    H    HIS  12           H        HIS  12 -10.503   1.709  -0.881
   89    HA   HIS  12           HA       HIS  12 -12.786   1.456  -2.713
   90   1HB   HIS  12          2HB       HIS  12 -10.243   1.471  -3.430
   91   2HB   HIS  12          1HB       HIS  12 -10.334  -0.228  -2.981
   92    HD1  HIS  12           1HD      HIS  12 -13.395  -0.416  -4.071
   93    HD2  HIS  12           2HD      HIS  12 -10.014   0.814  -6.149
   94    HE1  HIS  12           1HE      HIS  12 -13.931  -0.778  -6.501
   95    HE2  HIS  12           2HE      HIS  12 -11.838  -0.110  -7.733
   96    H    SER  13           H        SER  13 -11.615   0.200   0.170
   97    HA   SER  13           HA       SER  13 -12.337  -1.505   1.493
   98   1HB   SER  13          2HB       SER  13 -14.582  -0.971   0.419
   99   2HB   SER  13          1HB       SER  13 -14.259  -2.296  -0.699
  100    HG   SER  13           HG       SER  13 -15.470  -2.671   1.413
  101    H    GLY  14           H        GLY  14 -10.267  -2.454   1.204
  102   1HA   GLY  14          2HA       GLY  14 -10.388  -4.964  -0.329
  103   2HA   GLY  14          1HA       GLY  14  -8.993  -3.907  -0.491
  104    H    VAL  15           H        VAL  15  -7.794  -5.821   0.235
  105    HA   VAL  15           HA       VAL  15  -7.630  -5.844   3.161
  106    HB   VAL  15           HB       VAL  15  -7.528  -8.401   1.570
  107   1HG1  VAL  15          1HG1      VAL  15  -6.412  -8.882   3.501
  108   2HG1  VAL  15          2HG1      VAL  15  -8.064  -9.192   4.036
  109   3HG1  VAL  15          3HG1      VAL  15  -7.278  -7.664   4.438
  110   1HG2  VAL  15          1HG2      VAL  15  -9.770  -8.750   2.899
  111   2HG2  VAL  15          2HG2      VAL  15  -9.762  -7.929   1.338
  112   3HG2  VAL  15          3HG2      VAL  15  -9.831  -6.988   2.828
  113    H    CYS  16           H        CYS  16  -5.610  -6.657   3.992
  114    HA   CYS  16           HA       CYS  16  -3.388  -6.138   2.153
  115   1HB   CYS  16          2HB       CYS  16  -3.910  -5.434   4.836
  116   2HB   CYS  16          1HB       CYS  16  -2.545  -6.533   4.870
  117    H    ARG  17           H        ARG  17  -3.003  -8.002   1.118
  118    HA   ARG  17           HA       ARG  17  -2.634 -10.445   2.716
  119   1HB   ARG  17          2HB       ARG  17  -2.894 -10.329  -0.281
  120   2HB   ARG  17          1HB       ARG  17  -3.096 -11.722   0.774
  121   1HG   ARG  17          2HG       ARG  17  -4.951  -9.770   1.614
  122   2HG   ARG  17          1HG       ARG  17  -5.049  -9.864  -0.144
  123   1HD   ARG  17          2HD       ARG  17  -6.266 -11.711   0.056
  124   2HD   ARG  17          1HD       ARG  17  -4.880 -12.515   0.792
  125    HE   ARG  17           HE       ARG  17  -5.973 -11.174   2.865
  126   1HH1  ARG  17          1HH1      ARG  17  -7.294 -13.367   0.493
  127   2HH1  ARG  17          2HH1      ARG  17  -8.521 -13.973   1.554
  128   1HH2  ARG  17          1HH2      ARG  17  -7.588 -11.969   4.261
  129   2HH2  ARG  17          2HH2      ARG  17  -8.688 -13.180   3.692
  130    H    ASP  18           H        ASP  18  -0.849 -11.831   2.273
  131    HA   ASP  18           HA       ASP  18   1.608 -10.510   2.092
  132   1HB   ASP  18          2HB       ASP  18   0.769 -13.385   2.029
  133   2HB   ASP  18          1HB       ASP  18   2.441 -12.965   1.667
  134    H    LYS  19           H        LYS  19   2.815  -9.888   0.446
  135    HA   LYS  19           HA       LYS  19   1.931  -9.904  -2.196
  136   1HB   LYS  19          2HB       LYS  19   4.248  -9.188  -2.765
  137   2HB   LYS  19          1HB       LYS  19   3.524  -8.263  -1.458
  138   1HG   LYS  19          2HG       LYS  19   5.497  -8.623  -0.457
  139   2HG   LYS  19          1HG       LYS  19   4.781 -10.182  -0.046
  140   1HD   LYS  19          2HD       LYS  19   6.726 -10.922  -0.969
  141   2HD   LYS  19          1HD       LYS  19   5.753 -10.816  -2.438
  142   1HE   LYS  19          2HE       LYS  19   7.608  -8.669  -1.415
  143   2HE   LYS  19          1HE       LYS  19   7.990  -9.812  -2.703
  144   1HZ   LYS  19          1HZ       LYS  19   6.099  -8.911  -3.961
  145   2HZ   LYS  19          2HZ       LYS  19   7.274  -7.738  -3.644
  146   3HZ   LYS  19          3HZ       LYS  19   5.842  -7.762  -2.745
  147    H    SER  20           H        SER  20   3.591 -12.334  -0.407
  148    HA   SER  20           HA       SER  20   4.456 -13.733  -2.816
  149   1HB   SER  20          2HB       SER  20   5.443 -13.585  -0.187
  150   2HB   SER  20          1HB       SER  20   4.852 -15.234  -0.380
  151    HG   SER  20           HG       SER  20   6.367 -15.623  -1.815
  152    H    GLU  21           H        GLU  21   1.563 -13.377  -1.850
  153    HA   GLU  21           HA       GLU  21   0.748 -16.088  -1.357
  154   1HB   GLU  21          2HB       GLU  21  -0.395 -14.417  -0.111
  155   2HB   GLU  21          1HB       GLU  21  -0.718 -13.459  -1.550
  156   1HG   GLU  21          2HG       GLU  21  -2.449 -14.761  -2.192
  157   2HG   GLU  21          1HG       GLU  21  -1.758 -16.202  -1.459
  158    H    ARG  22           H        ARG  22   0.013 -17.420  -2.836
  159    HA   ARG  22           HA       ARG  22   0.011 -16.592  -5.616
  160   1HB   ARG  22          2HB       ARG  22   0.420 -19.059  -4.150
  161   2HB   ARG  22          1HB       ARG  22  -0.685 -19.290  -5.497
  162   1HG   ARG  22          2HG       ARG  22   1.541 -17.717  -6.358
  163   2HG   ARG  22          1HG       ARG  22   2.121 -19.175  -5.552
  164   1HD   ARG  22          2HD       ARG  22   0.115 -19.084  -7.804
  165   2HD   ARG  22          1HD       ARG  22   1.816 -19.521  -7.961
  166    HE   ARG  22           HE       ARG  22   0.898 -21.257  -6.099
  167   1HH1  ARG  22          1HH1      ARG  22  -0.188 -20.388  -9.300
  168   2HH1  ARG  22          2HH1      ARG  22  -0.856 -21.950  -9.632
  169   1HH2  ARG  22          1HH2      ARG  22   0.019 -23.313  -6.535
  170   2HH2  ARG  22          2HH2      ARG  22  -0.740 -23.611  -8.063
  171    H    ASN  23           H        ASN  23  -2.283 -16.731  -3.204
  172    HA   ASN  23           HA       ASN  23  -4.440 -17.078  -5.180
  173   1HB   ASN  23          2HB       ASN  23  -4.062 -18.763  -3.112
  174   2HB   ASN  23          1HB       ASN  23  -5.057 -17.548  -2.315
  175   1HD2  ASN  23          1HD2      ASN  23  -6.188 -19.866  -2.375
  176   2HD2  ASN  23          2HD2      ASN  23  -7.399 -19.997  -3.599
  177    H    CYS  24           H        CYS  24  -3.932 -14.704  -5.404
  178    HA   CYS  24           HA       CYS  24  -5.762 -13.218  -3.687
  179   1HB   CYS  24          2HB       CYS  24  -3.164 -13.090  -3.036
  180   2HB   CYS  24          1HB       CYS  24  -3.194 -11.845  -4.280
  181    H    LYS  25           H        LYS  25  -6.390 -11.150  -4.584
  182    HA   LYS  25           HA       LYS  25  -6.097 -11.079  -7.514
  183   1HB   LYS  25          2HB       LYS  25  -8.418 -11.116  -5.896
  184   2HB   LYS  25          1HB       LYS  25  -8.316  -9.503  -6.586
  185   1HG   LYS  25          2HG       LYS  25  -7.838 -11.705  -8.471
  186   2HG   LYS  25          1HG       LYS  25  -9.470 -11.610  -7.806
  187   1HD   LYS  25          2HD       LYS  25  -9.928  -9.650  -8.859
  188   2HD   LYS  25          1HD       LYS  25  -8.266  -9.072  -8.736
  189   1HE   LYS  25          2HE       LYS  25  -8.739  -9.456 -11.045
  190   2HE   LYS  25          1HE       LYS  25  -7.640 -10.722 -10.500
  191   1HZ   LYS  25          1HZ       LYS  25  -9.232 -12.315 -10.685
  192   2HZ   LYS  25          2HZ       LYS  25  -9.778 -11.269 -11.897
  193   3HZ   LYS  25          3HZ       LYS  25 -10.514 -11.255 -10.374
  194    HA   PRO  26           HA       PRO  26  -3.620  -7.475  -5.924
  195   1HB   PRO  26          2HB       PRO  26  -2.937  -7.686  -8.827
  196   2HB   PRO  26          1HB       PRO  26  -1.885  -7.359  -7.445
  197   1HG   PRO  26          2HG       PRO  26  -1.936  -9.770  -8.573
  198   2HG   PRO  26          1HG       PRO  26  -1.793  -9.586  -6.816
  199   1HD   PRO  26          2HD       PRO  26  -4.125 -10.447  -8.446
  200   2HD   PRO  26          1HD       PRO  26  -3.666 -10.904  -6.794
  201    H    MET  27           H        MET  27  -4.609  -5.581  -5.773
  202    HA   MET  27           HA       MET  27  -6.266  -4.648  -8.019
  203   1HB   MET  27          2HB       MET  27  -7.104  -5.017  -5.508
  204   2HB   MET  27          1HB       MET  27  -6.472  -3.386  -5.332
  205   1HG   MET  27          2HG       MET  27  -8.077  -2.469  -6.647
  206   2HG   MET  27          1HG       MET  27  -8.256  -3.917  -7.635
  207   1HE   MET  27          1HE       MET  27 -10.263  -3.047  -3.603
  208   2HE   MET  27          2HE       MET  27  -9.946  -1.815  -4.825
  209   3HE   MET  27          3HE       MET  27  -8.602  -2.630  -4.023
  210    H    ALA  28           H        ALA  28  -5.264  -3.190  -9.242
  211    HA   ALA  28           HA       ALA  28  -3.002  -1.707  -8.339
  212   1HB   ALA  28          1HB       ALA  28  -3.958  -2.460 -10.789
  213   2HB   ALA  28          2HB       ALA  28  -2.644  -1.317 -10.511
  214   3HB   ALA  28          3HB       ALA  28  -4.286  -0.727 -10.773
  215    H    TRP  29           H        TRP  29  -3.195   0.788  -9.283
  216    HA   TRP  29           HA       TRP  29  -3.706   2.867  -8.503
  217   1HB   TRP  29          2HB       TRP  29  -6.602   2.198  -8.770
  218   2HB   TRP  29          1HB       TRP  29  -5.716   3.615  -9.318
  219    HD1  TRP  29           HD       TRP  29  -7.481   0.866 -10.760
  220    HE1  TRP  29           1HE      TRP  29  -6.638   0.290 -13.123
  221    HE3  TRP  29           3HE      TRP  29  -3.032   3.384 -10.671
  222    HZ2  TRP  29           2HZ      TRP  29  -4.383   0.830 -14.736
  223    HZ3  TRP  29           3HZ      TRP  29  -1.591   3.303 -12.664
  224    HH2  TRP  29           HH       TRP  29  -2.254   2.052 -14.653
  225    H    THR  30           H        THR  30  -3.240   1.219  -6.358
  226    HA   THR  30           HA       THR  30  -4.422   2.620  -4.249
  227    HB   THR  30           HB       THR  30  -6.465   1.449  -4.701
  228    HG1  THR  30           1HG      THR  30  -5.726   1.572  -2.477
  229   1HG2  THR  30          1HG2      THR  30  -5.684  -1.258  -4.141
  230   2HG2  THR  30          2HG2      THR  30  -4.864  -0.649  -5.580
  231   3HG2  THR  30          3HG2      THR  30  -6.624  -0.611  -5.485
  232    H    TYR  31           H        TYR  31  -3.373   2.254  -2.342
  233    HA   TYR  31           HA       TYR  31  -1.377   0.085  -2.344
  234   1HB   TYR  31          2HB       TYR  31   0.035   1.566  -0.943
  235   2HB   TYR  31          1HB       TYR  31  -0.280   2.244  -2.538
  236    HD1  TYR  31           1HD      TYR  31  -1.451   4.304  -2.789
  237    HD2  TYR  31           2HD      TYR  31  -1.148   2.482   1.044
  238    HE1  TYR  31           1HE      TYR  31  -2.290   6.368  -1.747
  239    HE2  TYR  31           2HE      TYR  31  -1.986   4.541   2.096
  240    HH   TYR  31           HH       TYR  31  -3.257   6.508   1.539
  241    H    CYS  32           H        CYS  32  -0.755  -0.697  -0.180
  242    HA   CYS  32           HA       CYS  32  -3.113  -0.808   1.557
  243   1HB   CYS  32          2HB       CYS  32  -1.597  -2.831   0.573
  244   2HB   CYS  32          1HB       CYS  32  -0.811  -2.573   2.126
  245    H    GLU  33           H        GLU  33  -2.226  -1.415   3.965
  246    HA   GLU  33           HA       GLU  33  -1.121   1.057   4.901
  247   1HB   GLU  33          2HB       GLU  33  -2.155  -1.435   6.196
  248   2HB   GLU  33          1HB       GLU  33  -1.212  -0.297   7.150
  249   1HG   GLU  33          2HG       GLU  33  -2.884   1.178   7.270
  250   2HG   GLU  33          1HG       GLU  33  -3.336   0.951   5.581
  251    H    ASN  34           H        ASN  34   0.015  -2.289   4.708
  252    HA   ASN  34           HA       ASN  34   2.580  -1.553   5.869
  253   1HB   ASN  34          2HB       ASN  34   1.466  -3.708   6.454
  254   2HB   ASN  34          1HB       ASN  34   1.687  -4.232   4.787
  255   1HD2  ASN  34          1HD2      ASN  34   3.764  -2.562   7.130
  256   2HD2  ASN  34          2HD2      ASN  34   5.080  -3.675   7.012
  257    H    ARG  35           H        ARG  35   4.568  -1.740   4.801
  258    HA   ARG  35           HA       ARG  35   4.414  -1.213   1.953
  259   1HB   ARG  35          2HB       ARG  35   6.152  -0.462   4.085
  260   2HB   ARG  35          1HB       ARG  35   7.112  -1.280   2.860
  261   1HG   ARG  35          2HG       ARG  35   5.197   0.885   2.094
  262   2HG   ARG  35          1HG       ARG  35   6.800   1.275   2.721
  263   1HD   ARG  35          2HD       ARG  35   7.720   0.854   0.742
  264   2HD   ARG  35          1HD       ARG  35   7.026  -0.767   0.727
  265    HE   ARG  35           HE       ARG  35   5.371  -0.018  -0.675
  266   1HH1  ARG  35          1HH1      ARG  35   7.069   2.725   0.659
  267   2HH1  ARG  35          2HH1      ARG  35   6.303   3.868  -0.391
  268   1HH2  ARG  35          1HH2      ARG  35   4.363   1.485  -2.056
  269   2HH2  ARG  35          2HH2      ARG  35   4.766   3.164  -1.933
  270    H    ASN  36           H        ASN  36   4.366  -3.978   3.572
  271    HA   ASN  36           HA       ASN  36   6.136  -5.361   1.664
  272   1HB   ASN  36          2HB       ASN  36   6.616  -5.453   4.240
  273   2HB   ASN  36          1HB       ASN  36   5.289  -6.610   4.257
  274   1HD2  ASN  36          1HD2      ASN  36   8.003  -5.974   2.059
  275   2HD2  ASN  36          2HD2      ASN  36   8.595  -7.596   2.049
  276    H    GLN  37           H        GLN  37   2.978  -5.005   2.952
  277    HA   GLN  37           HA       GLN  37   2.015  -7.437   1.644
  278   1HB   GLN  37          2HB       GLN  37   1.417  -6.405   4.081
  279   2HB   GLN  37          1HB       GLN  37   0.143  -5.691   3.113
  280   1HG   GLN  37          2HG       GLN  37  -0.799  -7.738   2.602
  281   2HG   GLN  37          1HG       GLN  37   0.693  -8.614   2.935
  282   1HE2  GLN  37          1HE2      GLN  37  -0.699 -10.015   4.192
  283   2HE2  GLN  37          2HE2      GLN  37  -1.098  -9.577   5.816
  284    H    LYS  38           H        LYS  38   0.206  -7.327   0.196
  285    HA   LYS  38           HA       LYS  38   0.099  -4.784  -1.267
  286   1HB   LYS  38          2HB       LYS  38  -1.122  -7.112  -2.565
  287   2HB   LYS  38          1HB       LYS  38   0.023  -5.940  -3.198
  288   1HG   LYS  38          2HG       LYS  38   1.661  -7.308  -1.586
  289   2HG   LYS  38          1HG       LYS  38   0.490  -8.574  -1.955
  290   1HD   LYS  38          2HD       LYS  38   1.406  -6.983  -4.257
  291   2HD   LYS  38          1HD       LYS  38   2.635  -7.994  -3.497
  292   1HE   LYS  38          2HE       LYS  38   1.767  -9.842  -4.384
  293   2HE   LYS  38          1HE       LYS  38   0.154  -9.435  -3.803
  294   1HZ   LYS  38          1HZ       LYS  38  -0.407  -8.458  -5.761
  295   2HZ   LYS  38          2HZ       LYS  38   0.693  -9.598  -6.352
  296   3HZ   LYS  38          3HZ       LYS  38   1.176  -7.992  -6.134
  297    H    CYS  39           H        CYS  39  -2.010  -4.336  -2.377
  298    HA   CYS  39           HA       CYS  39  -4.207  -4.798  -0.487
  299   1HB   CYS  39          2HB       CYS  39  -3.660  -2.447  -0.847
  300   2HB   CYS  39          1HB       CYS  39  -3.838  -2.649  -2.586
  301    H    CYS  40           H        CYS  40  -5.352  -6.515  -1.091
  302    HA   CYS  40           HA       CYS  40  -5.838  -7.017  -3.928
  303   1HB   CYS  40          2HB       CYS  40  -5.764  -8.655  -1.464
  304   2HB   CYS  40          1HB       CYS  40  -6.934  -9.136  -2.679
  305    H    GLU  41           H        GLU  41  -8.033  -7.821  -4.511
  306    HA   GLU  41           HA       GLU  41  -9.996  -5.908  -3.833
  307   1HB   GLU  41          2HB       GLU  41  -9.955  -7.048  -6.003
  308   2HB   GLU  41          1HB       GLU  41 -10.309  -8.579  -5.216
  309   1HG   GLU  41          2HG       GLU  41 -12.498  -8.111  -4.979
  310   2HG   GLU  41          1HG       GLU  41 -12.213  -6.394  -4.695
  311    H    TYR  42           H        TYR  42 -10.127  -9.438  -3.317
  312    HA   TYR  42           HA       TYR  42 -11.615  -8.915  -0.829
  313   1HB   TYR  42          2HB       TYR  42 -12.468 -10.339  -3.131
  314   2HB   TYR  42          1HB       TYR  42 -12.214 -11.524  -1.853
  315    HD1  TYR  42           1HD      TYR  42 -13.635  -8.064  -2.051
  316    HD2  TYR  42           2HD      TYR  42 -14.141 -12.076  -0.727
  317    HE1  TYR  42           1HE      TYR  42 -15.808  -7.460  -1.071
  318    HE2  TYR  42           2HE      TYR  42 -16.315 -11.483   0.256
  319    HH   TYR  42           HH       TYR  42 -17.328  -9.050   1.156
  Start of MODEL   15
    1   1H    ILE   1          1HT       ILE   1  -7.360  11.941 -15.781
    2   2H    ILE   1          2HT       ILE   1  -8.393  10.652 -15.311
    3   3H    ILE   1          3HT       ILE   1  -6.785  10.327 -15.817
    4    HA   ILE   1           HA       ILE   1  -7.344  12.057 -13.529
    5    HB   ILE   1           HB       ILE   1  -6.896   9.984 -12.131
    6   1HG1  ILE   1          2HG1      ILE   1  -8.091   8.330 -14.279
    7   2HG1  ILE   1          1HG1      ILE   1  -6.396   8.761 -14.488
    8   1HG2  ILE   1          1HG2      ILE   1  -9.032  10.622 -11.788
    9   2HG2  ILE   1          2HG2      ILE   1  -9.395   9.166 -12.713
   10   3HG2  ILE   1          3HG2      ILE   1  -9.387  10.739 -13.511
   11   1HD1  ILE   1          1HD1      ILE   1  -7.677   6.989 -12.502
   12   2HD1  ILE   1          2HD1      ILE   1  -6.289   7.936 -11.966
   13   3HD1  ILE   1          3HD1      ILE   1  -6.131   6.836 -13.336
   14    H    MED   2           H        DME   2  -5.341  12.058 -15.664
   15    HA   MED   2           HA       DME   2  -3.026  12.362 -14.086
   16   1HB   MED   2          1HB       DME   2  -3.770  13.227 -16.543
   17   2HB   MED   2          2HB       DME   2  -2.651  11.946 -16.989
   18   1HG   MED   2          1HG       DME   2  -1.198  13.204 -15.110
   19   2HG   MED   2          2HG       DME   2  -2.145  14.555 -15.729
   20   1HE   MED   2          1HE       DME   2   0.819  15.552 -17.143
   21   2HE   MED   2          2HE       DME   2   1.627  14.026 -16.787
   22   3HE   MED   2          3HE       DME   2   0.538  14.744 -15.600
   23    H    PHE   3           H        PHE   3  -0.964  11.231 -14.389
   24    HA   PHE   3           HA       PHE   3  -1.391   8.347 -14.799
   25   1HB   PHE   3          2HB       PHE   3  -0.072   9.513 -16.642
   26   2HB   PHE   3          1HB       PHE   3   1.193   9.766 -15.443
   27    HD1  PHE   3           1HD      PHE   3   2.818   8.153 -15.142
   28    HD2  PHE   3           2HD      PHE   3  -0.871   7.069 -16.965
   29    HE1  PHE   3           1HE      PHE   3   3.716   5.911 -15.615
   30    HE2  PHE   3           2HE      PHE   3   0.019   4.824 -17.441
   31    HZ   PHE   3           HZ       PHE   3   2.315   4.244 -16.765
   32    H    PHE   4           H        PHE   4  -1.496   9.912 -12.349
   33    HA   PHE   4           HA       PHE   4   0.059   8.240 -10.689
   34   1HB   PHE   4          2HB       PHE   4   1.722  10.020 -11.673
   35   2HB   PHE   4          1HB       PHE   4   0.990  11.078 -10.473
   36    HD1  PHE   4           1HD      PHE   4   0.802   9.947  -8.057
   37    HD2  PHE   4           2HD      PHE   4   3.622   8.900 -11.066
   38    HE1  PHE   4           1HE      PHE   4   2.293   9.025  -6.332
   39    HE2  PHE   4           2HE      PHE   4   5.119   7.975  -9.346
   40    HZ   PHE   4           HZ       PHE   4   4.455   8.038  -6.976
   41    H    GLU   5           H        GLU   5  -1.799   7.939  -9.534
   42    HA   GLU   5           HA       GLU   5  -2.387   9.725  -7.451
   43   1HB   GLU   5          2HB       GLU   5  -3.481  10.717  -9.686
   44   2HB   GLU   5          1HB       GLU   5  -4.769   9.614  -9.224
   45   1HG   GLU   5          2HG       GLU   5  -4.789  10.699  -6.979
   46   2HG   GLU   5          1HG       GLU   5  -3.649  11.887  -7.608
   47    H    MET   6           H        MET   6  -1.965   7.511  -6.656
   48    HA   MET   6           HA       MET   6  -3.889   5.447  -7.086
   49   1HB   MET   6          2HB       MET   6  -1.937   5.686  -4.794
   50   2HB   MET   6          1HB       MET   6  -2.699   4.218  -5.391
   51   1HG   MET   6          2HG       MET   6  -1.251   3.996  -7.099
   52   2HG   MET   6          1HG       MET   6  -1.115   5.734  -7.356
   53   1HE   MET   6          1HE       MET   6   1.725   4.605  -7.735
   54   2HE   MET   6          2HE       MET   6   0.905   3.132  -7.216
   55   3HE   MET   6          3HE       MET   6   2.361   3.671  -6.381
   56    H    GLN   7           H        GLN   7  -4.557   4.422  -4.689
   57    HA   GLN   7           HA       GLN   7  -5.885   6.527  -3.154
   58   1HB   GLN   7          2HB       GLN   7  -7.256   4.305  -4.641
   59   2HB   GLN   7          1HB       GLN   7  -7.977   4.993  -3.193
   60   1HG   GLN   7          2HG       GLN   7  -7.314   6.430  -5.750
   61   2HG   GLN   7          1HG       GLN   7  -8.916   6.057  -5.116
   62   1HE2  GLN   7          1HE2      GLN   7  -6.996   8.528  -5.633
   63   2HE2  GLN   7          2HE2      GLN   7  -7.366   9.542  -4.285
   64    H    ALA   8           H        ALA   8  -7.286   5.216  -1.356
   65    HA   ALA   8           HA       ALA   8  -5.274   3.635   0.045
   66   1HB   ALA   8          1HB       ALA   8  -7.895   4.496   1.215
   67   2HB   ALA   8          2HB       ALA   8  -6.552   5.626   1.052
   68   3HB   ALA   8          3HB       ALA   8  -6.366   4.172   2.031
   69    H    CYS   9           H        CYS   9  -5.542   1.546   0.686
   70    HA   CYS   9           HA       CYS   9  -7.214  -0.136  -0.808
   71   1HB   CYS   9          2HB       CYS   9  -5.035  -0.673   0.484
   72   2HB   CYS   9          1HB       CYS   9  -6.092  -0.924   1.866
   73    H    TRP  10           H        TRP  10  -7.724   1.549   2.173
   74    HA   TRP  10           HA       TRP  10 -10.019  -0.037   2.934
   75   1HB   TRP  10          2HB       TRP  10 -10.129   2.342   4.397
   76   2HB   TRP  10          1HB       TRP  10  -9.476   0.815   4.942
   77    HD1  TRP  10           HD       TRP  10  -6.690   0.526   4.450
   78    HE1  TRP  10           1HE      TRP  10  -4.876   2.346   4.665
   79    HE3  TRP  10           3HE      TRP  10  -9.676   4.616   4.236
   80    HZ2  TRP  10           2HZ      TRP  10  -4.749   5.181   4.733
   81    HZ3  TRP  10           3HZ      TRP  10  -8.661   6.863   4.380
   82    HH2  TRP  10           HH       TRP  10  -6.242   7.134   4.626
   83    H    SER  11           H        SER  11  -9.458   3.281   1.791
   84    HA   SER  11           HA       SER  11 -12.137   4.060   1.619
   85   1HB   SER  11          2HB       SER  11 -10.324   5.680   1.486
   86   2HB   SER  11          1HB       SER  11  -9.767   4.970  -0.030
   87    HG   SER  11           HG       SER  11 -12.023   6.549   0.483
   88    H    HIS  12           H        HIS  12 -10.273   1.960  -0.383
   89    HA   HIS  12           HA       HIS  12 -12.254   2.086  -2.538
   90   1HB   HIS  12          2HB       HIS  12  -9.679   2.133  -2.893
   91   2HB   HIS  12          1HB       HIS  12  -9.772   0.398  -2.608
   92    HD1  HIS  12           1HD      HIS  12 -10.416  -1.029  -4.557
   93    HD2  HIS  12           2HD      HIS  12 -11.238   2.993  -5.201
   94    HE1  HIS  12           1HE      HIS  12 -11.124  -0.863  -6.964
   95    HE2  HIS  12           2HE      HIS  12 -11.700   1.565  -7.306
   96    H    SER  13           H        SER  13 -12.135   0.568   0.278
   97    HA   SER  13           HA       SER  13 -12.929  -1.379   1.147
   98   1HB   SER  13          2HB       SER  13 -14.946  -2.226   0.171
   99   2HB   SER  13          1HB       SER  13 -14.940  -0.482  -0.089
  100    HG   SER  13           HG       SER  13 -15.191  -2.352  -1.904
  101    H    GLY  14           H        GLY  14 -10.770  -2.313   0.849
  102   1HA   GLY  14          2HA       GLY  14 -10.926  -4.667  -0.906
  103   2HA   GLY  14          1HA       GLY  14  -9.502  -3.641  -0.983
  104    H    VAL  15           H        VAL  15  -8.277  -5.535  -0.389
  105    HA   VAL  15           HA       VAL  15  -8.184  -5.874   2.521
  106    HB   VAL  15           HB       VAL  15  -7.930  -8.249   0.681
  107   1HG1  VAL  15          1HG1      VAL  15  -6.949  -8.930   2.613
  108   2HG1  VAL  15          2HG1      VAL  15  -8.627  -9.265   3.043
  109   3HG1  VAL  15          3HG1      VAL  15  -7.851  -7.785   3.606
  110   1HG2  VAL  15          1HG2      VAL  15 -10.197  -7.395   0.461
  111   2HG2  VAL  15          2HG2      VAL  15 -10.371  -7.361   2.216
  112   3HG2  VAL  15          3HG2      VAL  15 -10.191  -8.902   1.377
  113    H    CYS  16           H        CYS  16  -6.111  -6.889   3.231
  114    HA   CYS  16           HA       CYS  16  -3.940  -6.339   1.318
  115   1HB   CYS  16          2HB       CYS  16  -4.211  -5.510   4.190
  116   2HB   CYS  16          1HB       CYS  16  -2.619  -5.712   3.465
  117    H    ARG  17           H        ARG  17  -3.119  -8.249   0.786
  118    HA   ARG  17           HA       ARG  17  -2.696 -10.238   2.920
  119   1HB   ARG  17          2HB       ARG  17  -2.817 -10.806  -0.041
  120   2HB   ARG  17          1HB       ARG  17  -2.869 -11.966   1.280
  121   1HG   ARG  17          2HG       ARG  17  -5.014 -10.290   1.781
  122   2HG   ARG  17          1HG       ARG  17  -5.016 -10.483   0.028
  123   1HD   ARG  17          2HD       ARG  17  -5.430 -12.731   0.138
  124   2HD   ARG  17          1HD       ARG  17  -4.636 -12.909   1.702
  125    HE   ARG  17           HE       ARG  17  -7.403 -12.315   1.221
  126   1HH1  ARG  17          1HH1      ARG  17  -4.778 -12.027   3.501
  127   2HH1  ARG  17          2HH1      ARG  17  -5.821 -11.892   4.877
  128   1HH2  ARG  17          1HH2      ARG  17  -8.777 -12.139   3.030
  129   2HH2  ARG  17          2HH2      ARG  17  -8.092 -11.957   4.610
  130    H    ASP  18           H        ASP  18  -0.810 -11.756   2.397
  131    HA   ASP  18           HA       ASP  18   1.558 -10.296   2.407
  132   1HB   ASP  18          2HB       ASP  18   1.120 -12.659   3.303
  133   2HB   ASP  18          1HB       ASP  18   1.403 -13.208   1.653
  134    H    LYS  19           H        LYS  19   3.266 -10.225   0.936
  135    HA   LYS  19           HA       LYS  19   2.466  -9.752  -1.765
  136   1HB   LYS  19          2HB       LYS  19   4.890  -9.372  -0.135
  137   2HB   LYS  19          1HB       LYS  19   5.192  -9.672  -1.840
  138   1HG   LYS  19          2HG       LYS  19   3.264  -7.814  -2.038
  139   2HG   LYS  19          1HG       LYS  19   3.999  -7.334  -0.507
  140   1HD   LYS  19          2HD       LYS  19   5.842  -7.961  -2.736
  141   2HD   LYS  19          1HD       LYS  19   4.889  -6.484  -2.885
  142   1HE   LYS  19          2HE       LYS  19   6.082  -6.847  -0.244
  143   2HE   LYS  19          1HE       LYS  19   7.270  -6.731  -1.542
  144   1HZ   LYS  19          1HZ       LYS  19   6.390  -4.597  -0.383
  145   2HZ   LYS  19          2HZ       LYS  19   5.074  -4.781  -1.428
  146   3HZ   LYS  19          3HZ       LYS  19   6.633  -4.604  -2.057
  147    H    SER  20           H        SER  20   3.829 -12.441  -0.067
  148    HA   SER  20           HA       SER  20   4.600 -13.751  -2.568
  149   1HB   SER  20          2HB       SER  20   5.690 -13.732   0.028
  150   2HB   SER  20          1HB       SER  20   5.071 -15.360  -0.228
  151    HG   SER  20           HG       SER  20   7.330 -14.530  -1.051
  152    H    GLU  21           H        GLU  21   1.773 -13.348  -1.602
  153    HA   GLU  21           HA       GLU  21   0.830 -15.945  -0.896
  154   1HB   GLU  21          2HB       GLU  21  -0.188 -13.447  -0.606
  155   2HB   GLU  21          1HB       GLU  21  -1.103 -14.012  -1.993
  156   1HG   GLU  21          2HG       GLU  21  -1.060 -16.076  -0.045
  157   2HG   GLU  21          1HG       GLU  21  -1.514 -14.569   0.749
  158    H    ARG  22           H        ARG  22  -0.528 -17.214  -2.128
  159    HA   ARG  22           HA       ARG  22   0.012 -17.108  -4.999
  160   1HB   ARG  22          2HB       ARG  22  -0.153 -19.234  -2.994
  161   2HB   ARG  22          1HB       ARG  22  -1.003 -19.602  -4.483
  162   1HG   ARG  22          2HG       ARG  22   1.530 -18.500  -5.144
  163   2HG   ARG  22          1HG       ARG  22   1.761 -19.766  -3.939
  164   1HD   ARG  22          2HD       ARG  22   0.737 -21.393  -5.301
  165   2HD   ARG  22          1HD       ARG  22   0.053 -20.176  -6.377
  166    HE   ARG  22           HE       ARG  22   2.007 -20.194  -7.552
  167   1HH1  ARG  22          1HH1      ARG  22   2.613 -21.548  -4.394
  168   2HH1  ARG  22          2HH1      ARG  22   4.242 -22.002  -4.763
  169   1HH2  ARG  22          1HH2      ARG  22   4.150 -20.791  -8.041
  170   2HH2  ARG  22          2HH2      ARG  22   5.115 -21.572  -6.834
  171    H    ASN  23           H        ASN  23  -2.466 -16.665  -2.743
  172    HA   ASN  23           HA       ASN  23  -4.490 -16.961  -4.862
  173   1HB   ASN  23          2HB       ASN  23  -4.577 -18.632  -2.897
  174   2HB   ASN  23          1HB       ASN  23  -5.127 -17.262  -1.936
  175   1HD2  ASN  23          1HD2      ASN  23  -6.966 -18.836  -1.746
  176   2HD2  ASN  23          2HD2      ASN  23  -8.236 -18.694  -2.909
  177    H    CYS  24           H        CYS  24  -3.619 -14.652  -5.124
  178    HA   CYS  24           HA       CYS  24  -5.372 -12.874  -3.574
  179   1HB   CYS  24          2HB       CYS  24  -2.745 -12.900  -3.058
  180   2HB   CYS  24          1HB       CYS  24  -2.736 -11.796  -4.429
  181    H    LYS  25           H        LYS  25  -6.189 -11.097  -4.677
  182    HA   LYS  25           HA       LYS  25  -5.879 -11.215  -7.601
  183   1HB   LYS  25          2HB       LYS  25  -8.141 -10.037  -5.975
  184   2HB   LYS  25          1HB       LYS  25  -8.076 -10.144  -7.729
  185   1HG   LYS  25          2HG       LYS  25  -7.680 -12.726  -6.481
  186   2HG   LYS  25          1HG       LYS  25  -9.203 -11.979  -5.992
  187   1HD   LYS  25          2HD       LYS  25  -9.954 -12.932  -7.901
  188   2HD   LYS  25          1HD       LYS  25  -9.271 -11.479  -8.634
  189   1HE   LYS  25          2HE       LYS  25  -8.559 -13.446  -9.857
  190   2HE   LYS  25          1HE       LYS  25  -7.179 -12.697  -9.055
  191   1HZ   LYS  25          1HZ       LYS  25  -6.943 -14.433  -7.636
  192   2HZ   LYS  25          2HZ       LYS  25  -7.626 -15.275  -8.933
  193   3HZ   LYS  25          3HZ       LYS  25  -8.591 -14.816  -7.622
  194    HA   PRO  26           HA       PRO  26  -3.338  -7.498  -6.643
  195   1HB   PRO  26          2HB       PRO  26  -3.372  -7.685  -9.630
  196   2HB   PRO  26          1HB       PRO  26  -2.031  -7.302  -8.544
  197   1HG   PRO  26          2HG       PRO  26  -2.262  -9.729  -9.622
  198   2HG   PRO  26          1HG       PRO  26  -1.700  -9.517  -7.954
  199   1HD   PRO  26          2HD       PRO  26  -4.306 -10.518  -8.958
  200   2HD   PRO  26          1HD       PRO  26  -3.460 -10.885  -7.442
  201    H    MET  27           H        MET  27  -4.545  -5.797  -6.072
  202    HA   MET  27           HA       MET  27  -6.500  -4.741  -8.003
  203   1HB   MET  27          2HB       MET  27  -6.936  -5.441  -5.407
  204   2HB   MET  27          1HB       MET  27  -6.571  -3.729  -5.233
  205   1HG   MET  27          2HG       MET  27  -8.302  -3.430  -7.140
  206   2HG   MET  27          1HG       MET  27  -8.828  -5.046  -6.673
  207   1HE   MET  27          1HE       MET  27 -11.026  -4.570  -6.175
  208   2HE   MET  27          2HE       MET  27 -11.226  -2.819  -6.240
  209   3HE   MET  27          3HE       MET  27 -11.660  -3.702  -4.777
  210    H    ALA  28           H        ALA  28  -5.383  -3.300  -9.206
  211    HA   ALA  28           HA       ALA  28  -3.312  -1.644  -8.202
  212   1HB   ALA  28          1HB       ALA  28  -2.955  -1.700 -10.405
  213   2HB   ALA  28          2HB       ALA  28  -4.161  -0.419 -10.512
  214   3HB   ALA  28          3HB       ALA  28  -4.638  -2.099 -10.755
  215    H    TRP  29           H        TRP  29  -3.701   0.858  -9.073
  216    HA   TRP  29           HA       TRP  29  -4.424   2.872  -8.335
  217   1HB   TRP  29          2HB       TRP  29  -7.237   1.908  -8.343
  218   2HB   TRP  29          1HB       TRP  29  -6.547   3.380  -9.010
  219    HD1  TRP  29           HD       TRP  29  -8.187   0.459 -10.211
  220    HE1  TRP  29           1HE      TRP  29  -7.511  -0.135 -12.622
  221    HE3  TRP  29           3HE      TRP  29  -3.957   3.308 -10.597
  222    HZ2  TRP  29           2HZ      TRP  29  -5.458   0.516 -14.446
  223    HZ3  TRP  29           3HZ      TRP  29  -2.696   3.264 -12.709
  224    HH2  TRP  29           HH       TRP  29  -3.432   1.897 -14.593
  225    H    THR  30           H        THR  30  -3.643   1.220  -6.241
  226    HA   THR  30           HA       THR  30  -4.720   2.541  -4.026
  227    HB   THR  30           HB       THR  30  -6.706   1.141  -4.478
  228    HG1  THR  30           1HG      THR  30  -5.955   1.678  -2.284
  229   1HG2  THR  30          1HG2      THR  30  -5.525  -0.815  -5.433
  230   2HG2  THR  30          2HG2      THR  30  -6.697  -1.225  -4.180
  231   3HG2  THR  30          3HG2      THR  30  -4.973  -1.219  -3.809
  232    H    TYR  31           H        TYR  31  -3.730   1.900  -2.024
  233    HA   TYR  31           HA       TYR  31  -1.633  -0.133  -2.234
  234   1HB   TYR  31          2HB       TYR  31   0.033   1.394  -1.262
  235   2HB   TYR  31          1HB       TYR  31  -0.548   1.976  -2.818
  236    HD1  TYR  31           1HD      TYR  31  -1.729   4.047  -3.003
  237    HD2  TYR  31           2HD      TYR  31  -0.700   2.507   0.826
  238    HE1  TYR  31           1HE      TYR  31  -2.304   6.210  -1.985
  239    HE2  TYR  31           2HE      TYR  31  -1.271   4.666   1.855
  240    HH   TYR  31           HH       TYR  31  -3.043   7.015   0.337
  241    H    CYS  32           H        CYS  32  -0.568  -0.495  -0.051
  242    HA   CYS  32           HA       CYS  32  -2.648  -0.415   2.030
  243   1HB   CYS  32          2HB       CYS  32  -1.627  -2.632   1.108
  244   2HB   CYS  32          1HB       CYS  32  -0.259  -2.230   2.131
  245    H    GLU  33           H        GLU  33  -1.603  -0.582   4.307
  246    HA   GLU  33           HA       GLU  33  -0.032   1.797   4.661
  247   1HB   GLU  33          2HB       GLU  33  -1.895   0.469   6.190
  248   2HB   GLU  33          1HB       GLU  33  -0.391   0.085   7.014
  249   1HG   GLU  33          2HG       GLU  33   0.119   2.483   7.162
  250   2HG   GLU  33          1HG       GLU  33  -1.423   2.842   6.387
  251    H    ASN  34           H        ASN  34   0.521  -1.650   4.731
  252    HA   ASN  34           HA       ASN  34   3.225  -1.299   5.766
  253   1HB   ASN  34          2HB       ASN  34   1.610  -3.196   6.450
  254   2HB   ASN  34          1HB       ASN  34   2.023  -3.915   4.896
  255   1HD2  ASN  34          1HD2      ASN  34   2.883  -3.606   8.116
  256   2HD2  ASN  34          2HD2      ASN  34   4.463  -4.299   8.029
  257    H    ARG  35           H        ARG  35   5.087  -1.897   4.628
  258    HA   ARG  35           HA       ARG  35   4.835  -1.637   1.743
  259   1HB   ARG  35          2HB       ARG  35   6.776  -0.901   3.707
  260   2HB   ARG  35          1HB       ARG  35   7.550  -1.939   2.518
  261   1HG   ARG  35          2HG       ARG  35   5.851   0.352   1.632
  262   2HG   ARG  35          1HG       ARG  35   7.515   0.621   2.154
  263   1HD   ARG  35          2HD       ARG  35   6.643  -1.275  -0.025
  264   2HD   ARG  35          1HD       ARG  35   7.339   0.324  -0.280
  265    HE   ARG  35           HE       ARG  35   8.738  -2.089   0.428
  266   1HH1  ARG  35          1HH1      ARG  35   8.837   1.400   0.462
  267   2HH1  ARG  35          2HH1      ARG  35  10.564   1.474   0.551
  268   1HH2  ARG  35          1HH2      ARG  35  11.010  -1.992   0.545
  269   2HH2  ARG  35          2HH2      ARG  35  11.798  -0.451   0.598
  270    H    ASN  36           H        ASN  36   4.172  -4.170   3.287
  271    HA   ASN  36           HA       ASN  36   5.708  -5.962   1.561
  272   1HB   ASN  36          2HB       ASN  36   6.515  -5.794   4.070
  273   2HB   ASN  36          1HB       ASN  36   5.129  -6.840   4.360
  274   1HD2  ASN  36          1HD2      ASN  36   7.546  -6.634   1.775
  275   2HD2  ASN  36          2HD2      ASN  36   8.044  -8.282   1.877
  276    H    GLN  37           H        GLN  37   2.876  -4.803   1.929
  277    HA   GLN  37           HA       GLN  37   1.487  -7.360   1.588
  278   1HB   GLN  37          2HB       GLN  37   1.167  -5.617   3.756
  279   2HB   GLN  37          1HB       GLN  37  -0.224  -5.324   2.727
  280   1HG   GLN  37          2HG       GLN  37  -0.917  -7.578   2.859
  281   2HG   GLN  37          1HG       GLN  37   0.622  -8.074   3.564
  282   1HE2  GLN  37          1HE2      GLN  37  -0.874  -9.055   5.145
  283   2HE2  GLN  37          2HE2      GLN  37  -1.391  -8.090   6.482
  284    H    LYS  38           H        LYS  38   0.008  -7.414  -0.052
  285    HA   LYS  38           HA       LYS  38  -0.127  -5.010  -1.728
  286   1HB   LYS  38          2HB       LYS  38  -1.283  -7.326  -2.987
  287   2HB   LYS  38          1HB       LYS  38   0.094  -6.361  -3.492
  288   1HG   LYS  38          2HG       LYS  38   1.377  -7.751  -1.704
  289   2HG   LYS  38          1HG       LYS  38   0.027  -8.871  -1.886
  290   1HD   LYS  38          2HD       LYS  38   1.070  -7.947  -4.441
  291   2HD   LYS  38          1HD       LYS  38   2.290  -8.772  -3.468
  292   1HE   LYS  38          2HE       LYS  38   1.264 -10.775  -3.643
  293   2HE   LYS  38          1HE       LYS  38  -0.351 -10.071  -3.564
  294   1HZ   LYS  38          1HZ       LYS  38   0.094  -9.265  -5.903
  295   2HZ   LYS  38          2HZ       LYS  38  -0.139 -10.930  -5.717
  296   3HZ   LYS  38          3HZ       LYS  38   1.422 -10.312  -5.921
  297    H    CYS  39           H        CYS  39  -2.082  -4.240  -2.546
  298    HA   CYS  39           HA       CYS  39  -4.381  -4.841  -0.866
  299   1HB   CYS  39          2HB       CYS  39  -3.758  -2.490  -1.232
  300   2HB   CYS  39          1HB       CYS  39  -4.011  -2.691  -2.960
  301    H    CYS  40           H        CYS  40  -5.364  -6.632  -1.535
  302    HA   CYS  40           HA       CYS  40  -5.866  -7.045  -4.379
  303   1HB   CYS  40          2HB       CYS  40  -5.783  -8.787  -1.954
  304   2HB   CYS  40          1HB       CYS  40  -6.730  -9.299  -3.338
  305    H    GLU  41           H        GLU  41  -8.027  -8.014  -4.924
  306    HA   GLU  41           HA       GLU  41 -10.092  -6.248  -4.102
  307   1HB   GLU  41          2HB       GLU  41  -9.862  -7.395  -6.359
  308   2HB   GLU  41          1HB       GLU  41 -10.470  -8.850  -5.580
  309   1HG   GLU  41          2HG       GLU  41 -12.046  -6.356  -5.288
  310   2HG   GLU  41          1HG       GLU  41 -12.058  -7.171  -6.851
  311    H    TYR  42           H        TYR  42  -9.782  -9.786  -3.731
  312    HA   TYR  42           HA       TYR  42 -11.462  -9.574  -1.318
  313   1HB   TYR  42          2HB       TYR  42 -12.214 -10.883  -3.544
  314   2HB   TYR  42          1HB       TYR  42 -11.318 -12.169  -2.744
  315    HD1  TYR  42           1HD      TYR  42 -12.803 -13.661  -1.796
  316    HD2  TYR  42           2HD      TYR  42 -13.592  -9.493  -1.458
  317    HE1  TYR  42           1HE      TYR  42 -14.759 -14.151  -0.389
  318    HE2  TYR  42           2HE      TYR  42 -15.551  -9.973  -0.049
  319    HH   TYR  42           HH       TYR  42 -16.839 -13.121   0.299
  Start of MODEL   16
    1   1H    ILE   1          1HT       ILE   1   7.600  14.492 -13.641
    2   2H    ILE   1          2HT       ILE   1   6.547  14.680 -14.981
    3   3H    ILE   1          3HT       ILE   1   8.039  13.854 -15.169
    4    HA   ILE   1           HA       ILE   1   5.824  12.592 -14.924
    5    HB   ILE   1           HB       ILE   1   7.036  10.711 -13.926
    6   1HG1  ILE   1          2HG1      ILE   1   8.244  12.104 -12.209
    7   2HG1  ILE   1          1HG1      ILE   1   9.246  10.912 -13.028
    8   1HG2  ILE   1          1HG2      ILE   1   9.242  11.448 -15.528
    9   2HG2  ILE   1          2HG2      ILE   1   7.804  12.185 -16.237
   10   3HG2  ILE   1          3HG2      ILE   1   7.859  10.443 -15.962
   11   1HD1  ILE   1          1HD1      ILE   1   9.715  13.019 -14.602
   12   2HD1  ILE   1          2HD1      ILE   1  10.654  12.665 -13.154
   13   3HD1  ILE   1          3HD1      ILE   1   9.358  13.857 -13.093
   14    H    MED   2           H        DME   2   4.364  11.793 -13.471
   15    HA   MED   2           HA       DME   2   3.092  11.694 -11.591
   16   1HB   MED   2          1HB       DME   2   4.251  14.371 -11.605
   17   2HB   MED   2          2HB       DME   2   3.868  13.817  -9.981
   18   1HG   MED   2          1HG       DME   2   1.876  14.739 -10.496
   19   2HG   MED   2          2HG       DME   2   1.596  13.133 -11.168
   20   1HE   MED   2          1HE       DME   2   2.094  12.452 -13.406
   21   2HE   MED   2          2HE       DME   2   3.284  13.430 -14.266
   22   3HE   MED   2          3HE       DME   2   1.606  13.402 -14.809
   23    H    PHE   3           H        PHE   3   3.140  11.201  -9.302
   24    HA   PHE   3           HA       PHE   3   5.769  10.178  -8.486
   25   1HB   PHE   3          2HB       PHE   3   4.897  12.395  -7.327
   26   2HB   PHE   3          1HB       PHE   3   3.944  11.256  -6.382
   27    HD1  PHE   3           1HD      PHE   3   5.622   9.040  -5.866
   28    HD2  PHE   3           2HD      PHE   3   6.684  13.152  -6.115
   29    HE1  PHE   3           1HE      PHE   3   7.561   8.622  -4.411
   30    HE2  PHE   3           2HE      PHE   3   8.626  12.744  -4.661
   31    HZ   PHE   3           HZ       PHE   3   9.067  10.475  -3.806
   32    H    PHE   4           H        PHE   4   2.320  10.183  -7.572
   33    HA   PHE   4           HA       PHE   4   2.153   7.334  -7.809
   34   1HB   PHE   4          2HB       PHE   4   2.679   8.553  -5.191
   35   2HB   PHE   4          1HB       PHE   4   1.281   7.484  -5.209
   36    HD1  PHE   4           1HD      PHE   4   1.712   5.185  -6.468
   37    HD2  PHE   4           2HD      PHE   4   4.725   7.633  -4.724
   38    HE1  PHE   4           1HE      PHE   4   3.201   3.232  -6.307
   39    HE2  PHE   4           2HE      PHE   4   6.219   5.685  -4.561
   40    HZ   PHE   4           HZ       PHE   4   5.457   3.481  -5.353
   41    H    GLU   5           H        GLU   5   0.265   7.186  -8.819
   42    HA   GLU   5           HA       GLU   5  -1.939   8.938  -7.978
   43   1HB   GLU   5          2HB       GLU   5  -0.985   8.628 -10.462
   44   2HB   GLU   5          1HB       GLU   5  -2.149   7.311 -10.454
   45   1HG   GLU   5          2HG       GLU   5  -3.944   8.706 -10.359
   46   2HG   GLU   5          1HG       GLU   5  -3.058   9.968  -9.503
   47    H    MET   6           H        MET   6  -1.528   6.927  -6.244
   48    HA   MET   6           HA       MET   6  -3.483   4.845  -6.946
   49   1HB   MET   6          2HB       MET   6  -1.568   4.815  -4.614
   50   2HB   MET   6          1HB       MET   6  -2.491   3.466  -5.263
   51   1HG   MET   6          2HG       MET   6  -0.786   4.672  -7.266
   52   2HG   MET   6          1HG       MET   6   0.126   4.130  -5.860
   53   1HE   MET   6          1HE       MET   6   1.297   1.544  -7.613
   54   2HE   MET   6          2HE       MET   6   0.752   0.841  -6.090
   55   3HE   MET   6          3HE       MET   6   1.324   2.509  -6.137
   56    H    GLN   7           H        GLN   7  -4.565   3.985  -4.776
   57    HA   GLN   7           HA       GLN   7  -5.513   6.304  -3.235
   58   1HB   GLN   7          2HB       GLN   7  -7.069   4.401  -4.884
   59   2HB   GLN   7          1HB       GLN   7  -7.747   4.782  -3.307
   60   1HG   GLN   7          2HG       GLN   7  -7.322   7.246  -4.023
   61   2HG   GLN   7          1HG       GLN   7  -7.281   6.566  -5.649
   62   1HE2  GLN   7          1HE2      GLN   7  -9.145   7.259  -6.491
   63   2HE2  GLN   7          2HE2      GLN   7 -10.709   6.946  -5.831
   64    H    ALA   8           H        ALA   8  -7.057   5.324  -1.396
   65    HA   ALA   8           HA       ALA   8  -5.308   3.719   0.225
   66   1HB   ALA   8          1HB       ALA   8  -7.899   5.131   0.666
   67   2HB   ALA   8          2HB       ALA   8  -6.353   5.332   1.491
   68   3HB   ALA   8          3HB       ALA   8  -7.356   3.921   1.829
   69    H    CYS   9           H        CYS   9  -5.663   1.661   1.018
   70    HA   CYS   9           HA       CYS   9  -6.968  -0.163  -0.688
   71   1HB   CYS   9          2HB       CYS   9  -5.020  -0.577   0.942
   72   2HB   CYS   9          1HB       CYS   9  -6.259  -0.760   2.176
   73    H    TRP  10           H        TRP  10  -8.013   1.572   2.134
   74    HA   TRP  10           HA       TRP  10 -10.367  -0.066   2.520
   75   1HB   TRP  10          2HB       TRP  10 -10.757   2.323   3.927
   76   2HB   TRP  10          1HB       TRP  10 -10.197   0.802   4.584
   77    HD1  TRP  10           HD       TRP  10  -7.359   0.535   4.551
   78    HE1  TRP  10           1HE      TRP  10  -5.624   2.370   5.075
   79    HE3  TRP  10           3HE      TRP  10 -10.309   4.602   3.867
   80    HZ2  TRP  10           2HZ      TRP  10  -5.538   5.204   5.180
   81    HZ3  TRP  10           3HZ      TRP  10  -9.352   6.855   4.190
   82    HH2  TRP  10           HH       TRP  10  -7.011   7.145   4.837
   83    H    SER  11           H        SER  11  -9.527   3.000   1.045
   84    HA   SER  11           HA       SER  11 -12.064   4.071   0.655
   85   1HB   SER  11          2HB       SER  11 -10.128   5.415   0.193
   86   2HB   SER  11          1HB       SER  11  -9.565   4.281  -1.035
   87    HG   SER  11           HG       SER  11 -11.329   4.856  -2.313
   88    H    HIS  12           H        HIS  12 -10.415   1.494  -1.013
   89    HA   HIS  12           HA       HIS  12 -12.608   1.320  -2.962
   90   1HB   HIS  12          2HB       HIS  12  -9.733   0.602  -3.029
   91   2HB   HIS  12          1HB       HIS  12 -10.827  -0.485  -3.878
   92    HD1  HIS  12           1HD      HIS  12 -12.028   0.438  -5.975
   93    HD2  HIS  12           2HD      HIS  12  -9.418   3.131  -4.185
   94    HE1  HIS  12           1HE      HIS  12 -11.727   2.294  -7.645
   95    HE2  HIS  12           2HE      HIS  12 -10.092   3.878  -6.567
   96    H    SER  13           H        SER  13 -11.545  -0.042  -0.083
   97    HA   SER  13           HA       SER  13 -12.309  -1.795   1.149
   98   1HB   SER  13          2HB       SER  13 -14.495  -1.195  -0.148
   99   2HB   SER  13          1HB       SER  13 -14.140  -2.656  -1.070
  100    HG   SER  13           HG       SER  13 -14.359  -2.530   1.758
  101    H    GLY  14           H        GLY  14 -10.205  -2.710   0.858
  102   1HA   GLY  14          2HA       GLY  14 -10.288  -5.162  -0.774
  103   2HA   GLY  14          1HA       GLY  14  -8.885  -4.106  -0.837
  104    H    VAL  15           H        VAL  15  -7.679  -6.001  -0.157
  105    HA   VAL  15           HA       VAL  15  -7.642  -6.216   2.765
  106    HB   VAL  15           HB       VAL  15  -7.415  -8.646   0.990
  107   1HG1  VAL  15          1HG1      VAL  15  -6.316  -9.253   2.894
  108   2HG1  VAL  15          2HG1      VAL  15  -7.966  -9.638   3.381
  109   3HG1  VAL  15          3HG1      VAL  15  -7.221  -8.130   3.908
  110   1HG2  VAL  15          1HG2      VAL  15  -9.763  -7.910   2.728
  111   2HG2  VAL  15          2HG2      VAL  15  -9.630  -9.263   1.604
  112   3HG2  VAL  15          3HG2      VAL  15  -9.705  -7.611   0.990
  113    H    CYS  16           H        CYS  16  -5.624  -6.729   3.656
  114    HA   CYS  16           HA       CYS  16  -3.371  -6.292   1.824
  115   1HB   CYS  16          2HB       CYS  16  -3.625  -5.929   4.815
  116   2HB   CYS  16          1HB       CYS  16  -2.106  -5.765   3.939
  117    H    ARG  17           H        ARG  17  -2.824  -8.280   1.074
  118    HA   ARG  17           HA       ARG  17  -2.280 -10.375   3.075
  119   1HB   ARG  17          2HB       ARG  17  -2.688 -10.790   0.117
  120   2HB   ARG  17          1HB       ARG  17  -2.649 -12.017   1.376
  121   1HG   ARG  17          2HG       ARG  17  -4.695  -9.953   1.747
  122   2HG   ARG  17          1HG       ARG  17  -4.905 -10.956   0.311
  123   1HD   ARG  17          2HD       ARG  17  -4.248 -12.775   2.284
  124   2HD   ARG  17          1HD       ARG  17  -5.277 -11.613   3.121
  125    HE   ARG  17           HE       ARG  17  -6.581 -12.204   0.773
  126   1HH1  ARG  17          1HH1      ARG  17  -5.456 -13.996   3.548
  127   2HH1  ARG  17          2HH1      ARG  17  -6.696 -15.198   3.432
  128   1HH2  ARG  17          1HH2      ARG  17  -8.213 -13.784   0.617
  129   2HH2  ARG  17          2HH2      ARG  17  -8.262 -15.078   1.768
  130    H    ASP  18           H        ASP  18  -0.433 -11.775   2.664
  131    HA   ASP  18           HA       ASP  18   1.942 -10.404   2.328
  132   1HB   ASP  18          2HB       ASP  18   1.157 -13.064   2.918
  133   2HB   ASP  18          1HB       ASP  18   2.341 -13.154   1.618
  134    H    LYS  19           H        LYS  19   3.336 -10.095   0.681
  135    HA   LYS  19           HA       LYS  19   2.317  -9.908  -1.930
  136   1HB   LYS  19          2HB       LYS  19   4.553  -9.241  -2.587
  137   2HB   LYS  19          1HB       LYS  19   4.130  -8.483  -1.058
  138   1HG   LYS  19          2HG       LYS  19   5.404 -10.322   0.087
  139   2HG   LYS  19          1HG       LYS  19   5.978 -10.810  -1.510
  140   1HD   LYS  19          2HD       LYS  19   6.499  -8.137  -1.539
  141   2HD   LYS  19          1HD       LYS  19   6.754  -8.525   0.163
  142   1HE   LYS  19          2HE       LYS  19   7.968 -10.558  -1.420
  143   2HE   LYS  19          1HE       LYS  19   8.485  -8.988  -2.035
  144   1HZ   LYS  19          1HZ       LYS  19   8.736  -8.627   0.600
  145   2HZ   LYS  19          2HZ       LYS  19   9.993  -9.154  -0.402
  146   3HZ   LYS  19          3HZ       LYS  19   9.092 -10.278   0.485
  147    H    SER  20           H        SER  20   3.637 -12.574  -0.259
  148    HA   SER  20           HA       SER  20   4.252 -13.969  -2.769
  149   1HB   SER  20          2HB       SER  20   5.574 -13.863  -0.290
  150   2HB   SER  20          1HB       SER  20   4.902 -15.487  -0.408
  151    HG   SER  20           HG       SER  20   5.876 -15.481  -2.592
  152    H    GLU  21           H        GLU  21   1.531 -13.473  -1.587
  153    HA   GLU  21           HA       GLU  21   0.622 -16.062  -0.748
  154   1HB   GLU  21          2HB       GLU  21  -0.293 -13.525  -0.326
  155   2HB   GLU  21          1HB       GLU  21  -1.403 -14.097  -1.559
  156   1HG   GLU  21          2HG       GLU  21  -1.090 -16.135   0.394
  157   2HG   GLU  21          1HG       GLU  21  -1.424 -14.613   1.216
  158    H    ARG  22           H        ARG  22  -0.969 -17.238  -1.814
  159    HA   ARG  22           HA       ARG  22  -0.672 -17.219  -4.713
  160   1HB   ARG  22          2HB       ARG  22  -1.017 -19.257  -2.656
  161   2HB   ARG  22          1HB       ARG  22  -2.080 -19.496  -4.031
  162   1HG   ARG  22          2HG       ARG  22   0.513 -18.867  -5.002
  163   2HG   ARG  22          1HG       ARG  22   0.659 -20.134  -3.785
  164   1HD   ARG  22          2HD       ARG  22  -0.404 -21.664  -5.059
  165   2HD   ARG  22          1HD       ARG  22  -1.540 -20.482  -5.708
  166    HE   ARG  22           HE       ARG  22   1.133 -20.180  -6.715
  167   1HH1  ARG  22          1HH1      ARG  22  -1.907 -21.844  -7.132
  168   2HH1  ARG  22          2HH1      ARG  22  -1.642 -22.168  -8.812
  169   1HH2  ARG  22          1HH2      ARG  22   1.483 -20.607  -8.926
  170   2HH2  ARG  22          2HH2      ARG  22   0.283 -21.467  -9.831
  171    H    ASN  23           H        ASN  23  -2.913 -16.414  -2.297
  172    HA   ASN  23           HA       ASN  23  -5.100 -16.402  -4.274
  173   1HB   ASN  23          2HB       ASN  23  -5.395 -17.936  -2.279
  174   2HB   ASN  23          1HB       ASN  23  -5.447 -16.490  -1.274
  175   1HD2  ASN  23          1HD2      ASN  23  -7.322 -15.473  -1.029
  176   2HD2  ASN  23          2HD2      ASN  23  -8.764 -15.809  -1.919
  177    H    CYS  24           H        CYS  24  -3.936 -14.301  -4.805
  178    HA   CYS  24           HA       CYS  24  -5.334 -12.157  -3.419
  179   1HB   CYS  24          2HB       CYS  24  -2.895 -12.591  -2.506
  180   2HB   CYS  24          1HB       CYS  24  -2.428 -11.704  -3.953
  181    H    LYS  25           H        LYS  25  -6.254 -10.907  -4.883
  182    HA   LYS  25           HA       LYS  25  -5.033 -10.726  -7.558
  183   1HB   LYS  25          2HB       LYS  25  -7.900 -10.694  -6.652
  184   2HB   LYS  25          1HB       LYS  25  -7.437  -9.997  -8.198
  185   1HG   LYS  25          2HG       LYS  25  -6.753 -12.818  -7.433
  186   2HG   LYS  25          1HG       LYS  25  -8.266 -12.383  -8.230
  187   1HD   LYS  25          2HD       LYS  25  -7.077 -11.509 -10.129
  188   2HD   LYS  25          1HD       LYS  25  -5.528 -11.731  -9.314
  189   1HE   LYS  25          2HE       LYS  25  -7.126 -14.170  -9.463
  190   2HE   LYS  25          1HE       LYS  25  -6.705 -13.511 -11.043
  191   1HZ   LYS  25          1HZ       LYS  25  -5.111 -15.114  -9.648
  192   2HZ   LYS  25          2HZ       LYS  25  -4.549 -13.616  -9.100
  193   3HZ   LYS  25          3HZ       LYS  25  -4.536 -13.970 -10.754
  194    HA   PRO  26           HA       PRO  26  -4.178  -6.602  -5.606
  195   1HB   PRO  26          2HB       PRO  26  -2.799  -6.569  -8.264
  196   2HB   PRO  26          1HB       PRO  26  -2.246  -5.946  -6.704
  197   1HG   PRO  26          2HG       PRO  26  -1.332  -8.266  -7.639
  198   2HG   PRO  26          1HG       PRO  26  -1.677  -8.050  -5.914
  199   1HD   PRO  26          2HD       PRO  26  -3.182  -9.576  -7.967
  200   2HD   PRO  26          1HD       PRO  26  -3.059  -9.850  -6.219
  201    H    MET  27           H        MET  27  -5.090  -4.634  -6.013
  202    HA   MET  27           HA       MET  27  -6.967  -4.520  -8.260
  203   1HB   MET  27          2HB       MET  27  -7.032  -3.631  -5.510
  204   2HB   MET  27          1HB       MET  27  -7.379  -2.296  -6.598
  205   1HG   MET  27          2HG       MET  27  -8.776  -4.916  -6.922
  206   2HG   MET  27          1HG       MET  27  -9.314  -3.753  -5.711
  207   1HE   MET  27          1HE       MET  27 -11.135  -1.113  -7.490
  208   2HE   MET  27          2HE       MET  27  -9.487  -0.822  -6.933
  209   3HE   MET  27          3HE       MET  27 -10.563  -1.861  -5.998
  210    H    ALA  28           H        ALA  28  -7.361  -2.126  -8.987
  211    HA   ALA  28           HA       ALA  28  -4.799  -1.168  -9.965
  212   1HB   ALA  28          1HB       ALA  28  -7.324   0.163 -10.760
  213   2HB   ALA  28          2HB       ALA  28  -7.097  -1.511 -11.265
  214   3HB   ALA  28          3HB       ALA  28  -5.920  -0.283 -11.730
  215    H    TRP  29           H        TRP  29  -3.871   0.711  -9.425
  216    HA   TRP  29           HA       TRP  29  -3.321   2.476  -8.112
  217   1HB   TRP  29          2HB       TRP  29  -6.124   3.477  -8.338
  218   2HB   TRP  29          1HB       TRP  29  -4.602   4.337  -8.515
  219    HD1  TRP  29           HD       TRP  29  -7.223   2.509 -10.508
  220    HE1  TRP  29           1HE      TRP  29  -6.635   2.637 -13.011
  221    HE3  TRP  29           3HE      TRP  29  -2.497   4.420 -10.135
  222    HZ2  TRP  29           2HZ      TRP  29  -4.455   3.441 -14.615
  223    HZ3  TRP  29           3HZ      TRP  29  -1.227   4.840 -12.201
  224    HH2  TRP  29           HH       TRP  29  -2.187   4.359 -14.393
  225    H    THR  30           H        THR  30  -3.133   1.110  -6.220
  226    HA   THR  30           HA       THR  30  -4.568   2.177  -4.012
  227    HB   THR  30           HB       THR  30  -6.283   0.609  -4.787
  228    HG1  THR  30           1HG      THR  30  -5.773   0.923  -2.480
  229   1HG2  THR  30          1HG2      THR  30  -4.034  -1.221  -5.010
  230   2HG2  THR  30          2HG2      THR  30  -5.618  -1.265  -5.782
  231   3HG2  THR  30          3HG2      THR  30  -5.415  -1.899  -4.148
  232    H    TYR  31           H        TYR  31  -3.617   1.680  -2.034
  233    HA   TYR  31           HA       TYR  31  -1.310  -0.133  -2.086
  234   1HB   TYR  31          2HB       TYR  31   0.022   1.550  -0.828
  235   2HB   TYR  31          1HB       TYR  31  -0.374   2.067  -2.463
  236    HD1  TYR  31           1HD      TYR  31  -1.907   3.910  -2.850
  237    HD2  TYR  31           2HD      TYR  31  -0.980   2.638   1.103
  238    HE1  TYR  31           1HE      TYR  31  -2.879   5.986  -1.960
  239    HE2  TYR  31           2HE      TYR  31  -1.950   4.712   2.004
  240    HH   TYR  31           HH       TYR  31  -3.639   6.423   1.276
  241    H    CYS  32           H        CYS  32  -0.601  -0.827   0.029
  242    HA   CYS  32           HA       CYS  32  -2.831  -0.899   1.928
  243   1HB   CYS  32          2HB       CYS  32  -0.683  -2.765   1.162
  244   2HB   CYS  32          1HB       CYS  32  -1.027  -2.705   2.887
  245    H    GLU  33           H        GLU  33  -1.978  -1.240   4.295
  246    HA   GLU  33           HA       GLU  33  -0.747   1.209   5.055
  247   1HB   GLU  33          2HB       GLU  33  -2.408  -0.530   6.303
  248   2HB   GLU  33          1HB       GLU  33  -0.877  -0.970   7.049
  249   1HG   GLU  33          2HG       GLU  33  -0.546   1.289   7.809
  250   2HG   GLU  33          1HG       GLU  33  -1.991   1.824   6.954
  251    H    ASN  34           H        ASN  34   0.344  -2.150   4.926
  252    HA   ASN  34           HA       ASN  34   2.975  -1.418   5.921
  253   1HB   ASN  34          2HB       ASN  34   1.828  -3.542   6.611
  254   2HB   ASN  34          1HB       ASN  34   2.010  -4.115   4.957
  255   1HD2  ASN  34          1HD2      ASN  34   3.616  -5.470   4.750
  256   2HD2  ASN  34          2HD2      ASN  34   5.125  -5.405   5.585
  257    H    ARG  35           H        ARG  35   4.900  -1.701   4.743
  258    HA   ARG  35           HA       ARG  35   4.574  -1.265   1.887
  259   1HB   ARG  35          2HB       ARG  35   6.385  -0.356   3.866
  260   2HB   ARG  35          1HB       ARG  35   7.321  -1.275   2.697
  261   1HG   ARG  35          2HG       ARG  35   5.378   0.678   1.623
  262   2HG   ARG  35          1HG       ARG  35   6.815   1.320   2.420
  263   1HD   ARG  35          2HD       ARG  35   7.546   1.130   0.245
  264   2HD   ARG  35          1HD       ARG  35   8.071  -0.409   0.926
  265    HE   ARG  35           HE       ARG  35   5.460  -0.502  -0.277
  266   1HH1  ARG  35          1HH1      ARG  35   8.891  -0.772  -0.859
  267   2HH1  ARG  35          2HH1      ARG  35   8.700  -1.738  -2.283
  268   1HH2  ARG  35          1HH2      ARG  35   5.207  -1.774  -2.149
  269   2HH2  ARG  35          2HH2      ARG  35   6.609  -2.307  -3.017
  270    H    ASN  36           H        ASN  36   4.349  -3.981   3.313
  271    HA   ASN  36           HA       ASN  36   6.090  -5.404   1.430
  272   1HB   ASN  36          2HB       ASN  36   6.781  -5.324   4.004
  273   2HB   ASN  36          1HB       ASN  36   5.610  -6.635   4.098
  274   1HD2  ASN  36          1HD2      ASN  36   8.337  -5.569   2.100
  275   2HD2  ASN  36          2HD2      ASN  36   9.021  -7.140   1.893
  276    H    GLN  37           H        GLN  37   3.086  -4.687   1.987
  277    HA   GLN  37           HA       GLN  37   2.061  -7.382   1.424
  278   1HB   GLN  37          2HB       GLN  37   1.471  -5.817   3.633
  279   2HB   GLN  37          1HB       GLN  37   0.114  -5.531   2.556
  280   1HG   GLN  37          2HG       GLN  37  -0.581  -7.720   2.631
  281   2HG   GLN  37          1HG       GLN  37   1.025  -8.317   3.050
  282   1HE2  GLN  37          1HE2      GLN  37   0.087  -9.534   4.739
  283   2HE2  GLN  37          2HE2      GLN  37  -0.383  -8.785   6.224
  284    H    LYS  38           H        LYS  38  -0.043  -7.329   0.222
  285    HA   LYS  38           HA       LYS  38  -0.084  -5.069  -1.667
  286   1HB   LYS  38          2HB       LYS  38  -1.334  -7.192  -2.968
  287   2HB   LYS  38          1HB       LYS  38   0.260  -6.546  -3.302
  288   1HG   LYS  38          2HG       LYS  38   1.320  -8.310  -2.369
  289   2HG   LYS  38          1HG       LYS  38   0.086  -8.542  -1.132
  290   1HD   LYS  38          2HD       LYS  38  -0.855 -10.160  -2.324
  291   2HD   LYS  38          1HD       LYS  38  -1.063  -9.067  -3.693
  292   1HE   LYS  38          2HE       LYS  38   1.491  -9.569  -4.060
  293   2HE   LYS  38          1HE       LYS  38   1.122 -11.014  -3.121
  294   1HZ   LYS  38          1HZ       LYS  38  -0.651 -10.340  -5.349
  295   2HZ   LYS  38          2HZ       LYS  38  -0.190 -11.856  -4.757
  296   3HZ   LYS  38          3HZ       LYS  38   0.876 -10.965  -5.722
  297    H    CYS  39           H        CYS  39  -2.065  -4.327  -2.408
  298    HA   CYS  39           HA       CYS  39  -4.311  -4.981  -0.644
  299   1HB   CYS  39          2HB       CYS  39  -3.694  -2.624  -0.736
  300   2HB   CYS  39          1HB       CYS  39  -3.889  -2.619  -2.484
  301    H    CYS  40           H        CYS  40  -5.281  -6.710  -1.503
  302    HA   CYS  40           HA       CYS  40  -5.894  -6.772  -4.348
  303   1HB   CYS  40          2HB       CYS  40  -5.912  -8.817  -2.140
  304   2HB   CYS  40          1HB       CYS  40  -6.618  -9.133  -3.710
  305    H    GLU  41           H        GLU  41  -8.064  -7.540  -4.988
  306    HA   GLU  41           HA       GLU  41 -10.091  -5.936  -3.856
  307   1HB   GLU  41          2HB       GLU  41  -9.937  -6.794  -6.247
  308   2HB   GLU  41          1HB       GLU  41 -10.551  -8.325  -5.637
  309   1HG   GLU  41          2HG       GLU  41 -12.602  -7.311  -4.957
  310   2HG   GLU  41          1HG       GLU  41 -11.982  -5.700  -5.316
  311    H    TYR  42           H        TYR  42 -10.071  -9.496  -4.108
  312    HA   TYR  42           HA       TYR  42 -11.396  -9.589  -1.478
  313   1HB   TYR  42          2HB       TYR  42 -12.453 -11.752  -2.405
  314   2HB   TYR  42          1HB       TYR  42 -13.103 -10.213  -2.958
  315    HD1  TYR  42           1HD      TYR  42 -12.800  -9.484  -5.249
  316    HD2  TYR  42           2HD      TYR  42 -11.154 -13.170  -3.905
  317    HE1  TYR  42           1HE      TYR  42 -12.418 -10.158  -7.582
  318    HE2  TYR  42           2HE      TYR  42 -10.766 -13.853  -6.234
  319    HH   TYR  42           HH       TYR  42 -12.157 -12.294  -8.863
  Start of MODEL   17
    1   1H    ILE   1          1HT       ILE   1   1.668  11.288  -9.063
    2   2H    ILE   1          2HT       ILE   1   2.673  11.510 -10.436
    3   3H    ILE   1          3HT       ILE   1   2.019  12.871  -9.618
    4    HA   ILE   1           HA       ILE   1   4.432  12.184  -9.243
    5    HB   ILE   1           HB       ILE   1   4.207  12.878  -6.820
    6   1HG1  ILE   1          2HG1      ILE   1   1.284  13.041  -7.589
    7   2HG1  ILE   1          1HG1      ILE   1   1.977  11.920  -6.422
    8   1HG2  ILE   1          1HG2      ILE   1   3.799  15.123  -7.369
    9   2HG2  ILE   1          2HG2      ILE   1   2.694  14.692  -8.673
   10   3HG2  ILE   1          3HG2      ILE   1   4.423  14.399  -8.851
   11   1HD1  ILE   1          1HD1      ILE   1   2.525  13.710  -4.939
   12   2HD1  ILE   1          2HD1      ILE   1   0.834  13.871  -5.411
   13   3HD1  ILE   1          3HD1      ILE   1   2.056  14.913  -6.140
   14    H    MED   2           H        DME   2   5.659  10.514  -8.704
   15    HA   MED   2           HA       DME   2   4.645   8.553  -6.771
   16   1HB   MED   2          1HB       DME   2   7.183   9.788  -7.169
   17   2HB   MED   2          2HB       DME   2   7.373   8.062  -7.447
   18   1HG   MED   2          1HG       DME   2   6.237   7.682  -5.246
   19   2HG   MED   2          2HG       DME   2   6.343   9.421  -4.973
   20   1HE   MED   2          1HE       DME   2   9.236   9.129  -2.714
   21   2HE   MED   2          2HE       DME   2   7.781   8.143  -2.576
   22   3HE   MED   2          3HE       DME   2   7.664   9.814  -3.125
   23    H    PHE   3           H        PHE   3   3.614   6.920  -7.728
   24    HA   PHE   3           HA       PHE   3   4.986   5.503  -9.894
   25   1HB   PHE   3          2HB       PHE   3   2.662   4.575  -8.195
   26   2HB   PHE   3          1HB       PHE   3   3.600   3.593  -9.315
   27    HD1  PHE   3           1HD      PHE   3   3.155   4.397  -5.967
   28    HD2  PHE   3           2HD      PHE   3   6.223   3.647  -8.820
   29    HE1  PHE   3           1HE      PHE   3   4.699   3.806  -4.146
   30    HE2  PHE   3           2HE      PHE   3   7.772   3.053  -7.003
   31    HZ   PHE   3           HZ       PHE   3   7.011   3.132  -4.662
   32    H    PHE   4           H        PHE   4   1.573   6.076  -9.024
   33    HA   PHE   4           HA       PHE   4   0.975   7.304 -11.531
   34   1HB   PHE   4          2HB       PHE   4   0.481   4.397 -11.159
   35   2HB   PHE   4          1HB       PHE   4  -0.793   5.332 -11.934
   36    HD1  PHE   4           1HD      PHE   4   2.184   3.535 -12.444
   37    HD2  PHE   4           2HD      PHE   4  -0.019   6.874 -13.895
   38    HE1  PHE   4           1HE      PHE   4   3.392   3.398 -14.582
   39    HE2  PHE   4           2HE      PHE   4   1.186   6.743 -16.036
   40    HZ   PHE   4           HZ       PHE   4   2.895   5.003 -16.383
   41    H    GLU   5           H        GLU   5   0.624   7.807  -8.699
   42    HA   GLU   5           HA       GLU   5  -0.921   8.672  -7.272
   43   1HB   GLU   5          2HB       GLU   5  -1.554   9.924  -9.349
   44   2HB   GLU   5          1HB       GLU   5  -2.765   8.689  -9.667
   45   1HG   GLU   5          2HG       GLU   5  -4.007   9.284  -7.746
   46   2HG   GLU   5          1HG       GLU   5  -2.702  10.298  -7.132
   47    H    MET   6           H        MET   6  -1.030   6.721  -6.080
   48    HA   MET   6           HA       MET   6  -3.177   4.857  -6.720
   49   1HB   MET   6          2HB       MET   6  -0.933   4.837  -4.714
   50   2HB   MET   6          1HB       MET   6  -2.247   3.670  -4.638
   51   1HG   MET   6          2HG       MET   6  -1.687   2.815  -6.808
   52   2HG   MET   6          1HG       MET   6  -0.473   4.074  -7.034
   53   1HE   MET   6          1HE       MET   6   0.334   0.295  -6.709
   54   2HE   MET   6          2HE       MET   6  -1.317   0.854  -6.441
   55   3HE   MET   6          3HE       MET   6  -0.403   0.137  -5.114
   56    H    GLN   7           H        GLN   7  -4.648   4.145  -4.985
   57    HA   GLN   7           HA       GLN   7  -5.452   6.429  -3.306
   58   1HB   GLN   7          2HB       GLN   7  -6.973   4.472  -4.927
   59   2HB   GLN   7          1HB       GLN   7  -7.677   4.900  -3.374
   60   1HG   GLN   7          2HG       GLN   7  -7.464   7.302  -4.041
   61   2HG   GLN   7          1HG       GLN   7  -6.997   6.743  -5.647
   62   1HE2  GLN   7          1HE2      GLN   7  -9.115   8.320  -5.549
   63   2HE2  GLN   7          2HE2      GLN   7 -10.582   7.437  -5.779
   64    H    ALA   8           H        ALA   8  -7.124   5.355  -1.537
   65    HA   ALA   8           HA       ALA   8  -5.350   3.787   0.140
   66   1HB   ALA   8          1HB       ALA   8  -7.020   5.820   0.720
   67   2HB   ALA   8          2HB       ALA   8  -6.477   4.629   1.903
   68   3HB   ALA   8          3HB       ALA   8  -8.048   4.446   1.124
   69    H    CYS   9           H        CYS   9  -5.577   1.690   0.642
   70    HA   CYS   9           HA       CYS   9  -7.125  -0.033  -0.912
   71   1HB   CYS   9          2HB       CYS   9  -5.062  -0.607   0.439
   72   2HB   CYS   9          1HB       CYS   9  -6.098  -0.655   1.858
   73    H    TRP  10           H        TRP  10  -7.811   1.549   2.120
   74    HA   TRP  10           HA       TRP  10 -10.172  -0.008   2.660
   75   1HB   TRP  10          2HB       TRP  10 -10.373   2.358   4.147
   76   2HB   TRP  10          1HB       TRP  10  -9.791   0.811   4.715
   77    HD1  TRP  10           HD       TRP  10  -6.982   0.478   4.445
   78    HE1  TRP  10           1HE      TRP  10  -5.158   2.260   4.826
   79    HE3  TRP  10           3HE      TRP  10  -9.867   4.627   4.047
   80    HZ2  TRP  10           2HZ      TRP  10  -4.986   5.091   4.940
   81    HZ3  TRP  10           3HZ      TRP  10  -8.825   6.852   4.299
   82    HH2  TRP  10           HH       TRP  10  -6.429   7.074   4.740
   83    H    SER  11           H        SER  11  -9.403   2.918   0.965
   84    HA   SER  11           HA       SER  11 -11.863   4.205   0.933
   85   1HB   SER  11          2HB       SER  11  -9.386   4.504  -0.362
   86   2HB   SER  11          1HB       SER  11 -10.584   4.402  -1.651
   87    HG   SER  11           HG       SER  11 -11.772   6.018  -0.322
   88    H    HIS  12           H        HIS  12 -10.686   1.530  -1.048
   89    HA   HIS  12           HA       HIS  12 -13.337   1.360  -2.313
   90   1HB   HIS  12          2HB       HIS  12 -12.268   0.087  -4.096
   91   2HB   HIS  12          1HB       HIS  12 -11.453   1.631  -3.875
   92    HD1  HIS  12           1HD      HIS  12 -10.903  -2.015  -3.773
   93    HD2  HIS  12           2HD      HIS  12  -8.865   1.432  -2.667
   94    HE1  HIS  12           1HE      HIS  12  -8.526  -2.736  -3.384
   95    HE2  HIS  12           2HE      HIS  12  -7.291  -0.614  -2.815
   96    H    SER  13           H        SER  13 -12.127   0.216   0.339
   97    HA   SER  13           HA       SER  13 -12.356  -1.659   1.604
   98   1HB   SER  13          2HB       SER  13 -14.653  -1.724  -0.275
   99   2HB   SER  13          1HB       SER  13 -14.316  -3.209   0.614
  100    HG   SER  13           HG       SER  13 -14.567  -0.669   1.847
  101    H    GLY  14           H        GLY  14 -10.279  -2.460   1.018
  102   1HA   GLY  14          2HA       GLY  14 -10.400  -4.781  -0.810
  103   2HA   GLY  14          1HA       GLY  14  -8.989  -3.739  -0.688
  104    H    VAL  15           H        VAL  15  -7.780  -5.684  -0.212
  105    HA   VAL  15           HA       VAL  15  -7.888  -6.305   2.649
  106    HB   VAL  15           HB       VAL  15  -7.490  -8.482   0.603
  107   1HG1  VAL  15          1HG1      VAL  15  -7.371  -9.942   2.349
  108   2HG1  VAL  15          2HG1      VAL  15  -8.393  -8.954   3.393
  109   3HG1  VAL  15          3HG1      VAL  15  -6.707  -8.509   3.131
  110   1HG2  VAL  15          1HG2      VAL  15  -9.779  -7.481   0.466
  111   2HG2  VAL  15          2HG2      VAL  15 -10.020  -7.942   2.151
  112   3HG2  VAL  15          3HG2      VAL  15  -9.752  -9.183   0.926
  113    H    CYS  16           H        CYS  16  -5.927  -6.586   3.605
  114    HA   CYS  16           HA       CYS  16  -3.580  -6.111   1.919
  115   1HB   CYS  16          2HB       CYS  16  -4.049  -5.792   4.885
  116   2HB   CYS  16          1HB       CYS  16  -2.457  -5.655   4.150
  117    H    ARG  17           H        ARG  17  -2.955  -8.071   1.158
  118    HA   ARG  17           HA       ARG  17  -2.366 -10.145   3.172
  119   1HB   ARG  17          2HB       ARG  17  -3.165 -10.525   0.283
  120   2HB   ARG  17          1HB       ARG  17  -2.706 -11.817   1.383
  121   1HG   ARG  17          2HG       ARG  17  -4.898 -10.010   2.223
  122   2HG   ARG  17          1HG       ARG  17  -5.233 -11.173   0.938
  123   1HD   ARG  17          2HD       ARG  17  -4.734 -13.007   2.327
  124   2HD   ARG  17          1HD       ARG  17  -3.950 -11.984   3.530
  125    HE   ARG  17           HE       ARG  17  -6.003 -11.530   4.442
  126   1HH1  ARG  17          1HH1      ARG  17  -6.447 -13.000   1.307
  127   2HH1  ARG  17          2HH1      ARG  17  -8.157 -13.194   1.502
  128   1HH2  ARG  17          1HH2      ARG  17  -8.252 -11.785   4.699
  129   2HH2  ARG  17          2HH2      ARG  17  -9.182 -12.502   3.426
  130    H    ASP  18           H        ASP  18  -0.570 -11.605   2.598
  131    HA   ASP  18           HA       ASP  18   1.770 -10.191   2.079
  132   1HB   ASP  18          2HB       ASP  18   1.306 -13.175   1.887
  133   2HB   ASP  18          1HB       ASP  18   2.877 -12.390   2.010
  134    H    LYS  19           H        LYS  19   2.915  -9.758   0.315
  135    HA   LYS  19           HA       LYS  19   1.776  -9.809  -2.229
  136   1HB   LYS  19          2HB       LYS  19   4.040  -9.214  -3.051
  137   2HB   LYS  19          1HB       LYS  19   3.522  -8.236  -1.685
  138   1HG   LYS  19          2HG       LYS  19   4.831  -9.905  -0.245
  139   2HG   LYS  19          1HG       LYS  19   5.575 -10.412  -1.763
  140   1HD   LYS  19          2HD       LYS  19   6.128  -7.964  -2.143
  141   2HD   LYS  19          1HD       LYS  19   5.665  -7.701  -0.461
  142   1HE   LYS  19          2HE       LYS  19   7.552  -8.630   0.329
  143   2HE   LYS  19          1HE       LYS  19   7.526  -9.926  -0.865
  144   1HZ   LYS  19          1HZ       LYS  19   8.346  -7.147  -1.496
  145   2HZ   LYS  19          2HZ       LYS  19   8.527  -8.518  -2.469
  146   3HZ   LYS  19          3HZ       LYS  19   9.438  -8.361  -1.052
  147    H    SER  20           H        SER  20   3.481 -12.269  -0.528
  148    HA   SER  20           HA       SER  20   4.053 -13.772  -2.958
  149   1HB   SER  20          2HB       SER  20   5.246 -13.628  -0.414
  150   2HB   SER  20          1HB       SER  20   4.557 -15.247  -0.529
  151    HG   SER  20           HG       SER  20   5.731 -15.577  -2.412
  152    H    GLU  21           H        GLU  21   1.270 -13.227  -1.790
  153    HA   GLU  21           HA       GLU  21   0.334 -15.860  -1.138
  154   1HB   GLU  21          2HB       GLU  21  -0.611 -14.056   0.097
  155   2HB   GLU  21          1HB       GLU  21  -0.995 -13.162  -1.369
  156   1HG   GLU  21          2HG       GLU  21  -2.830 -14.404  -1.806
  157   2HG   GLU  21          1HG       GLU  21  -2.159 -15.840  -1.043
  158    H    ARG  22           H        ARG  22  -0.596 -17.202  -2.491
  159    HA   ARG  22           HA       ARG  22  -0.774 -16.489  -5.302
  160   1HB   ARG  22          2HB       ARG  22  -0.335 -18.909  -3.766
  161   2HB   ARG  22          1HB       ARG  22  -1.545 -19.149  -5.016
  162   1HG   ARG  22          2HG       ARG  22   0.661 -17.697  -6.104
  163   2HG   ARG  22          1HG       ARG  22   1.252 -19.140  -5.280
  164   1HD   ARG  22          2HD       ARG  22  -0.827 -20.203  -6.594
  165   2HD   ARG  22          1HD       ARG  22  -0.438 -18.883  -7.695
  166    HE   ARG  22           HE       ARG  22   1.123 -21.256  -7.194
  167   1HH1  ARG  22          1HH1      ARG  22   1.168 -17.977  -8.394
  168   2HH1  ARG  22          2HH1      ARG  22   2.572 -18.224  -9.376
  169   1HH2  ARG  22          1HH2      ARG  22   2.968 -21.580  -8.485
  170   2HH2  ARG  22          2HH2      ARG  22   3.595 -20.269  -9.429
  171    H    ASN  23           H        ASN  23  -2.855 -16.424  -2.708
  172    HA   ASN  23           HA       ASN  23  -5.192 -16.923  -4.429
  173   1HB   ASN  23          2HB       ASN  23  -4.634 -18.205  -2.104
  174   2HB   ASN  23          1HB       ASN  23  -5.596 -16.858  -1.501
  175   1HD2  ASN  23          1HD2      ASN  23  -6.799 -19.009  -0.981
  176   2HD2  ASN  23          2HD2      ASN  23  -8.039 -19.429  -2.106
  177    H    CYS  24           H        CYS  24  -4.210 -14.526  -4.847
  178    HA   CYS  24           HA       CYS  24  -6.186 -12.776  -3.639
  179   1HB   CYS  24          2HB       CYS  24  -3.518 -12.786  -2.705
  180   2HB   CYS  24          1HB       CYS  24  -3.707 -11.326  -3.667
  181    H    LYS  25           H        LYS  25  -6.530 -10.829  -4.813
  182    HA   LYS  25           HA       LYS  25  -5.487 -10.931  -7.565
  183   1HB   LYS  25          2HB       LYS  25  -8.038 -11.237  -6.987
  184   2HB   LYS  25          1HB       LYS  25  -8.008  -9.483  -6.859
  185   1HG   LYS  25          2HG       LYS  25  -8.298  -9.379  -9.049
  186   2HG   LYS  25          1HG       LYS  25  -6.690 -10.077  -9.251
  187   1HD   LYS  25          2HD       LYS  25  -8.250 -12.272  -8.690
  188   2HD   LYS  25          1HD       LYS  25  -9.318 -11.269  -9.674
  189   1HE   LYS  25          2HE       LYS  25  -7.406 -11.065 -11.313
  190   2HE   LYS  25          1HE       LYS  25  -6.588 -12.320 -10.384
  191   1HZ   LYS  25          1HZ       LYS  25  -9.284 -12.655 -11.578
  192   2HZ   LYS  25          2HZ       LYS  25  -8.317 -13.854 -10.879
  193   3HZ   LYS  25          3HZ       LYS  25  -7.853 -13.141 -12.341
  194    HA   PRO  26           HA       PRO  26  -3.483  -7.188  -5.737
  195   1HB   PRO  26          2HB       PRO  26  -2.114  -7.513  -8.367
  196   2HB   PRO  26          1HB       PRO  26  -1.429  -7.156  -6.777
  197   1HG   PRO  26          2HG       PRO  26  -1.215  -9.591  -7.829
  198   2HG   PRO  26          1HG       PRO  26  -1.517  -9.371  -6.094
  199   1HD   PRO  26          2HD       PRO  26  -3.393 -10.208  -8.257
  200   2HD   PRO  26          1HD       PRO  26  -3.330 -10.712  -6.557
  201    H    MET  27           H        MET  27  -4.795  -5.475  -5.915
  202    HA   MET  27           HA       MET  27  -5.709  -4.650  -8.581
  203   1HB   MET  27          2HB       MET  27  -6.814  -4.397  -5.838
  204   2HB   MET  27          1HB       MET  27  -7.114  -3.056  -6.935
  205   1HG   MET  27          2HG       MET  27  -7.916  -4.869  -8.578
  206   2HG   MET  27          1HG       MET  27  -8.004  -5.900  -7.151
  207   1HE   MET  27          1HE       MET  27  -9.023  -5.398  -5.152
  208   2HE   MET  27          2HE       MET  27 -10.762  -5.464  -5.434
  209   3HE   MET  27          3HE       MET  27 -10.034  -4.008  -4.756
  210    H    ALA  28           H        ALA  28  -4.863  -2.907  -9.516
  211    HA   ALA  28           HA       ALA  28  -2.787  -1.423  -8.249
  212   1HB   ALA  28          1HB       ALA  28  -2.960  -1.963 -10.711
  213   2HB   ALA  28          2HB       ALA  28  -2.524  -0.300 -10.314
  214   3HB   ALA  28          3HB       ALA  28  -4.171  -0.686 -10.816
  215    H    TRP  29           H        TRP  29  -3.155   1.172  -9.105
  216    HA   TRP  29           HA       TRP  29  -3.871   3.142  -8.218
  217   1HB   TRP  29          2HB       TRP  29  -6.691   2.234  -8.447
  218   2HB   TRP  29          1HB       TRP  29  -5.939   3.723  -8.998
  219    HD1  TRP  29           HD       TRP  29  -7.527   0.851 -10.416
  220    HE1  TRP  29           1HE      TRP  29  -6.735   0.381 -12.821
  221    HE3  TRP  29           3HE      TRP  29  -3.310   3.742 -10.464
  222    HZ2  TRP  29           2HZ      TRP  29  -4.606   1.136 -14.512
  223    HZ3  TRP  29           3HZ      TRP  29  -1.952   3.813 -12.514
  224    HH2  TRP  29           HH       TRP  29  -2.587   2.536 -14.495
  225    H    THR  30           H        THR  30  -3.287   1.241  -6.214
  226    HA   THR  30           HA       THR  30  -4.446   2.455  -3.971
  227    HB   THR  30           HB       THR  30  -6.466   1.245  -4.587
  228    HG1  THR  30           1HG      THR  30  -5.760   1.385  -2.328
  229   1HG2  THR  30          1HG2      THR  30  -4.656  -0.903  -5.164
  230   2HG2  THR  30          2HG2      THR  30  -6.361  -0.728  -5.575
  231   3HG2  THR  30          3HG2      THR  30  -5.895  -1.420  -4.021
  232    H    TYR  31           H        TYR  31  -3.462   1.833  -2.054
  233    HA   TYR  31           HA       TYR  31  -1.579  -0.410  -2.172
  234   1HB   TYR  31          2HB       TYR  31   0.191   0.967  -1.155
  235   2HB   TYR  31          1HB       TYR  31  -0.277   1.578  -2.738
  236    HD1  TYR  31           1HD      TYR  31  -0.787   3.829  -2.987
  237    HD2  TYR  31           2HD      TYR  31  -0.964   2.090   0.892
  238    HE1  TYR  31           1HE      TYR  31  -1.186   6.052  -2.015
  239    HE2  TYR  31           2HE      TYR  31  -1.364   4.308   1.874
  240    HH   TYR  31           HH       TYR  31  -2.108   7.060  -0.037
  241    H    CYS  32           H        CYS  32  -0.659  -0.890   0.038
  242    HA   CYS  32           HA       CYS  32  -2.792  -0.556   2.032
  243   1HB   CYS  32          2HB       CYS  32  -2.365  -2.866   1.413
  244   2HB   CYS  32          1HB       CYS  32  -0.659  -2.687   1.794
  245    H    GLU  33           H        GLU  33  -2.155  -0.385   4.277
  246    HA   GLU  33           HA       GLU  33  -0.436   1.730   4.780
  247   1HB   GLU  33          2HB       GLU  33  -2.274   0.716   6.269
  248   2HB   GLU  33          1HB       GLU  33  -1.025  -0.382   6.841
  249   1HG   GLU  33          2HG       GLU  33   0.114   2.151   7.018
  250   2HG   GLU  33          1HG       GLU  33  -1.547   2.355   7.571
  251    H    ASN  34           H        ASN  34   0.236  -1.696   4.643
  252    HA   ASN  34           HA       ASN  34   2.924  -1.341   5.699
  253   1HB   ASN  34          2HB       ASN  34   1.220  -3.404   5.942
  254   2HB   ASN  34          1HB       ASN  34   2.095  -3.933   4.509
  255   1HD2  ASN  34          1HD2      ASN  34   2.081  -3.802   7.855
  256   2HD2  ASN  34          2HD2      ASN  34   3.710  -4.305   8.141
  257    H    ARG  35           H        ARG  35   4.814  -1.676   4.530
  258    HA   ARG  35           HA       ARG  35   4.565  -1.169   1.677
  259   1HB   ARG  35          2HB       ARG  35   6.354  -0.336   3.661
  260   2HB   ARG  35          1HB       ARG  35   7.288  -1.411   2.631
  261   1HG   ARG  35          2HG       ARG  35   5.931   0.154   0.823
  262   2HG   ARG  35          1HG       ARG  35   6.313   1.279   2.127
  263   1HD   ARG  35          2HD       ARG  35   8.510  -0.509   1.346
  264   2HD   ARG  35          1HD       ARG  35   8.000   0.630   0.099
  265    HE   ARG  35           HE       ARG  35   8.250   2.151   2.350
  266   1HH1  ARG  35          1HH1      ARG  35  10.367   0.007   0.589
  267   2HH1  ARG  35          2HH1      ARG  35  11.806   0.862   1.030
  268   1HH2  ARG  35          1HH2      ARG  35  10.142   3.278   2.931
  269   2HH2  ARG  35          2HH2      ARG  35  11.679   2.719   2.361
  270    H    ASN  36           H        ASN  36   4.282  -3.891   3.236
  271    HA   ASN  36           HA       ASN  36   5.900  -5.411   1.301
  272   1HB   ASN  36          2HB       ASN  36   6.565  -5.415   3.871
  273   2HB   ASN  36          1HB       ASN  36   5.280  -6.617   3.958
  274   1HD2  ASN  36          1HD2      ASN  36   8.015  -5.823   1.838
  275   2HD2  ASN  36          2HD2      ASN  36   8.591  -7.445   1.691
  276    H    GLN  37           H        GLN  37   2.855  -4.760   2.610
  277    HA   GLN  37           HA       GLN  37   1.733  -7.286   1.629
  278   1HB   GLN  37          2HB       GLN  37   1.316  -5.983   3.996
  279   2HB   GLN  37          1HB       GLN  37  -0.037  -5.409   3.036
  280   1HG   GLN  37          2HG       GLN  37  -0.840  -7.613   2.694
  281   2HG   GLN  37          1HG       GLN  37   0.640  -8.318   3.340
  282   1HE2  GLN  37          1HE2      GLN  37  -0.846  -9.506   4.714
  283   2HE2  GLN  37          2HE2      GLN  37  -1.414  -8.774   6.172
  284    H    LYS  38           H        LYS  38   0.139  -7.301   0.074
  285    HA   LYS  38           HA       LYS  38  -0.124  -4.823  -1.464
  286   1HB   LYS  38          2HB       LYS  38  -1.225  -6.584  -3.117
  287   2HB   LYS  38          1HB       LYS  38   0.511  -6.359  -3.023
  288   1HG   LYS  38          2HG       LYS  38   0.760  -8.308  -1.666
  289   2HG   LYS  38          1HG       LYS  38  -0.990  -8.472  -1.498
  290   1HD   LYS  38          2HD       LYS  38  -0.880  -8.547  -4.138
  291   2HD   LYS  38          1HD       LYS  38   0.767  -9.095  -3.819
  292   1HE   LYS  38          2HE       LYS  38   0.034 -10.994  -2.664
  293   2HE   LYS  38          1HE       LYS  38  -1.587 -10.339  -2.438
  294   1HZ   LYS  38          1HZ       LYS  38  -1.369 -12.119  -4.163
  295   2HZ   LYS  38          2HZ       LYS  38  -0.482 -11.027  -5.102
  296   3HZ   LYS  38          3HZ       LYS  38  -2.092 -10.688  -4.704
  297    H    CYS  39           H        CYS  39  -2.198  -4.437  -2.551
  298    HA   CYS  39           HA       CYS  39  -4.428  -5.011  -0.721
  299   1HB   CYS  39          2HB       CYS  39  -3.895  -2.646  -0.897
  300   2HB   CYS  39          1HB       CYS  39  -4.051  -2.715  -2.647
  301    H    CYS  40           H        CYS  40  -5.110  -6.899  -1.593
  302    HA   CYS  40           HA       CYS  40  -5.879  -6.945  -4.415
  303   1HB   CYS  40          2HB       CYS  40  -6.431  -9.459  -3.455
  304   2HB   CYS  40          1HB       CYS  40  -4.955  -8.987  -4.278
  305    H    GLU  41           H        GLU  41  -7.954  -8.022  -4.956
  306    HA   GLU  41           HA       GLU  41 -10.114  -6.689  -3.796
  307   1HB   GLU  41          2HB       GLU  41 -10.037  -7.710  -6.091
  308   2HB   GLU  41          1HB       GLU  41 -10.259  -9.283  -5.338
  309   1HG   GLU  41          2HG       GLU  41 -12.417  -8.654  -4.514
  310   2HG   GLU  41          1HG       GLU  41 -12.187  -6.992  -5.055
  311    H    TYR  42           H        TYR  42  -9.626 -10.222  -3.711
  312    HA   TYR  42           HA       TYR  42 -10.769 -10.214  -0.994
  313   1HB   TYR  42          2HB       TYR  42 -11.551 -12.580  -1.609
  314   2HB   TYR  42          1HB       TYR  42 -12.425 -11.230  -2.326
  315    HD1  TYR  42           1HD      TYR  42 -10.616 -14.240  -2.961
  316    HD2  TYR  42           2HD      TYR  42 -11.777 -10.538  -4.708
  317    HE1  TYR  42           1HE      TYR  42 -10.198 -15.171  -5.198
  318    HE2  TYR  42           2HE      TYR  42 -11.362 -11.460  -6.950
  319    HH   TYR  42           HH       TYR  42 -10.906 -14.768  -7.523
  Start of MODEL   18
    1   1H    ILE   1          1HT       ILE   1   3.956  16.941 -13.233
    2   2H    ILE   1          2HT       ILE   1   2.348  16.978 -13.831
    3   3H    ILE   1          3HT       ILE   1   3.328  15.591 -14.081
    4    HA   ILE   1           HA       ILE   1   3.168  14.895 -11.967
    5    HB   ILE   1           HB       ILE   1   2.274  16.424 -10.143
    6   1HG1  ILE   1          2HG1      ILE   1   3.237  18.767 -11.671
    7   2HG1  ILE   1          1HG1      ILE   1   1.680  18.119 -12.178
    8   1HG2  ILE   1          1HG2      ILE   1   4.921  17.037 -11.447
    9   2HG2  ILE   1          2HG2      ILE   1   4.597  15.804 -10.229
   10   3HG2  ILE   1          3HG2      ILE   1   4.473  17.513  -9.810
   11   1HD1  ILE   1          1HD1      ILE   1   1.855  19.980 -10.344
   12   2HD1  ILE   1          2HD1      ILE   1   2.140  18.600  -9.284
   13   3HD1  ILE   1          3HD1      ILE   1   0.653  18.695 -10.226
   14    H    MED   2           H        DME   2   1.527  13.520 -12.078
   15    HA   MED   2           HA       DME   2  -0.576  12.658 -12.159
   16   1HB   MED   2          1HB       DME   2  -0.697  15.016 -13.947
   17   2HB   MED   2          2HB       DME   2  -2.242  14.367 -13.418
   18   1HG   MED   2          1HG       DME   2  -0.934  12.103 -14.153
   19   2HG   MED   2          2HG       DME   2  -0.279  13.276 -15.292
   20   1HE   MED   2          1HE       DME   2  -4.102  11.073 -15.562
   21   2HE   MED   2          2HE       DME   2  -3.932  11.838 -13.981
   22   3HE   MED   2          3HE       DME   2  -2.656  10.784 -14.593
   23    H    PHE   3           H        PHE   3  -2.983  13.242 -11.635
   24    HA   PHE   3           HA       PHE   3  -2.969  15.062  -9.316
   25   1HB   PHE   3          2HB       PHE   3  -4.485  15.415 -11.531
   26   2HB   PHE   3          1HB       PHE   3  -5.570  14.415 -10.570
   27    HD1  PHE   3           1HD      PHE   3  -7.198  15.709  -9.607
   28    HD2  PHE   3           2HD      PHE   3  -3.203  17.171  -9.716
   29    HE1  PHE   3           1HE      PHE   3  -7.893  17.692  -8.328
   30    HE2  PHE   3           2HE      PHE   3  -3.890  19.156  -8.435
   31    HZ   PHE   3           HZ       PHE   3  -6.239  19.419  -7.739
   32    H    PHE   4           H        PHE   4  -4.629  12.211 -10.664
   33    HA   PHE   4           HA       PHE   4  -5.353  11.338  -7.984
   34   1HB   PHE   4          2HB       PHE   4  -5.963  10.162 -10.703
   35   2HB   PHE   4          1HB       PHE   4  -6.559   9.516  -9.179
   36    HD1  PHE   4           1HD      PHE   4  -6.509  12.676 -11.151
   37    HD2  PHE   4           2HD      PHE   4  -8.613  10.205  -8.398
   38    HE1  PHE   4           1HE      PHE   4  -8.442  14.193 -11.273
   39    HE2  PHE   4           2HE      PHE   4 -10.550  11.716  -8.516
   40    HZ   PHE   4           HZ       PHE   4 -10.467  13.715  -9.954
   41    H    GLU   5           H        GLU   5  -3.578  10.572  -6.951
   42    HA   GLU   5           HA       GLU   5  -1.929   8.570  -8.329
   43   1HB   GLU   5          2HB       GLU   5  -1.422  10.279  -5.897
   44   2HB   GLU   5          1HB       GLU   5  -0.374   8.944  -6.352
   45   1HG   GLU   5          2HG       GLU   5  -0.107  10.076  -8.589
   46   2HG   GLU   5          1HG       GLU   5  -0.910  11.474  -7.876
   47    H    MET   6           H        MET   6  -3.602   6.955  -8.056
   48    HA   MET   6           HA       MET   6  -4.648   5.221  -7.014
   49   1HB   MET   6          2HB       MET   6  -1.886   5.324  -6.106
   50   2HB   MET   6          1HB       MET   6  -2.932   4.498  -4.959
   51   1HG   MET   6          2HG       MET   6  -3.774   3.195  -7.018
   52   2HG   MET   6          1HG       MET   6  -2.306   3.788  -7.793
   53   1HE   MET   6          1HE       MET   6  -0.644   0.673  -7.454
   54   2HE   MET   6          2HE       MET   6   0.242   2.186  -7.259
   55   3HE   MET   6          3HE       MET   6  -1.139   2.106  -8.352
   56    H    GLN   7           H        GLN   7  -4.976   4.271  -4.565
   57    HA   GLN   7           HA       GLN   7  -5.598   6.465  -2.746
   58   1HB   GLN   7          2HB       GLN   7  -7.679   4.488  -3.697
   59   2HB   GLN   7          1HB       GLN   7  -7.915   5.695  -2.442
   60   1HG   GLN   7          2HG       GLN   7  -7.223   6.343  -5.296
   61   2HG   GLN   7          1HG       GLN   7  -8.865   6.304  -4.655
   62   1HE2  GLN   7          1HE2      GLN   7  -8.738   7.516  -2.308
   63   2HE2  GLN   7          2HE2      GLN   7  -8.173   9.142  -2.458
   64    H    ALA   8           H        ALA   8  -6.952   5.220  -0.801
   65    HA   ALA   8           HA       ALA   8  -4.960   3.469   0.320
   66   1HB   ALA   8          1HB       ALA   8  -5.977   3.819   2.358
   67   2HB   ALA   8          2HB       ALA   8  -7.580   4.007   1.647
   68   3HB   ALA   8          3HB       ALA   8  -6.391   5.302   1.498
   69    H    CYS   9           H        CYS   9  -5.462   1.387   1.283
   70    HA   CYS   9           HA       CYS   9  -6.750  -0.354  -0.526
   71   1HB   CYS   9          2HB       CYS   9  -4.864  -0.860   1.162
   72   2HB   CYS   9          1HB       CYS   9  -6.156  -1.065   2.336
   73    H    TRP  10           H        TRP  10  -7.838   1.323   2.318
   74    HA   TRP  10           HA       TRP  10 -10.265  -0.256   2.525
   75   1HB   TRP  10          2HB       TRP  10 -10.599   2.017   4.117
   76   2HB   TRP  10          1HB       TRP  10 -10.109   0.427   4.659
   77    HD1  TRP  10           HD       TRP  10  -7.282   0.060   4.667
   78    HE1  TRP  10           1HE      TRP  10  -5.499   1.780   5.385
   79    HE3  TRP  10           3HE      TRP  10 -10.071   4.273   4.264
   80    HZ2  TRP  10           2HZ      TRP  10  -5.320   4.591   5.733
   81    HZ3  TRP  10           3HZ      TRP  10  -9.048   6.455   4.798
   82    HH2  TRP  10           HH       TRP  10  -6.716   6.606   5.521
   83    H    SER  11           H        SER  11  -9.208   2.808   1.236
   84    HA   SER  11           HA       SER  11 -11.659   4.088   0.904
   85   1HB   SER  11          2HB       SER  11  -8.957   4.334  -0.221
   86   2HB   SER  11          1HB       SER  11 -10.234   4.891  -1.302
   87    HG   SER  11           HG       SER  11 -10.711   6.475   0.045
   88    H    HIS  12           H        HIS  12 -10.207   1.470  -0.878
   89    HA   HIS  12           HA       HIS  12 -12.405   1.571  -2.832
   90   1HB   HIS  12          2HB       HIS  12  -9.603   0.518  -2.975
   91   2HB   HIS  12          1HB       HIS  12 -10.840  -0.140  -4.040
   92    HD1  HIS  12           1HD      HIS  12 -10.548   0.897  -6.260
   93    HD2  HIS  12           2HD      HIS  12  -9.993   3.645  -3.194
   94    HE1  HIS  12           1HE      HIS  12 -10.146   3.102  -7.399
   95    HE2  HIS  12           2HE      HIS  12  -9.748   4.738  -5.525
   96    H    SER  13           H        SER  13 -11.796   0.157   0.012
   97    HA   SER  13           HA       SER  13 -12.592  -1.675   1.093
   98   1HB   SER  13          2HB       SER  13 -14.610  -0.942  -0.508
   99   2HB   SER  13          1HB       SER  13 -14.282  -2.530  -1.202
  100    HG   SER  13           HG       SER  13 -15.005  -1.892   1.457
  101    H    GLY  14           H        GLY  14 -10.454  -2.601   0.849
  102   1HA   GLY  14          2HA       GLY  14 -10.557  -5.067  -0.746
  103   2HA   GLY  14          1HA       GLY  14  -9.161  -4.012  -0.900
  104    H    VAL  15           H        VAL  15  -7.975  -5.943  -0.209
  105    HA   VAL  15           HA       VAL  15  -7.774  -6.008   2.714
  106    HB   VAL  15           HB       VAL  15  -7.731  -8.532   1.062
  107   1HG1  VAL  15          1HG1      VAL  15  -7.967  -9.574   3.342
  108   2HG1  VAL  15          2HG1      VAL  15  -7.633  -7.979   4.018
  109   3HG1  VAL  15          3HG1      VAL  15  -6.421  -8.786   3.024
  110   1HG2  VAL  15          1HG2      VAL  15  -9.910  -8.982   2.329
  111   2HG2  VAL  15          2HG2      VAL  15  -9.974  -7.869   0.962
  112   3HG2  VAL  15          3HG2      VAL  15  -9.956  -7.241   2.609
  113    H    CYS  16           H        CYS  16  -5.724  -6.821   3.492
  114    HA   CYS  16           HA       CYS  16  -3.572  -6.502   1.510
  115   1HB   CYS  16          2HB       CYS  16  -3.755  -5.737   4.411
  116   2HB   CYS  16          1HB       CYS  16  -2.191  -5.974   3.641
  117    H    ARG  17           H        ARG  17  -2.942  -8.482   0.929
  118    HA   ARG  17           HA       ARG  17  -2.561 -10.503   3.035
  119   1HB   ARG  17          2HB       ARG  17  -2.745 -11.057   0.079
  120   2HB   ARG  17          1HB       ARG  17  -2.896 -12.200   1.406
  121   1HG   ARG  17          2HG       ARG  17  -4.857 -10.019   1.435
  122   2HG   ARG  17          1HG       ARG  17  -4.976 -11.115   0.056
  123   1HD   ARG  17          2HD       ARG  17  -6.374 -11.821   1.962
  124   2HD   ARG  17          1HD       ARG  17  -5.153 -13.017   1.530
  125    HE   ARG  17           HE       ARG  17  -4.334 -11.211   3.616
  126   1HH1  ARG  17          1HH1      ARG  17  -5.980 -14.205   2.895
  127   2HH1  ARG  17          2HH1      ARG  17  -5.717 -14.873   4.471
  128   1HH2  ARG  17          1HH2      ARG  17  -3.987 -12.090   5.689
  129   2HH2  ARG  17          2HH2      ARG  17  -4.587 -13.673   6.057
  130    H    ASP  18           H        ASP  18  -0.716 -11.922   2.848
  131    HA   ASP  18           HA       ASP  18   1.704 -10.617   2.600
  132   1HB   ASP  18          2HB       ASP  18   0.852 -13.167   3.363
  133   2HB   ASP  18          1HB       ASP  18   1.976 -13.455   2.037
  134    H    LYS  19           H        LYS  19   3.081 -10.209   1.000
  135    HA   LYS  19           HA       LYS  19   2.305 -10.153  -1.651
  136   1HB   LYS  19          2HB       LYS  19   4.774  -9.879  -2.141
  137   2HB   LYS  19          1HB       LYS  19   4.086  -8.746  -0.987
  138   1HG   LYS  19          2HG       LYS  19   5.516  -9.373   0.583
  139   2HG   LYS  19          1HG       LYS  19   5.088 -11.072   0.373
  140   1HD   LYS  19          2HD       LYS  19   7.202 -11.303  -0.345
  141   2HD   LYS  19          1HD       LYS  19   6.598 -10.605  -1.848
  142   1HE   LYS  19          2HE       LYS  19   7.472  -8.762   0.316
  143   2HE   LYS  19          1HE       LYS  19   8.710  -9.614  -0.605
  144   1HZ   LYS  19          1HZ       LYS  19   7.814  -7.310  -1.391
  145   2HZ   LYS  19          2HZ       LYS  19   6.567  -8.237  -2.061
  146   3HZ   LYS  19          3HZ       LYS  19   8.170  -8.519  -2.521
  147    H    SER  20           H        SER  20   3.626 -12.789   0.158
  148    HA   SER  20           HA       SER  20   4.261 -14.296  -2.258
  149   1HB   SER  20          2HB       SER  20   5.407 -14.236   0.255
  150   2HB   SER  20          1HB       SER  20   4.481 -15.737   0.277
  151    HG   SER  20           HG       SER  20   5.539 -16.140  -1.832
  152    H    GLU  21           H        GLU  21   1.447 -13.592  -1.063
  153    HA   GLU  21           HA       GLU  21   0.354 -16.230  -0.711
  154   1HB   GLU  21          2HB       GLU  21  -0.460 -14.552   0.779
  155   2HB   GLU  21          1HB       GLU  21  -0.806 -13.450  -0.547
  156   1HG   GLU  21          2HG       GLU  21  -2.745 -14.443  -1.044
  157   2HG   GLU  21          1HG       GLU  21  -2.137 -16.046  -0.649
  158    H    ARG  22           H        ARG  22  -0.761 -17.295  -2.191
  159    HA   ARG  22           HA       ARG  22  -0.794 -16.297  -4.900
  160   1HB   ARG  22          2HB       ARG  22  -0.854 -18.878  -3.607
  161   2HB   ARG  22          1HB       ARG  22  -2.111 -18.768  -4.830
  162   1HG   ARG  22          2HG       ARG  22   0.321 -17.687  -5.872
  163   2HG   ARG  22          1HG       ARG  22   0.627 -19.285  -5.191
  164   1HD   ARG  22          2HD       ARG  22  -0.328 -20.254  -6.945
  165   2HD   ARG  22          1HD       ARG  22  -1.817 -19.351  -6.671
  166    HE   ARG  22           HE       ARG  22   0.231 -18.780  -8.613
  167   1HH1  ARG  22          1HH1      ARG  22  -2.423 -17.465  -6.766
  168   2HH1  ARG  22          2HH1      ARG  22  -2.724 -16.177  -7.882
  169   1HH2  ARG  22          1HH2      ARG  22  -0.165 -17.085 -10.081
  170   2HH2  ARG  22          2HH2      ARG  22  -1.443 -15.961  -9.764
  171    H    ASN  23           H        ASN  23  -2.953 -16.318  -2.297
  172    HA   ASN  23           HA       ASN  23  -5.303 -16.176  -4.036
  173   1HB   ASN  23          2HB       ASN  23  -4.908 -17.341  -1.539
  174   2HB   ASN  23          1HB       ASN  23  -5.824 -15.880  -1.186
  175   1HD2  ASN  23          1HD2      ASN  23  -7.655 -17.020  -0.612
  176   2HD2  ASN  23          2HD2      ASN  23  -8.646 -17.830  -1.773
  177    H    CYS  24           H        CYS  24  -3.517 -14.059  -4.240
  178    HA   CYS  24           HA       CYS  24  -5.156 -11.868  -3.180
  179   1HB   CYS  24          2HB       CYS  24  -3.210 -12.031  -1.719
  180   2HB   CYS  24          1HB       CYS  24  -2.133 -12.003  -3.109
  181    H    LYS  25           H        LYS  25  -5.926 -10.778  -4.856
  182    HA   LYS  25           HA       LYS  25  -4.355 -10.670  -7.338
  183   1HB   LYS  25          2HB       LYS  25  -7.260 -10.676  -6.722
  184   2HB   LYS  25          1HB       LYS  25  -6.743  -9.713  -8.100
  185   1HG   LYS  25          2HG       LYS  25  -5.433 -12.169  -8.368
  186   2HG   LYS  25          1HG       LYS  25  -7.084 -12.556  -7.880
  187   1HD   LYS  25          2HD       LYS  25  -7.364 -12.430 -10.148
  188   2HD   LYS  25          1HD       LYS  25  -7.679 -10.750  -9.712
  189   1HE   LYS  25          2HE       LYS  25  -6.033 -10.115 -11.058
  190   2HE   LYS  25          1HE       LYS  25  -4.888 -11.005 -10.056
  191   1HZ   LYS  25          1HZ       LYS  25  -5.924 -12.980 -11.507
  192   2HZ   LYS  25          2HZ       LYS  25  -4.541 -12.119 -11.961
  193   3HZ   LYS  25          3HZ       LYS  25  -6.044 -11.712 -12.621
  194    HA   PRO  26           HA       PRO  26  -3.399  -6.484  -5.775
  195   1HB   PRO  26          2HB       PRO  26  -2.082  -6.511  -8.454
  196   2HB   PRO  26          1HB       PRO  26  -1.455  -5.955  -6.897
  197   1HG   PRO  26          2HG       PRO  26  -0.673  -8.284  -7.915
  198   2HG   PRO  26          1HG       PRO  26  -0.968  -8.105  -6.175
  199   1HD   PRO  26          2HD       PRO  26  -2.635  -9.440  -8.254
  200   2HD   PRO  26          1HD       PRO  26  -2.402  -9.863  -6.546
  201    H    MET  27           H        MET  27  -4.744  -4.825  -5.992
  202    HA   MET  27           HA       MET  27  -6.127  -4.456  -8.565
  203   1HB   MET  27          2HB       MET  27  -7.040  -4.417  -5.804
  204   2HB   MET  27          1HB       MET  27  -7.483  -2.944  -6.656
  205   1HG   MET  27          2HG       MET  27  -8.086  -5.733  -7.609
  206   2HG   MET  27          1HG       MET  27  -9.217  -4.684  -6.756
  207   1HE   MET  27          1HE       MET  27 -10.796  -4.599 -10.235
  208   2HE   MET  27          2HE       MET  27 -10.745  -5.383  -8.656
  209   3HE   MET  27          3HE       MET  27  -9.717  -5.967  -9.964
  210    H    ALA  28           H        ALA  28  -6.064  -2.504  -9.580
  211    HA   ALA  28           HA       ALA  28  -3.967  -0.707  -8.863
  212   1HB   ALA  28          1HB       ALA  28  -5.502   0.548 -10.816
  213   2HB   ALA  28          2HB       ALA  28  -5.671  -1.176 -11.148
  214   3HB   ALA  28          3HB       ALA  28  -4.067  -0.446 -11.069
  215    H    TRP  29           H        TRP  29  -4.769   1.784  -9.330
  216    HA   TRP  29           HA       TRP  29  -5.490   3.602  -8.162
  217   1HB   TRP  29          2HB       TRP  29  -8.214   2.413  -8.016
  218   2HB   TRP  29          1HB       TRP  29  -7.708   4.018  -8.526
  219    HD1  TRP  29           HD       TRP  29  -8.985   0.882  -9.913
  220    HE1  TRP  29           1HE      TRP  29  -8.662   0.800 -12.465
  221    HE3  TRP  29           3HE      TRP  29  -5.718   4.778 -10.444
  222    HZ2  TRP  29           2HZ      TRP  29  -7.213   2.199 -14.442
  223    HZ3  TRP  29           3HZ      TRP  29  -4.910   5.341 -12.699
  224    HH2  TRP  29           HH       TRP  29  -5.643   4.078 -14.656
  225    H    THR  30           H        THR  30  -4.535   1.403  -6.484
  226    HA   THR  30           HA       THR  30  -5.325   2.424  -3.972
  227    HB   THR  30           HB       THR  30  -7.355   1.107  -4.445
  228    HG1  THR  30           1HG      THR  30  -6.367   1.289  -2.280
  229   1HG2  THR  30          1HG2      THR  30  -5.432  -0.959  -5.130
  230   2HG2  THR  30          2HG2      THR  30  -7.138  -0.809  -5.548
  231   3HG2  THR  30          3HG2      THR  30  -6.668  -1.503  -3.997
  232    H    TYR  31           H        TYR  31  -4.075   1.640  -2.265
  233    HA   TYR  31           HA       TYR  31  -2.074  -0.405  -2.904
  234   1HB   TYR  31          2HB       TYR  31  -0.306   1.010  -1.876
  235   2HB   TYR  31          1HB       TYR  31  -0.962   1.702  -3.356
  236    HD1  TYR  31           1HD      TYR  31  -1.864   3.870  -3.360
  237    HD2  TYR  31           2HD      TYR  31  -1.160   1.906   0.348
  238    HE1  TYR  31           1HE      TYR  31  -2.346   5.965  -2.167
  239    HE2  TYR  31           2HE      TYR  31  -1.642   3.995   1.552
  240    HH   TYR  31           HH       TYR  31  -1.668   6.385   1.156
  241    H    CYS  32           H        CYS  32  -0.763  -0.909  -0.818
  242    HA   CYS  32           HA       CYS  32  -2.731  -1.242   1.327
  243   1HB   CYS  32          2HB       CYS  32  -1.690  -3.277   0.434
  244   2HB   CYS  32          1HB       CYS  32  -0.103  -2.671   0.880
  245    H    GLU  33           H        GLU  33  -1.992  -1.104   3.549
  246    HA   GLU  33           HA       GLU  33  -0.656   1.362   4.034
  247   1HB   GLU  33          2HB       GLU  33  -2.518   0.071   5.399
  248   2HB   GLU  33          1HB       GLU  33  -1.123  -0.603   6.230
  249   1HG   GLU  33          2HG       GLU  33  -0.548   2.069   6.206
  250   2HG   GLU  33          1HG       GLU  33  -2.301   2.059   6.391
  251    H    ASN  34           H        ASN  34   0.282  -2.019   4.288
  252    HA   ASN  34           HA       ASN  34   2.851  -1.325   5.457
  253   1HB   ASN  34          2HB       ASN  34   1.595  -3.348   6.199
  254   2HB   ASN  34          1HB       ASN  34   1.812  -4.030   4.591
  255   1HD2  ASN  34          1HD2      ASN  34   3.229  -5.604   4.744
  256   2HD2  ASN  34          2HD2      ASN  34   4.747  -5.526   5.563
  257    H    ARG  35           H        ARG  35   4.862  -1.836   4.475
  258    HA   ARG  35           HA       ARG  35   4.812  -1.501   1.592
  259   1HB   ARG  35          2HB       ARG  35   6.569  -0.758   3.737
  260   2HB   ARG  35          1HB       ARG  35   7.472  -1.658   2.530
  261   1HG   ARG  35          2HG       ARG  35   6.315  -0.061   0.846
  262   2HG   ARG  35          1HG       ARG  35   6.039   0.946   2.268
  263   1HD   ARG  35          2HD       ARG  35   8.769  -0.137   1.710
  264   2HD   ARG  35          1HD       ARG  35   8.189   1.279   0.834
  265    HE   ARG  35           HE       ARG  35   9.032   1.170   3.563
  266   1HH1  ARG  35          1HH1      ARG  35   6.919   2.823   1.330
  267   2HH1  ARG  35          2HH1      ARG  35   6.868   4.281   2.264
  268   1HH2  ARG  35          1HH2      ARG  35   8.965   3.086   4.792
  269   2HH2  ARG  35          2HH2      ARG  35   8.029   4.430   4.229
  270    H    ASN  36           H        ASN  36   4.378  -4.129   3.256
  271    HA   ASN  36           HA       ASN  36   6.129  -5.762   1.544
  272   1HB   ASN  36          2HB       ASN  36   6.541  -5.636   4.177
  273   2HB   ASN  36          1HB       ASN  36   5.270  -6.854   4.177
  274   1HD2  ASN  36          1HD2      ASN  36   8.015  -6.169   2.036
  275   2HD2  ASN  36          2HD2      ASN  36   8.692  -7.757   2.117
  276    H    GLN  37           H        GLN  37   2.986  -5.091   2.701
  277    HA   GLN  37           HA       GLN  37   1.934  -7.618   1.656
  278   1HB   GLN  37          2HB       GLN  37   1.373  -6.339   3.986
  279   2HB   GLN  37          1HB       GLN  37   0.102  -5.704   2.953
  280   1HG   GLN  37          2HG       GLN  37  -0.766  -7.859   2.537
  281   2HG   GLN  37          1HG       GLN  37   0.659  -8.639   3.219
  282   1HE2  GLN  37          1HE2      GLN  37  -0.797  -9.827   4.560
  283   2HE2  GLN  37          2HE2      GLN  37  -1.447  -9.109   5.991
  284    H    LYS  38           H        LYS  38   0.274  -7.635   0.105
  285    HA   LYS  38           HA       LYS  38   0.136  -5.174  -1.497
  286   1HB   LYS  38          2HB       LYS  38  -1.003  -7.400  -2.884
  287   2HB   LYS  38          1HB       LYS  38   0.426  -6.466  -3.293
  288   1HG   LYS  38          2HG       LYS  38   1.656  -7.964  -1.626
  289   2HG   LYS  38          1HG       LYS  38   0.233  -9.003  -1.714
  290   1HD   LYS  38          2HD       LYS  38   1.177  -8.189  -4.342
  291   2HD   LYS  38          1HD       LYS  38   2.409  -9.054  -3.422
  292   1HE   LYS  38          2HE       LYS  38   1.378 -10.996  -3.749
  293   2HE   LYS  38          1HE       LYS  38  -0.145 -10.348  -3.142
  294   1HZ   LYS  38          1HZ       LYS  38   0.638  -9.560  -5.837
  295   2HZ   LYS  38          2HZ       LYS  38  -0.893  -9.918  -5.215
  296   3HZ   LYS  38          3HZ       LYS  38   0.165 -11.171  -5.626
  297    H    CYS  39           H        CYS  39  -1.816  -4.347  -2.208
  298    HA   CYS  39           HA       CYS  39  -4.122  -5.155  -0.611
  299   1HB   CYS  39          2HB       CYS  39  -3.532  -2.785  -0.596
  300   2HB   CYS  39          1HB       CYS  39  -3.695  -2.717  -2.346
  301    H    CYS  40           H        CYS  40  -5.100  -6.833  -1.550
  302    HA   CYS  40           HA       CYS  40  -5.617  -6.759  -4.427
  303   1HB   CYS  40          2HB       CYS  40  -6.567  -9.193  -3.532
  304   2HB   CYS  40          1HB       CYS  40  -5.006  -8.903  -4.273
  305    H    GLU  41           H        GLU  41  -7.745  -7.550  -5.171
  306    HA   GLU  41           HA       GLU  41  -9.818  -5.972  -4.138
  307   1HB   GLU  41          2HB       GLU  41  -9.447  -7.293  -6.456
  308   2HB   GLU  41          1HB       GLU  41 -10.568  -8.397  -5.671
  309   1HG   GLU  41          2HG       GLU  41 -11.968  -6.259  -5.239
  310   2HG   GLU  41          1HG       GLU  41 -10.985  -5.569  -6.529
  311    H    TYR  42           H        TYR  42  -9.781  -9.540  -4.225
  312    HA   TYR  42           HA       TYR  42 -11.296  -9.514  -1.698
  313   1HB   TYR  42          2HB       TYR  42 -12.122 -11.778  -2.437
  314   2HB   TYR  42          1HB       TYR  42 -12.674 -10.429  -3.423
  315    HD1  TYR  42           1HD      TYR  42 -10.617 -13.443  -3.326
  316    HD2  TYR  42           2HD      TYR  42 -11.821 -10.123  -5.697
  317    HE1  TYR  42           1HE      TYR  42  -9.749 -14.569  -5.332
  318    HE2  TYR  42           2HE      TYR  42 -10.958 -11.240  -7.710
  319    HH   TYR  42           HH       TYR  42 -10.503 -13.632  -8.438
  Start of MODEL   19
    1   1H    ILE   1          1HT       ILE   1  -3.755  18.698  -8.541
    2   2H    ILE   1          2HT       ILE   1  -2.466  18.148  -7.550
    3   3H    ILE   1          3HT       ILE   1  -3.474  17.018  -8.358
    4    HA   ILE   1           HA       ILE   1  -2.711  17.812 -10.462
    5    HB   ILE   1           HB       ILE   1  -2.196  20.114  -9.790
    6   1HG1  ILE   1          2HG1      ILE   1   0.031  20.298 -10.961
    7   2HG1  ILE   1          1HG1      ILE   1   0.103  18.538 -10.961
    8   1HG2  ILE   1          1HG2      ILE   1  -0.393  18.745  -7.938
    9   2HG2  ILE   1          2HG2      ILE   1  -1.148  20.335  -7.825
   10   3HG2  ILE   1          3HG2      ILE   1   0.331  20.125  -8.763
   11   1HD1  ILE   1          1HD1      ILE   1  -0.948  18.606 -12.907
   12   2HD1  ILE   1          2HD1      ILE   1  -1.292  20.327 -12.736
   13   3HD1  ILE   1          3HD1      ILE   1  -2.385  19.134 -12.032
   14    H    MED   2           H        DME   2  -1.057  16.660 -11.447
   15    HA   MED   2           HA       DME   2   0.682  15.127  -9.627
   16   1HB   MED   2          1HB       DME   2   1.197  15.917 -12.500
   17   2HB   MED   2          2HB       DME   2   2.265  14.934 -11.509
   18   1HG   MED   2          1HG       DME   2   1.640  17.397 -10.168
   19   2HG   MED   2          2HG       DME   2   2.260  17.714 -11.786
   20   1HE   MED   2          1HE       DME   2   3.313  17.842  -8.403
   21   2HE   MED   2          2HE       DME   2   4.626  16.696  -8.133
   22   3HE   MED   2          3HE       DME   2   2.967  16.116  -8.288
   23    H    PHE   3           H        PHE   3   1.554  13.116 -11.091
   24    HA   PHE   3           HA       PHE   3  -0.742  11.842 -12.387
   25   1HB   PHE   3          2HB       PHE   3   2.166  11.646 -12.656
   26   2HB   PHE   3          1HB       PHE   3   1.368  10.078 -12.609
   27    HD1  PHE   3           1HD      PHE   3   0.195   9.260 -14.466
   28    HD2  PHE   3           2HD      PHE   3   1.437  13.329 -14.371
   29    HE1  PHE   3           1HE      PHE   3  -0.417   9.499 -16.837
   30    HE2  PHE   3           2HE      PHE   3   0.826  13.576 -16.742
   31    HZ   PHE   3           HZ       PHE   3  -0.103  11.658 -17.978
   32    H    PHE   4           H        PHE   4   1.451  11.492  -9.666
   33    HA   PHE   4           HA       PHE   4   0.638   8.909  -8.865
   34   1HB   PHE   4          2HB       PHE   4   2.079  11.179  -7.568
   35   2HB   PHE   4          1HB       PHE   4   1.469   9.884  -6.544
   36    HD1  PHE   4           1HD      PHE   4   2.237   7.541  -6.958
   37    HD2  PHE   4           2HD      PHE   4   4.019  10.903  -8.863
   38    HE1  PHE   4           1HE      PHE   4   4.216   6.182  -7.496
   39    HE2  PHE   4           2HE      PHE   4   6.001   9.550  -9.406
   40    HZ   PHE   4           HZ       PHE   4   6.102   7.186  -8.723
   41    H    GLU   5           H        GLU   5  -1.609   8.792  -8.917
   42    HA   GLU   5           HA       GLU   5  -2.951  10.202  -6.710
   43   1HB   GLU   5          2HB       GLU   5  -3.560  10.284  -9.535
   44   2HB   GLU   5          1HB       GLU   5  -4.923   9.644  -8.627
   45   1HG   GLU   5          2HG       GLU   5  -5.015  12.085  -8.948
   46   2HG   GLU   5          1HG       GLU   5  -5.006  11.603  -7.253
   47    H    MET   6           H        MET   6  -2.345   8.187  -5.585
   48    HA   MET   6           HA       MET   6  -3.832   5.807  -6.356
   49   1HB   MET   6          2HB       MET   6  -1.874   6.328  -4.116
   50   2HB   MET   6          1HB       MET   6  -2.664   4.782  -4.390
   51   1HG   MET   6          2HG       MET   6  -1.421   4.311  -6.235
   52   2HG   MET   6          1HG       MET   6  -1.189   6.008  -6.652
   53   1HE   MET   6          1HE       MET   6   0.981   5.565  -7.368
   54   2HE   MET   6          2HE       MET   6   1.686   4.085  -6.719
   55   3HE   MET   6          3HE       MET   6   2.409   5.648  -6.335
   56    H    GLN   7           H        GLN   7  -4.630   4.607  -4.153
   57    HA   GLN   7           HA       GLN   7  -6.110   6.463  -2.470
   58   1HB   GLN   7          2HB       GLN   7  -7.357   4.612  -4.461
   59   2HB   GLN   7          1HB       GLN   7  -8.187   4.917  -2.941
   60   1HG   GLN   7          2HG       GLN   7  -7.484   7.437  -3.822
   61   2HG   GLN   7          1HG       GLN   7  -7.942   6.586  -5.296
   62   1HE2  GLN   7          1HE2      GLN   7 -10.051   5.802  -5.509
   63   2HE2  GLN   7          2HE2      GLN   7 -11.343   6.389  -4.524
   64    H    ALA   8           H        ALA   8  -6.749   5.595  -0.496
   65    HA   ALA   8           HA       ALA   8  -5.181   3.545   0.567
   66   1HB   ALA   8          1HB       ALA   8  -7.349   3.646   2.252
   67   2HB   ALA   8          2HB       ALA   8  -7.370   5.235   1.487
   68   3HB   ALA   8          3HB       ALA   8  -5.926   4.685   2.339
   69    H    CYS   9           H        CYS   9  -5.447   1.389   0.838
   70    HA   CYS   9           HA       CYS   9  -7.047  -0.076  -0.893
   71   1HB   CYS   9          2HB       CYS   9  -5.003  -0.858   0.410
   72   2HB   CYS   9          1HB       CYS   9  -6.086  -1.111   1.772
   73    H    TRP  10           H        TRP  10  -7.718   1.090   2.336
   74    HA   TRP  10           HA       TRP  10 -10.215  -0.396   2.478
   75   1HB   TRP  10          2HB       TRP  10 -10.220   1.402   4.598
   76   2HB   TRP  10          1HB       TRP  10  -9.728  -0.275   4.671
   77    HD1  TRP  10           HD       TRP  10  -6.948  -0.671   4.263
   78    HE1  TRP  10           1HE      TRP  10  -5.017   0.816   5.109
   79    HE3  TRP  10           3HE      TRP  10  -9.577   3.569   5.145
   80    HZ2  TRP  10           2HZ      TRP  10  -4.675   3.477   6.037
   81    HZ3  TRP  10           3HZ      TRP  10  -8.402   5.563   6.010
   82    HH2  TRP  10           HH       TRP  10  -5.997   5.511   6.449
   83    H    SER  11           H        SER  11  -9.094   2.663   1.434
   84    HA   SER  11           HA       SER  11 -11.378   4.235   1.893
   85   1HB   SER  11          2HB       SER  11  -9.348   5.347   1.324
   86   2HB   SER  11          1HB       SER  11  -9.181   4.424  -0.169
   87    HG   SER  11           HG       SER  11 -11.373   6.143   0.322
   88    H    HIS  12           H        HIS  12 -10.652   1.844  -0.548
   89    HA   HIS  12           HA       HIS  12 -13.114   2.582  -1.968
   90   1HB   HIS  12          2HB       HIS  12 -12.256   1.241  -3.852
   91   2HB   HIS  12          1HB       HIS  12 -11.166   2.547  -3.408
   92    HD1  HIS  12           1HD      HIS  12 -11.442  -1.173  -3.473
   93    HD2  HIS  12           2HD      HIS  12  -8.678   1.740  -2.416
   94    HE1  HIS  12           1HE      HIS  12  -9.263  -2.391  -3.182
   95    HE2  HIS  12           2HE      HIS  12  -7.578  -0.580  -2.710
   96    H    SER  13           H        SER  13 -11.354  -0.410  -1.072
   97    HA   SER  13           HA       SER  13 -13.023  -1.765   0.450
   98   1HB   SER  13          2HB       SER  13 -14.293  -1.543  -2.230
   99   2HB   SER  13          1HB       SER  13 -14.381  -3.115  -1.438
  100    HG   SER  13           HG       SER  13 -16.043  -1.300  -1.021
  101    H    GLY  14           H        GLY  14 -10.662  -2.374   0.463
  102   1HA   GLY  14          2HA       GLY  14 -10.354  -4.880  -1.032
  103   2HA   GLY  14          1HA       GLY  14  -9.066  -3.685  -1.096
  104    H    VAL  15           H        VAL  15  -7.932  -5.666  -0.255
  105    HA   VAL  15           HA       VAL  15  -7.818  -5.483   2.665
  106    HB   VAL  15           HB       VAL  15  -7.743  -8.144   1.244
  107   1HG1  VAL  15          1HG1      VAL  15  -7.510  -7.245   4.076
  108   2HG1  VAL  15          2HG1      VAL  15  -6.596  -8.476   3.204
  109   3HG1  VAL  15          3HG1      VAL  15  -8.246  -8.810   3.732
  110   1HG2  VAL  15          1HG2      VAL  15 -10.014  -7.021   2.877
  111   2HG2  VAL  15          2HG2      VAL  15  -9.966  -8.570   2.034
  112   3HG2  VAL  15          3HG2      VAL  15  -9.984  -7.065   1.115
  113    H    CYS  16           H        CYS  16  -5.799  -6.314   3.566
  114    HA   CYS  16           HA       CYS  16  -3.584  -6.000   1.661
  115   1HB   CYS  16          2HB       CYS  16  -3.824  -5.465   4.612
  116   2HB   CYS  16          1HB       CYS  16  -2.251  -5.635   3.841
  117    H    ARG  17           H        ARG  17  -3.108  -7.991   0.936
  118    HA   ARG  17           HA       ARG  17  -2.782 -10.152   2.903
  119   1HB   ARG  17          2HB       ARG  17  -2.876 -10.515  -0.083
  120   2HB   ARG  17          1HB       ARG  17  -3.163 -11.712   1.172
  121   1HG   ARG  17          2HG       ARG  17  -5.041  -9.605   1.505
  122   2HG   ARG  17          1HG       ARG  17  -5.041 -10.092  -0.189
  123   1HD   ARG  17          2HD       ARG  17  -5.997 -12.069   0.263
  124   2HD   ARG  17          1HD       ARG  17  -4.980 -12.339   1.677
  125    HE   ARG  17           HE       ARG  17  -7.029 -10.363   2.081
  126   1HH1  ARG  17          1HH1      ARG  17  -6.275 -13.769   2.184
  127   2HH1  ARG  17          2HH1      ARG  17  -7.529 -14.141   3.318
  128   1HH2  ARG  17          1HH2      ARG  17  -8.679 -10.849   3.574
  129   2HH2  ARG  17          2HH2      ARG  17  -8.895 -12.483   4.107
  130    H    ASP  18           H        ASP  18  -1.013 -11.720   2.422
  131    HA   ASP  18           HA       ASP  18   1.468 -10.372   2.308
  132   1HB   ASP  18          2HB       ASP  18   0.728 -12.702   3.376
  133   2HB   ASP  18          1HB       ASP  18   1.358 -13.314   1.851
  134    H    LYS  19           H        LYS  19   2.739  -9.894   0.654
  135    HA   LYS  19           HA       LYS  19   1.926 -10.090  -2.001
  136   1HB   LYS  19          2HB       LYS  19   4.349  -9.548  -2.521
  137   2HB   LYS  19          1HB       LYS  19   3.512  -8.423  -1.461
  138   1HG   LYS  19          2HG       LYS  19   4.996  -8.736   0.153
  139   2HG   LYS  19          1HG       LYS  19   4.791 -10.487   0.079
  140   1HD   LYS  19          2HD       LYS  19   6.316  -9.394  -2.161
  141   2HD   LYS  19          1HD       LYS  19   7.070  -9.111  -0.591
  142   1HE   LYS  19          2HE       LYS  19   6.370 -11.689  -0.305
  143   2HE   LYS  19          1HE       LYS  19   6.605 -11.636  -2.052
  144   1HZ   LYS  19          1HZ       LYS  19   8.558 -11.953  -0.181
  145   2HZ   LYS  19          2HZ       LYS  19   8.713 -10.328  -0.625
  146   3HZ   LYS  19          3HZ       LYS  19   8.799 -11.538  -1.804
  147    H    SER  20           H        SER  20   3.475 -12.424  -0.001
  148    HA   SER  20           HA       SER  20   4.392 -14.000  -2.276
  149   1HB   SER  20          2HB       SER  20   5.271 -13.692   0.380
  150   2HB   SER  20          1HB       SER  20   4.670 -15.344   0.261
  151    HG   SER  20           HG       SER  20   6.458 -14.203  -1.616
  152    H    GLU  21           H        GLU  21   1.474 -13.531  -1.486
  153    HA   GLU  21           HA       GLU  21   0.590 -16.193  -0.837
  154   1HB   GLU  21          2HB       GLU  21  -0.565 -14.429   0.267
  155   2HB   GLU  21          1HB       GLU  21  -0.819 -13.557  -1.238
  156   1HG   GLU  21          2HG       GLU  21  -2.572 -14.827  -1.836
  157   2HG   GLU  21          1HG       GLU  21  -1.909 -16.268  -1.073
  158    H    ARG  22           H        ARG  22  -0.185 -17.589  -2.248
  159    HA   ARG  22           HA       ARG  22   0.005 -16.987  -5.070
  160   1HB   ARG  22          2HB       ARG  22   0.115 -19.349  -3.406
  161   2HB   ARG  22          1HB       ARG  22  -0.966 -19.594  -4.768
  162   1HG   ARG  22          2HG       ARG  22   1.419 -18.314  -5.680
  163   2HG   ARG  22          1HG       ARG  22   1.843 -19.735  -4.723
  164   1HD   ARG  22          2HD       ARG  22   0.173 -21.021  -6.104
  165   2HD   ARG  22          1HD       ARG  22   0.066 -19.606  -7.152
  166    HE   ARG  22           HE       ARG  22   2.749 -20.207  -6.958
  167   1HH1  ARG  22          1HH1      ARG  22  -0.136 -21.824  -8.074
  168   2HH1  ARG  22          2HH1      ARG  22   0.702 -22.770  -9.258
  169   1HH2  ARG  22          1HH2      ARG  22   3.852 -21.450  -8.516
  170   2HH2  ARG  22          2HH2      ARG  22   2.966 -22.556  -9.510
  171    H    ASN  23           H        ASN  23  -2.438 -16.871  -2.759
  172    HA   ASN  23           HA       ASN  23  -4.503 -17.108  -4.846
  173   1HB   ASN  23          2HB       ASN  23  -4.473 -18.750  -2.807
  174   2HB   ASN  23          1HB       ASN  23  -5.138 -17.376  -1.926
  175   1HD2  ASN  23          1HD2      ASN  23  -6.767 -19.319  -1.855
  176   2HD2  ASN  23          2HD2      ASN  23  -8.048 -19.211  -3.009
  177    H    CYS  24           H        CYS  24  -3.798 -14.815  -5.217
  178    HA   CYS  24           HA       CYS  24  -5.530 -13.052  -3.659
  179   1HB   CYS  24          2HB       CYS  24  -2.926 -13.086  -3.005
  180   2HB   CYS  24          1HB       CYS  24  -2.863 -11.936  -4.336
  181    H    LYS  25           H        LYS  25  -6.254 -11.229  -4.769
  182    HA   LYS  25           HA       LYS  25  -5.746 -11.277  -7.669
  183   1HB   LYS  25          2HB       LYS  25  -8.185 -10.950  -6.055
  184   2HB   LYS  25          1HB       LYS  25  -8.032  -9.800  -7.377
  185   1HG   LYS  25          2HG       LYS  25  -8.790 -11.340  -8.767
  186   2HG   LYS  25          1HG       LYS  25  -7.363 -12.322  -8.431
  187   1HD   LYS  25          2HD       LYS  25  -8.515 -13.757  -7.140
  188   2HD   LYS  25          1HD       LYS  25  -9.425 -12.465  -6.356
  189   1HE   LYS  25          2HE       LYS  25 -10.135 -12.887  -9.163
  190   2HE   LYS  25          1HE       LYS  25 -10.452 -14.279  -8.127
  191   1HZ   LYS  25          1HZ       LYS  25 -11.603 -12.647  -6.604
  192   2HZ   LYS  25          2HZ       LYS  25 -12.387 -12.986  -8.064
  193   3HZ   LYS  25          3HZ       LYS  25 -11.535 -11.537  -7.879
  194    HA   PRO  26           HA       PRO  26  -3.488  -7.494  -6.283
  195   1HB   PRO  26          2HB       PRO  26  -2.907  -7.703  -9.207
  196   2HB   PRO  26          1HB       PRO  26  -1.820  -7.307  -7.870
  197   1HG   PRO  26          2HG       PRO  26  -1.785  -9.729  -8.972
  198   2HG   PRO  26          1HG       PRO  26  -1.594  -9.521  -7.223
  199   1HD   PRO  26          2HD       PRO  26  -3.936 -10.507  -8.767
  200   2HD   PRO  26          1HD       PRO  26  -3.394 -10.937  -7.132
  201    H    MET  27           H        MET  27  -4.591  -5.664  -6.101
  202    HA   MET  27           HA       MET  27  -6.304  -4.806  -8.339
  203   1HB   MET  27          2HB       MET  27  -7.038  -5.261  -5.728
  204   2HB   MET  27          1HB       MET  27  -6.771  -3.523  -5.742
  205   1HG   MET  27          2HG       MET  27  -8.632  -5.072  -7.526
  206   2HG   MET  27          1HG       MET  27  -9.082  -4.003  -6.199
  207   1HE   MET  27          1HE       MET  27 -10.359  -1.711  -8.947
  208   2HE   MET  27          2HE       MET  27 -10.451  -1.996  -7.210
  209   3HE   MET  27          3HE       MET  27 -10.706  -3.328  -8.336
  210    H    ALA  28           H        ALA  28  -5.341  -3.267  -9.491
  211    HA   ALA  28           HA       ALA  28  -3.208  -1.670  -8.543
  212   1HB   ALA  28          1HB       ALA  28  -3.908  -2.350 -10.973
  213   2HB   ALA  28          2HB       ALA  28  -3.072  -0.827 -10.674
  214   3HB   ALA  28          3HB       ALA  28  -4.819  -0.841 -10.910
  215    H    TRP  29           H        TRP  29  -3.595   0.866  -9.330
  216    HA   TRP  29           HA       TRP  29  -4.179   2.853  -8.389
  217   1HB   TRP  29          2HB       TRP  29  -7.026   1.957  -8.671
  218   2HB   TRP  29          1HB       TRP  29  -6.309   3.527  -9.004
  219    HD1  TRP  29           HD       TRP  29  -7.600   0.619 -10.773
  220    HE1  TRP  29           1HE      TRP  29  -6.791   0.580 -13.217
  221    HE3  TRP  29           3HE      TRP  29  -3.874   4.106 -10.452
  222    HZ2  TRP  29           2HZ      TRP  29  -4.834   1.858 -14.799
  223    HZ3  TRP  29           3HZ      TRP  29  -2.581   4.639 -12.477
  224    HH2  TRP  29           HH       TRP  29  -3.052   3.538 -14.604
  225    H    THR  30           H        THR  30  -3.415   1.454  -6.323
  226    HA   THR  30           HA       THR  30  -4.750   2.532  -4.139
  227    HB   THR  30           HB       THR  30  -6.582   1.044  -4.530
  228    HG1  THR  30           1HG      THR  30  -5.670   1.193  -2.334
  229   1HG2  THR  30          1HG2      THR  30  -4.829  -0.666  -5.706
  230   2HG2  THR  30          2HG2      THR  30  -6.488  -1.060  -5.255
  231   3HG2  THR  30          3HG2      THR  30  -5.157  -1.479  -4.177
  232    H    TYR  31           H        TYR  31  -3.774   1.991  -2.123
  233    HA   TYR  31           HA       TYR  31  -1.387   0.285  -2.318
  234   1HB   TYR  31          2HB       TYR  31  -0.143   1.943  -0.957
  235   2HB   TYR  31          1HB       TYR  31  -0.624   2.581  -2.526
  236    HD1  TYR  31           1HD      TYR  31  -1.796   2.457   1.017
  237    HD2  TYR  31           2HD      TYR  31  -1.652   4.654  -2.623
  238    HE1  TYR  31           1HE      TYR  31  -2.879   4.364   2.132
  239    HE2  TYR  31           2HE      TYR  31  -2.734   6.567  -1.519
  240    HH   TYR  31           HH       TYR  31  -4.242   6.343   1.487
  241    H    CYS  32           H        CYS  32  -0.540  -0.386  -0.189
  242    HA   CYS  32           HA       CYS  32  -2.763  -0.884   1.654
  243   1HB   CYS  32          2HB       CYS  32  -0.423  -2.407   0.782
  244   2HB   CYS  32          1HB       CYS  32  -0.648  -2.432   2.527
  245    H    GLU  33           H        GLU  33  -1.672  -1.365   4.005
  246    HA   GLU  33           HA       GLU  33  -0.807   1.250   4.878
  247   1HB   GLU  33          2HB       GLU  33  -1.031   0.305   7.150
  248   2HB   GLU  33          1HB       GLU  33  -2.487   0.092   6.187
  249   1HG   GLU  33          2HG       GLU  33  -2.426  -2.030   6.829
  250   2HG   GLU  33          1HG       GLU  33  -1.085  -2.219   5.700
  251    H    ASN  34           H        ASN  34   0.546  -1.977   4.576
  252    HA   ASN  34           HA       ASN  34   3.083  -1.039   5.708
  253   1HB   ASN  34          2HB       ASN  34   2.056  -3.184   6.533
  254   2HB   ASN  34          1HB       ASN  34   2.335  -3.863   4.932
  255   1HD2  ASN  34          1HD2      ASN  34   4.137  -2.018   7.373
  256   2HD2  ASN  34          2HD2      ASN  34   5.574  -2.973   7.279
  257    H    ARG  35           H        ARG  35   5.086  -1.601   4.600
  258    HA   ARG  35           HA       ARG  35   4.829  -1.156   1.736
  259   1HB   ARG  35          2HB       ARG  35   6.702  -0.409   3.743
  260   2HB   ARG  35          1HB       ARG  35   7.558  -1.365   2.542
  261   1HG   ARG  35          2HG       ARG  35   5.783   0.615   1.361
  262   2HG   ARG  35          1HG       ARG  35   7.029   1.322   2.392
  263   1HD   ARG  35          2HD       ARG  35   8.042   1.231   0.297
  264   2HD   ARG  35          1HD       ARG  35   8.658  -0.202   1.117
  265    HE   ARG  35           HE       ARG  35   6.380  -0.977  -0.263
  266   1HH1  ARG  35          1HH1      ARG  35   9.541   0.298  -1.010
  267   2HH1  ARG  35          2HH1      ARG  35   9.624  -0.473  -2.559
  268   1HH2  ARG  35          1HH2      ARG  35   6.486  -1.991  -2.300
  269   2HH2  ARG  35          2HH2      ARG  35   7.889  -1.771  -3.291
  270    H    ASN  36           H        ASN  36   4.406  -3.836   3.219
  271    HA   ASN  36           HA       ASN  36   5.990  -5.410   1.323
  272   1HB   ASN  36          2HB       ASN  36   6.844  -5.339   3.822
  273   2HB   ASN  36          1HB       ASN  36   5.546  -6.503   4.068
  274   1HD2  ASN  36          1HD2      ASN  36   7.906  -5.938   1.482
  275   2HD2  ASN  36          2HD2      ASN  36   8.517  -7.553   1.455
  276    H    GLN  37           H        GLN  37   3.063  -4.487   1.992
  277    HA   GLN  37           HA       GLN  37   1.851  -7.125   1.538
  278   1HB   GLN  37          2HB       GLN  37   1.431  -5.445   3.710
  279   2HB   GLN  37          1HB       GLN  37   0.052  -5.134   2.667
  280   1HG   GLN  37          2HG       GLN  37  -0.649  -7.374   2.751
  281   2HG   GLN  37          1HG       GLN  37   0.896  -7.909   3.410
  282   1HE2  GLN  37          1HE2      GLN  37  -0.772  -8.921   4.897
  283   2HE2  GLN  37          2HE2      GLN  37  -1.188  -8.019   6.310
  284    H    LYS  38           H        LYS  38   0.107  -7.207   0.074
  285    HA   LYS  38           HA       LYS  38  -0.020  -4.892  -1.732
  286   1HB   LYS  38          2HB       LYS  38  -1.166  -7.386  -2.743
  287   2HB   LYS  38          1HB       LYS  38  -0.012  -6.293  -3.489
  288   1HG   LYS  38          2HG       LYS  38   1.618  -7.408  -1.720
  289   2HG   LYS  38          1HG       LYS  38   0.451  -8.722  -1.863
  290   1HD   LYS  38          2HD       LYS  38   1.391  -7.498  -4.386
  291   2HD   LYS  38          1HD       LYS  38   2.565  -8.460  -3.486
  292   1HE   LYS  38          2HE       LYS  38   1.652 -10.304  -4.316
  293   2HE   LYS  38          1HE       LYS  38   0.145  -9.911  -3.491
  294   1HZ   LYS  38          1HZ       LYS  38   0.936  -9.283  -6.269
  295   2HZ   LYS  38          2HZ       LYS  38  -0.315  -8.444  -5.499
  296   3HZ   LYS  38          3HZ       LYS  38  -0.432 -10.117  -5.724
  297    H    CYS  39           H        CYS  39  -2.051  -4.340  -2.691
  298    HA   CYS  39           HA       CYS  39  -4.292  -4.826  -0.874
  299   1HB   CYS  39          2HB       CYS  39  -3.742  -2.481  -1.296
  300   2HB   CYS  39          1HB       CYS  39  -3.925  -2.732  -3.028
  301    H    CYS  40           H        CYS  40  -5.355  -6.601  -1.461
  302    HA   CYS  40           HA       CYS  40  -5.830  -7.139  -4.292
  303   1HB   CYS  40          2HB       CYS  40  -5.744  -8.758  -1.804
  304   2HB   CYS  40          1HB       CYS  40  -6.827  -9.296  -3.075
  305    H    GLU  41           H        GLU  41  -7.988  -7.983  -4.888
  306    HA   GLU  41           HA       GLU  41 -10.016  -6.147  -4.191
  307   1HB   GLU  41          2HB       GLU  41  -9.654  -7.713  -6.311
  308   2HB   GLU  41          1HB       GLU  41 -10.732  -8.770  -5.411
  309   1HG   GLU  41          2HG       GLU  41 -12.471  -7.171  -5.432
  310   2HG   GLU  41          1HG       GLU  41 -11.391  -5.902  -6.005
  311    H    TYR  42           H        TYR  42  -9.927  -9.677  -3.661
  312    HA   TYR  42           HA       TYR  42 -11.463  -9.245  -1.186
  313   1HB   TYR  42          2HB       TYR  42 -12.079 -10.940  -3.506
  314   2HB   TYR  42          1HB       TYR  42 -12.189 -11.777  -1.960
  315    HD1  TYR  42           1HD      TYR  42 -14.211 -10.440  -4.240
  316    HD2  TYR  42           2HD      TYR  42 -13.261  -9.834  -0.138
  317    HE1  TYR  42           1HE      TYR  42 -16.436  -9.460  -3.876
  318    HE2  TYR  42           2HE      TYR  42 -15.483  -8.853   0.238
  319    HH   TYR  42           HH       TYR  42 -17.459  -7.797  -2.174
  Start of MODEL   20
    1   1H    ILE   1          1HT       ILE   1   0.427  14.241 -10.903
    2   2H    ILE   1          2HT       ILE   1   1.972  14.768 -11.435
    3   3H    ILE   1          3HT       ILE   1   1.486  13.140 -11.680
    4    HA   ILE   1           HA       ILE   1   0.469  15.574 -12.964
    5    HB   ILE   1           HB       ILE   1   1.505  13.013 -14.175
    6   1HG1  ILE   1          2HG1      ILE   1   3.418  14.858 -14.733
    7   2HG1  ILE   1          1HG1      ILE   1   2.933  15.379 -13.122
    8   1HG2  ILE   1          1HG2      ILE   1  -0.036  14.500 -15.499
    9   2HG2  ILE   1          2HG2      ILE   1   1.540  14.196 -16.230
   10   3HG2  ILE   1          3HG2      ILE   1   1.222  15.734 -15.427
   11   1HD1  ILE   1          1HD1      ILE   1   3.215  12.603 -12.968
   12   2HD1  ILE   1          2HD1      ILE   1   4.282  13.837 -12.297
   13   3HD1  ILE   1          3HD1      ILE   1   4.593  13.182 -13.904
   14    H    MED   2           H        DME   2  -1.520  15.557 -13.851
   15    HA   MED   2           HA       DME   2  -2.992  13.060 -14.099
   16   1HB   MED   2          1HB       DME   2  -3.719  15.883 -14.902
   17   2HB   MED   2          2HB       DME   2  -4.699  14.460 -15.229
   18   1HG   MED   2          1HG       DME   2  -3.401  13.790 -16.935
   19   2HG   MED   2          2HG       DME   2  -1.912  14.312 -16.150
   20   1HE   MED   2          1HE       DME   2  -0.517  15.827 -17.384
   21   2HE   MED   2          2HE       DME   2  -1.095  16.923 -16.130
   22   3HE   MED   2          3HE       DME   2  -1.004  17.470 -17.804
   23    H    PHE   3           H        PHE   3  -4.809  12.525 -12.962
   24    HA   PHE   3           HA       PHE   3  -5.361  14.172 -10.594
   25   1HB   PHE   3          2HB       PHE   3  -7.164  13.621 -12.783
   26   2HB   PHE   3          1HB       PHE   3  -7.799  12.950 -11.284
   27    HD1  PHE   3           1HD      PHE   3  -5.986  16.077 -12.229
   28    HD2  PHE   3           2HD      PHE   3  -9.335  14.313 -10.285
   29    HE1  PHE   3           1HE      PHE   3  -6.774  18.312 -11.569
   30    HE2  PHE   3           2HE      PHE   3 -10.131  16.545  -9.622
   31    HZ   PHE   3           HZ       PHE   3  -8.849  18.548 -10.264
   32    H    PHE   4           H        PHE   4  -5.906  11.019 -12.145
   33    HA   PHE   4           HA       PHE   4  -6.556   9.627  -9.783
   34   1HB   PHE   4          2HB       PHE   4  -5.732   8.861 -12.543
   35   2HB   PHE   4          1HB       PHE   4  -5.633   7.632 -11.286
   36    HD1  PHE   4           1HD      PHE   4  -7.589   8.576 -13.846
   37    HD2  PHE   4           2HD      PHE   4  -7.902   7.932  -9.651
   38    HE1  PHE   4           1HE      PHE   4  -9.996   8.135 -14.098
   39    HE2  PHE   4           2HE      PHE   4 -10.310   7.488  -9.896
   40    HZ   PHE   4           HZ       PHE   4 -11.360   7.590 -12.122
   41    H    GLU   5           H        GLU   5  -5.106  10.049  -8.146
   42    HA   GLU   5           HA       GLU   5  -2.340   9.138  -8.581
   43   1HB   GLU   5          2HB       GLU   5  -3.131  11.568  -7.671
   44   2HB   GLU   5          1HB       GLU   5  -2.959  10.702  -6.151
   45   1HG   GLU   5          2HG       GLU   5  -0.734  10.378  -8.041
   46   2HG   GLU   5          1HG       GLU   5  -0.957  12.004  -7.397
   47    H    MET   6           H        MET   6  -3.625   7.000  -8.292
   48    HA   MET   6           HA       MET   6  -4.089   5.145  -7.062
   49   1HB   MET   6          2HB       MET   6  -1.689   6.357  -5.999
   50   2HB   MET   6          1HB       MET   6  -2.543   5.460  -4.750
   51   1HG   MET   6          2HG       MET   6  -2.542   3.845  -7.057
   52   2HG   MET   6          1HG       MET   6  -0.912   4.490  -6.883
   53   1HE   MET   6          1HE       MET   6   0.781   3.001  -5.771
   54   2HE   MET   6          2HE       MET   6  -0.220   1.894  -6.712
   55   3HE   MET   6          3HE       MET   6   0.273   1.462  -5.075
   56    H    GLN   7           H        GLN   7  -4.617   4.383  -4.675
   57    HA   GLN   7           HA       GLN   7  -6.042   6.420  -3.164
   58   1HB   GLN   7          2HB       GLN   7  -7.398   4.082  -4.502
   59   2HB   GLN   7          1HB       GLN   7  -8.116   4.948  -3.152
   60   1HG   GLN   7          2HG       GLN   7  -7.255   6.335  -5.668
   61   2HG   GLN   7          1HG       GLN   7  -8.853   5.616  -5.481
   62   1HE2  GLN   7          1HE2      GLN   7  -9.914   6.275  -3.317
   63   2HE2  GLN   7          2HE2      GLN   7  -9.861   7.965  -2.958
   64    H    ALA   8           H        ALA   8  -7.391   4.999  -1.367
   65    HA   ALA   8           HA       ALA   8  -5.282   3.488  -0.014
   66   1HB   ALA   8          1HB       ALA   8  -7.590   5.108   0.864
   67   2HB   ALA   8          2HB       ALA   8  -5.976   4.958   1.560
   68   3HB   ALA   8          3HB       ALA   8  -7.186   3.712   1.864
   69    H    CYS   9           H        CYS   9  -5.591   1.424   0.814
   70    HA   CYS   9           HA       CYS   9  -7.159  -0.338  -0.699
   71   1HB   CYS   9          2HB       CYS   9  -5.066  -0.789   0.768
   72   2HB   CYS   9          1HB       CYS   9  -6.223  -1.005   2.076
   73    H    TRP  10           H        TRP  10  -7.871   1.477   2.166
   74    HA   TRP  10           HA       TRP  10 -10.248  -0.088   2.766
   75   1HB   TRP  10          2HB       TRP  10 -10.354   2.243   4.306
   76   2HB   TRP  10          1HB       TRP  10  -9.804   0.669   4.835
   77    HD1  TRP  10           HD       TRP  10  -7.002   0.271   4.454
   78    HE1  TRP  10           1HE      TRP  10  -5.128   1.994   4.868
   79    HE3  TRP  10           3HE      TRP  10  -9.800   4.498   4.323
   80    HZ2  TRP  10           2HZ      TRP  10  -4.888   4.812   5.107
   81    HZ3  TRP  10           3HZ      TRP  10  -8.699   6.685   4.648
   82    HH2  TRP  10           HH       TRP  10  -6.289   6.832   5.034
   83    H    SER  11           H        SER  11  -9.382   3.042   1.416
   84    HA   SER  11           HA       SER  11 -11.906   4.214   1.301
   85   1HB   SER  11          2HB       SER  11  -9.698   5.321   0.780
   86   2HB   SER  11          1HB       SER  11  -9.751   4.530  -0.795
   87    HG   SER  11           HG       SER  11 -11.856   6.160   0.159
   88    H    HIS  12           H        HIS  12 -10.467   1.729  -0.670
   89    HA   HIS  12           HA       HIS  12 -12.739   1.810  -2.523
   90   1HB   HIS  12          2HB       HIS  12  -9.971   0.685  -2.681
   91   2HB   HIS  12          1HB       HIS  12 -11.237  -0.004  -3.690
   92    HD1  HIS  12           1HD      HIS  12 -12.672   2.765  -4.277
   93    HD2  HIS  12           2HD      HIS  12  -8.621   1.957  -4.725
   94    HE1  HIS  12           1HE      HIS  12 -11.834   4.443  -5.951
   95    HE2  HIS  12           2HE      HIS  12  -9.403   3.872  -6.280
   96    H    SER  13           H        SER  13 -11.699   0.194   0.242
   97    HA   SER  13           HA       SER  13 -12.583  -1.549   1.408
   98   1HB   SER  13          2HB       SER  13 -14.565  -2.303  -0.667
   99   2HB   SER  13          1HB       SER  13 -14.773  -2.100   1.072
  100    HG   SER  13           HG       SER  13 -14.631   0.193   0.683
  101    H    GLY  14           H        GLY  14 -10.584  -2.629   0.986
  102   1HA   GLY  14          2HA       GLY  14 -10.966  -5.013  -0.691
  103   2HA   GLY  14          1HA       GLY  14  -9.514  -4.047  -0.905
  104    H    VAL  15           H        VAL  15  -8.240  -5.876  -0.336
  105    HA   VAL  15           HA       VAL  15  -8.019  -6.212   2.566
  106    HB   VAL  15           HB       VAL  15  -7.894  -8.564   0.679
  107   1HG1  VAL  15          1HG1      VAL  15  -8.119  -9.801   2.891
  108   2HG1  VAL  15          2HG1      VAL  15  -7.735  -8.262   3.663
  109   3HG1  VAL  15          3HG1      VAL  15  -6.572  -9.013   2.571
  110   1HG2  VAL  15          1HG2      VAL  15 -10.186  -7.551   0.887
  111   2HG2  VAL  15          2HG2      VAL  15 -10.119  -7.930   2.607
  112   3HG2  VAL  15          3HG2      VAL  15 -10.057  -9.228   1.415
  113    H    CYS  16           H        CYS  16  -5.933  -6.752   3.298
  114    HA   CYS  16           HA       CYS  16  -3.821  -6.454   1.269
  115   1HB   CYS  16          2HB       CYS  16  -4.051  -5.350   4.053
  116   2HB   CYS  16          1HB       CYS  16  -2.472  -5.575   3.306
  117    H    ARG  17           H        ARG  17  -3.009  -8.411   0.916
  118    HA   ARG  17           HA       ARG  17  -2.484 -10.144   3.241
  119   1HB   ARG  17          2HB       ARG  17  -2.762 -10.988   0.354
  120   2HB   ARG  17          1HB       ARG  17  -2.619 -12.044   1.752
  121   1HG   ARG  17          2HG       ARG  17  -4.807 -10.433   2.321
  122   2HG   ARG  17          1HG       ARG  17  -4.960 -10.807   0.604
  123   1HD   ARG  17          2HD       ARG  17  -4.620 -13.217   1.187
  124   2HD   ARG  17          1HD       ARG  17  -4.703 -12.758   2.886
  125    HE   ARG  17           HE       ARG  17  -6.961 -11.890   1.328
  126   1HH1  ARG  17          1HH1      ARG  17  -5.608 -14.496   3.214
  127   2HH1  ARG  17          2HH1      ARG  17  -7.148 -15.196   3.582
  128   1HH2  ARG  17          1HH2      ARG  17  -8.988 -12.809   1.811
  129   2HH2  ARG  17          2HH2      ARG  17  -9.066 -14.240   2.785
  130    H    ASP  18           H        ASP  18  -0.611 -11.691   2.854
  131    HA   ASP  18           HA       ASP  18   1.760 -10.267   2.661
  132   1HB   ASP  18          2HB       ASP  18   1.122 -12.725   3.556
  133   2HB   ASP  18          1HB       ASP  18   1.872 -13.161   2.024
  134    H    LYS  19           H        LYS  19   3.239  -9.948   1.103
  135    HA   LYS  19           HA       LYS  19   2.403  -9.819  -1.575
  136   1HB   LYS  19          2HB       LYS  19   5.116  -9.594  -0.287
  137   2HB   LYS  19          1HB       LYS  19   4.879  -9.393  -2.017
  138   1HG   LYS  19          2HG       LYS  19   3.017  -7.774  -0.523
  139   2HG   LYS  19          1HG       LYS  19   4.684  -7.437  -0.052
  140   1HD   LYS  19          2HD       LYS  19   3.836  -7.568  -2.932
  141   2HD   LYS  19          1HD       LYS  19   3.715  -6.082  -1.988
  142   1HE   LYS  19          2HE       LYS  19   5.830  -5.677  -2.554
  143   2HE   LYS  19          1HE       LYS  19   6.282  -7.004  -1.485
  144   1HZ   LYS  19          1HZ       LYS  19   5.439  -7.753  -4.163
  145   2HZ   LYS  19          2HZ       LYS  19   6.691  -8.372  -3.208
  146   3HZ   LYS  19          3HZ       LYS  19   6.911  -6.926  -4.060
  147    H    SER  20           H        SER  20   3.666 -12.434   0.227
  148    HA   SER  20           HA       SER  20   4.599 -13.827  -2.166
  149   1HB   SER  20          2HB       SER  20   5.442 -13.818   0.513
  150   2HB   SER  20          1HB       SER  20   4.733 -15.411   0.247
  151    HG   SER  20           HG       SER  20   6.927 -15.404  -0.323
  152    H    GLU  21           H        GLU  21   1.673 -13.289  -1.323
  153    HA   GLU  21           HA       GLU  21   0.692 -15.993  -1.028
  154   1HB   GLU  21          2HB       GLU  21  -0.239 -13.542  -0.166
  155   2HB   GLU  21          1HB       GLU  21  -1.323 -13.940  -1.485
  156   1HG   GLU  21          2HG       GLU  21  -0.974 -16.259   0.109
  157   2HG   GLU  21          1HG       GLU  21  -1.332 -14.902   1.176
  158    H    ARG  22           H        ARG  22  -0.721 -16.931  -2.443
  159    HA   ARG  22           HA       ARG  22  -0.557 -15.994  -5.213
  160   1HB   ARG  22          2HB       ARG  22  -0.133 -18.597  -3.911
  161   2HB   ARG  22          1HB       ARG  22  -1.067 -18.652  -5.391
  162   1HG   ARG  22          2HG       ARG  22   1.155 -16.972  -5.850
  163   2HG   ARG  22          1HG       ARG  22   1.739 -18.432  -5.054
  164   1HD   ARG  22          2HD       ARG  22   1.508 -19.607  -6.929
  165   2HD   ARG  22          1HD       ARG  22  -0.181 -19.125  -7.072
  166    HE   ARG  22           HE       ARG  22   0.428 -17.551  -8.624
  167   1HH1  ARG  22          1HH1      ARG  22   3.288 -18.709  -6.993
  168   2HH1  ARG  22          2HH1      ARG  22   4.380 -17.910  -8.074
  169   1HH2  ARG  22          1HH2      ARG  22   1.862 -16.502 -10.048
  170   2HH2  ARG  22          2HH2      ARG  22   3.571 -16.656  -9.808
  171    H    ASN  23           H        ASN  23  -2.682 -16.369  -2.680
  172    HA   ASN  23           HA       ASN  23  -4.936 -17.034  -4.447
  173   1HB   ASN  23          2HB       ASN  23  -4.290 -18.100  -2.008
  174   2HB   ASN  23          1HB       ASN  23  -5.473 -16.875  -1.561
  175   1HD2  ASN  23          1HD2      ASN  23  -4.936 -19.569  -3.782
  176   2HD2  ASN  23          2HD2      ASN  23  -6.587 -20.076  -3.846
  177    H    CYS  24           H        CYS  24  -4.012 -14.511  -4.814
  178    HA   CYS  24           HA       CYS  24  -6.274 -12.947  -3.891
  179   1HB   CYS  24          2HB       CYS  24  -3.858 -12.742  -2.521
  180   2HB   CYS  24          1HB       CYS  24  -3.863 -11.352  -3.601
  181    H    LYS  25           H        LYS  25  -6.692 -11.096  -5.147
  182    HA   LYS  25           HA       LYS  25  -5.300 -11.099  -7.739
  183   1HB   LYS  25          2HB       LYS  25  -8.050 -10.009  -7.132
  184   2HB   LYS  25          1HB       LYS  25  -7.324 -10.229  -8.717
  185   1HG   LYS  25          2HG       LYS  25  -7.539 -12.551  -8.624
  186   2HG   LYS  25          1HG       LYS  25  -7.781 -12.548  -6.876
  187   1HD   LYS  25          2HD       LYS  25  -9.928 -11.315  -7.266
  188   2HD   LYS  25          1HD       LYS  25  -9.695 -11.581  -8.995
  189   1HE   LYS  25          2HE       LYS  25  -9.444 -14.079  -8.288
  190   2HE   LYS  25          1HE       LYS  25 -10.288 -13.556  -6.831
  191   1HZ   LYS  25          1HZ       LYS  25 -11.317 -13.076  -9.572
  192   2HZ   LYS  25          2HZ       LYS  25 -12.142 -12.866  -8.111
  193   3HZ   LYS  25          3HZ       LYS  25 -11.745 -14.422  -8.640
  194    HA   PRO  26           HA       PRO  26  -3.566  -7.261  -5.940
  195   1HB   PRO  26          2HB       PRO  26  -2.433  -7.327  -8.704
  196   2HB   PRO  26          1HB       PRO  26  -1.634  -6.962  -7.170
  197   1HG   PRO  26          2HG       PRO  26  -1.298  -9.328  -8.338
  198   2HG   PRO  26          1HG       PRO  26  -1.458  -9.197  -6.576
  199   1HD   PRO  26          2HD       PRO  26  -3.426 -10.159  -8.593
  200   2HD   PRO  26          1HD       PRO  26  -3.182 -10.677  -6.914
  201    H    MET  27           H        MET  27  -4.694  -5.435  -5.936
  202    HA   MET  27           HA       MET  27  -6.104  -4.631  -8.391
  203   1HB   MET  27          2HB       MET  27  -7.341  -5.129  -6.145
  204   2HB   MET  27          1HB       MET  27  -6.754  -3.539  -5.675
  205   1HG   MET  27          2HG       MET  27  -8.993  -3.366  -6.533
  206   2HG   MET  27          1HG       MET  27  -7.871  -2.566  -7.631
  207   1HE   MET  27          1HE       MET  27 -10.744  -4.508  -7.220
  208   2HE   MET  27          2HE       MET  27 -11.038  -5.340  -8.747
  209   3HE   MET  27          3HE       MET  27 -10.984  -3.577  -8.699
  210    H    ALA  28           H        ALA  28  -5.331  -2.927  -9.434
  211    HA   ALA  28           HA       ALA  28  -3.198  -1.356  -8.386
  212   1HB   ALA  28          1HB       ALA  28  -3.544  -1.939 -10.806
  213   2HB   ALA  28          2HB       ALA  28  -3.186  -0.243 -10.485
  214   3HB   ALA  28          3HB       ALA  28  -4.840  -0.744 -10.834
  215    H    TRP  29           H        TRP  29  -3.656   1.204  -9.175
  216    HA   TRP  29           HA       TRP  29  -4.339   3.165  -8.241
  217   1HB   TRP  29          2HB       TRP  29  -7.162   2.243  -8.337
  218   2HB   TRP  29          1HB       TRP  29  -6.443   3.737  -8.923
  219    HD1  TRP  29           HD       TRP  29  -8.042   0.796 -10.237
  220    HE1  TRP  29           1HE      TRP  29  -7.389   0.354 -12.688
  221    HE3  TRP  29           3HE      TRP  29  -3.956   3.853 -10.555
  222    HZ2  TRP  29           2HZ      TRP  29  -5.406   1.191 -14.513
  223    HZ3  TRP  29           3HZ      TRP  29  -2.737   3.976 -12.689
  224    HH2  TRP  29           HH       TRP  29  -3.448   2.671 -14.626
  225    H    THR  30           H        THR  30  -3.620   1.310  -6.263
  226    HA   THR  30           HA       THR  30  -4.739   2.491  -3.979
  227    HB   THR  30           HB       THR  30  -6.709   1.147  -4.557
  228    HG1  THR  30           1HG      THR  30  -5.987   1.458  -2.315
  229   1HG2  THR  30          1HG2      THR  30  -6.456  -0.855  -5.465
  230   2HG2  THR  30          2HG2      THR  30  -6.025  -1.440  -3.858
  231   3HG2  THR  30          3HG2      THR  30  -4.763  -0.937  -4.982
  232    H    TYR  31           H        TYR  31  -3.689   1.885  -2.073
  233    HA   TYR  31           HA       TYR  31  -1.689  -0.246  -2.256
  234   1HB   TYR  31          2HB       TYR  31   0.073   1.195  -1.381
  235   2HB   TYR  31          1HB       TYR  31  -0.546   1.845  -2.894
  236    HD1  TYR  31           1HD      TYR  31   0.308   2.611   0.436
  237    HD2  TYR  31           2HD      TYR  31  -2.441   3.651  -2.640
  238    HE1  TYR  31           1HE      TYR  31  -0.104   4.768   1.541
  239    HE2  TYR  31           2HE      TYR  31  -2.861   5.811  -1.543
  240    HH   TYR  31           HH       TYR  31  -1.709   7.332   0.030
  241    H    CYS  32           H        CYS  32  -0.470  -0.225   0.042
  242    HA   CYS  32           HA       CYS  32  -2.582  -0.104   2.096
  243   1HB   CYS  32          2HB       CYS  32  -1.510  -2.406   1.189
  244   2HB   CYS  32          1HB       CYS  32  -0.352  -2.026   2.458
  245    H    GLU  33           H        GLU  33  -1.310  -0.454   4.367
  246    HA   GLU  33           HA       GLU  33   0.284   1.938   4.622
  247   1HB   GLU  33          2HB       GLU  33  -1.451   0.497   6.295
  248   2HB   GLU  33          1HB       GLU  33   0.136   0.353   7.037
  249   1HG   GLU  33          2HG       GLU  33  -0.291   3.057   6.209
  250   2HG   GLU  33          1HG       GLU  33  -1.658   2.509   7.176
  251    H    ASN  34           H        ASN  34   0.753  -1.542   4.855
  252    HA   ASN  34           HA       ASN  34   3.543  -1.211   5.609
  253   1HB   ASN  34          2HB       ASN  34   1.721  -3.129   6.241
  254   2HB   ASN  34          1HB       ASN  34   2.563  -3.906   4.904
  255   1HD2  ASN  34          1HD2      ASN  34   5.010  -3.716   5.060
  256   2HD2  ASN  34          2HD2      ASN  34   5.697  -4.022   6.616
  257    H    ARG  35           H        ARG  35   5.292  -1.826   4.344
  258    HA   ARG  35           HA       ARG  35   4.805  -1.722   1.481
  259   1HB   ARG  35          2HB       ARG  35   6.896  -0.895   3.255
  260   2HB   ARG  35          1HB       ARG  35   7.571  -1.955   2.027
  261   1HG   ARG  35          2HG       ARG  35   6.205  -0.442   0.392
  262   2HG   ARG  35          1HG       ARG  35   6.273   0.707   1.729
  263   1HD   ARG  35          2HD       ARG  35   8.571  -0.543   0.241
  264   2HD   ARG  35          1HD       ARG  35   8.131   1.163   0.317
  265    HE   ARG  35           HE       ARG  35   9.720  -0.279   2.191
  266   1HH1  ARG  35          1HH1      ARG  35   7.419   2.330   1.914
  267   2HH1  ARG  35          2HH1      ARG  35   7.995   3.154   3.324
  268   1HH2  ARG  35          1HH2      ARG  35  10.479   0.803   4.044
  269   2HH2  ARG  35          2HH2      ARG  35   9.732   2.287   4.533
  270    H    ASN  36           H        ASN  36   4.256  -4.173   3.150
  271    HA   ASN  36           HA       ASN  36   5.745  -6.039   1.453
  272   1HB   ASN  36          2HB       ASN  36   6.597  -5.771   3.938
  273   2HB   ASN  36          1HB       ASN  36   5.214  -6.803   4.295
  274   1HD2  ASN  36          1HD2      ASN  36   7.611  -6.694   1.684
  275   2HD2  ASN  36          2HD2      ASN  36   8.099  -8.343   1.833
  276    H    GLN  37           H        GLN  37   2.923  -4.855   1.844
  277    HA   GLN  37           HA       GLN  37   1.514  -7.416   1.625
  278   1HB   GLN  37          2HB       GLN  37   1.246  -5.580   3.721
  279   2HB   GLN  37          1HB       GLN  37  -0.162  -5.321   2.706
  280   1HG   GLN  37          2HG       GLN  37  -0.807  -7.616   2.911
  281   2HG   GLN  37          1HG       GLN  37   0.701  -8.005   3.734
  282   1HE2  GLN  37          1HE2      GLN  37  -0.872  -8.895   5.305
  283   2HE2  GLN  37          2HE2      GLN  37  -1.478  -7.837   6.529
  284    H    LYS  38           H        LYS  38   0.043  -7.539  -0.014
  285    HA   LYS  38           HA       LYS  38  -0.150  -5.179  -1.750
  286   1HB   LYS  38          2HB       LYS  38  -1.246  -7.518  -2.990
  287   2HB   LYS  38          1HB       LYS  38   0.145  -6.563  -3.473
  288   1HG   LYS  38          2HG       LYS  38   1.379  -7.939  -1.635
  289   2HG   LYS  38          1HG       LYS  38   0.033  -9.058  -1.846
  290   1HD   LYS  38          2HD       LYS  38   1.071  -8.202  -4.400
  291   2HD   LYS  38          1HD       LYS  38   2.353  -8.884  -3.397
  292   1HE   LYS  38          2HE       LYS  38   0.938 -10.874  -3.010
  293   2HE   LYS  38          1HE       LYS  38  -0.269 -10.197  -4.101
  294   1HZ   LYS  38          1HZ       LYS  38   2.510 -10.966  -4.811
  295   2HZ   LYS  38          2HZ       LYS  38   1.416 -10.227  -5.867
  296   3HZ   LYS  38          3HZ       LYS  38   1.096 -11.775  -5.266
  297    H    CYS  39           H        CYS  39  -2.078  -4.354  -2.420
  298    HA   CYS  39           HA       CYS  39  -4.404  -5.127  -0.841
  299   1HB   CYS  39          2HB       CYS  39  -3.774  -2.754  -0.910
  300   2HB   CYS  39          1HB       CYS  39  -3.979  -2.746  -2.658
  301    H    CYS  40           H        CYS  40  -5.393  -6.814  -1.736
  302    HA   CYS  40           HA       CYS  40  -5.948  -6.773  -4.612
  303   1HB   CYS  40          2HB       CYS  40  -6.700  -9.266  -3.767
  304   2HB   CYS  40          1HB       CYS  40  -5.138  -8.865  -4.462
  305    H    GLU  41           H        GLU  41  -8.070  -7.781  -5.241
  306    HA   GLU  41           HA       GLU  41 -10.190  -6.300  -4.173
  307   1HB   GLU  41          2HB       GLU  41 -10.196  -7.197  -6.454
  308   2HB   GLU  41          1HB       GLU  41 -10.291  -8.834  -5.821
  309   1HG   GLU  41          2HG       GLU  41 -12.461  -8.093  -4.707
  310   2HG   GLU  41          1HG       GLU  41 -12.377  -6.683  -5.764
  311    H    TYR  42           H        TYR  42 -10.039  -9.860  -4.142
  312    HA   TYR  42           HA       TYR  42 -11.316  -9.789  -1.488
  313   1HB   TYR  42          2HB       TYR  42 -11.982 -11.227  -3.910
  314   2HB   TYR  42          1HB       TYR  42 -11.706 -12.344  -2.578
  315    HD1  TYR  42           1HD      TYR  42 -12.746 -10.965  -0.262
  316    HD2  TYR  42           2HD      TYR  42 -14.263 -11.048  -4.236
  317    HE1  TYR  42           1HE      TYR  42 -15.003 -10.500   0.596
  318    HE2  TYR  42           2HE      TYR  42 -16.523 -10.584  -3.390
  319    HH   TYR  42           HH       TYR  42 -17.703 -11.045  -0.940