*HEADER    TOXIN                                   12-OCT-99   1D6B              
*TITLE     SOLUTION STRUCTURE OF DEFENSIN-LIKE PEPTIDE-2 (DLP-2) FROM            
*TITLE    2 PLATYPUS VENOM                                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DEFENSIN-LIKE PEPTIDE-2;                                   
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ORNITHORHYNCHUS ANATINUS;                       
*SOURCE   3 ORGANISM_COMMON: DUCKBILLED PLATYPUS;                                
*SOURCE   4 ORGAN: SPUR;                                                         
*SOURCE   5 TISSUE: VENOM GLAND;                                                 
*SOURCE   6 SECRETION: VENOM                                                     
*KEYWDS    HELIX, ANTIPARALLEL BETA-SHEET                                        
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.M.TORRES, G.M.DE PLATER, M.DOVERSKOG, L.C BIRINYI-                  
*AUTHOR   2 STRACHAN, G.M.NICHOLSON, C.H.GALLAGHER, P.W.KUCHEL                   
*REVDAT   1   21-JUN-00 1D6B    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          1H        ILE   1   2.714   8.252 -12.784
    2   2H    ILE   1          2H        ILE   1   4.388   8.250 -13.159
    3   3H    ILE   1          3H        ILE   1   3.862   8.652 -11.576
    4    HA   ILE   1           HA       ILE   1   2.892   6.136 -12.427
    5    HB   ILE   1           HB       ILE   1   5.295   5.160 -11.977
    6   1HG1  ILE   1          2HG1      ILE   1   5.918   7.800 -13.322
    7   2HG1  ILE   1          1HG1      ILE   1   6.340   7.382 -11.664
    8   1HG2  ILE   1          1HG2      ILE   1   5.545   4.780 -14.302
    9   2HG2  ILE   1          2HG2      ILE   1   4.664   6.254 -14.706
   10   3HG2  ILE   1          3HG2      ILE   1   3.812   4.885 -13.991
   11   1HD1  ILE   1          1HD1      ILE   1   8.216   7.171 -13.253
   12   2HD1  ILE   1          2HD1      ILE   1   7.319   5.906 -14.095
   13   3HD1  ILE   1          3HD1      ILE   1   7.830   5.662 -12.425
   14    H    MET   2           H        MET   2   3.438   8.450 -10.281
   15    HA   MET   2           HA       MET   2   3.227   8.555  -8.013
   16   1HB   MET   2          2HB       MET   2   3.091   5.547  -7.926
   17   2HB   MET   2          1HB       MET   2   2.402   6.702  -6.795
   18   1HG   MET   2          2HG       MET   2   1.297   7.229  -9.346
   19   2HG   MET   2          1HG       MET   2   1.202   5.492  -9.060
   20   1HE   MET   2          1HE       MET   2  -0.108   4.336  -7.488
   21   2HE   MET   2          2HE       MET   2  -1.254   4.991  -6.318
   22   3HE   MET   2          3HE       MET   2   0.474   5.010  -5.966
   23    H    PHE   3           H        PHE   3   4.219   6.952  -5.988
   24    HA   PHE   3           HA       PHE   3   7.079   6.692  -6.631
   25   1HB   PHE   3          2HB       PHE   3   5.936   7.958  -4.132
   26   2HB   PHE   3          1HB       PHE   3   7.645   7.710  -4.470
   27    HD1  PHE   3          1HD       PHE   3   5.839  10.289  -3.954
   28    HD2  PHE   3          2HD       PHE   3   7.653   8.503  -7.365
   29    HE1  PHE   3          1HE       PHE   3   5.933  12.488  -5.052
   30    HE2  PHE   3          2HE       PHE   3   7.751  10.700  -8.469
   31    HZ   PHE   3           HZ       PHE   3   6.890  12.697  -7.312
   32    H    PHE   4           H        PHE   4   4.283   5.484  -5.072
   33    HA   PHE   4           HA       PHE   4   4.899   2.920  -4.782
   34   1HB   PHE   4          2HB       PHE   4   6.486   4.479  -2.844
   35   2HB   PHE   4          1HB       PHE   4   5.660   3.077  -2.172
   36    HD1  PHE   4          1HD       PHE   4   6.132   2.204  -5.439
   37    HD2  PHE   4          2HD       PHE   4   8.378   2.857  -1.884
   38    HE1  PHE   4          1HE       PHE   4   7.912   0.741  -6.302
   39    HE2  PHE   4          2HE       PHE   4  10.163   1.396  -2.739
   40    HZ   PHE   4           HZ       PHE   4   9.932   0.336  -4.950
   41    H    GLU   5           H        GLU   5   4.511   3.536  -1.572
   42    HA   GLU   5           HA       GLU   5   2.529   2.770  -0.470
   43   1HB   GLU   5          2HB       GLU   5   1.532   5.496  -0.840
   44   2HB   GLU   5          1HB       GLU   5   2.036   4.671   0.628
   45   1HG   GLU   5          2HG       GLU   5   4.294   5.245   0.296
   46   2HG   GLU   5          1HG       GLU   5   4.002   5.740  -1.370
   47    H    MET   6           H        MET   6   1.469   1.385  -1.970
   48    HA   MET   6           HA       MET   6  -0.053   1.988  -4.141
   49   1HB   MET   6          2HB       MET   6  -0.267  -0.085  -2.017
   50   2HB   MET   6          1HB       MET   6  -1.636   0.102  -3.105
   51   1HG   MET   6          2HG       MET   6  -0.408  -0.530  -4.966
   52   2HG   MET   6          1HG       MET   6   1.136  -0.190  -4.184
   53   1HE   MET   6          1HE       MET   6  -1.210  -3.859  -4.594
   54   2HE   MET   6          2HE       MET   6   0.248  -3.609  -5.554
   55   3HE   MET   6          3HE       MET   6  -1.022  -2.387  -5.546
   56    H    GLN   7           H        GLN   7  -2.323   0.928  -1.871
   57    HA   GLN   7           HA       GLN   7  -3.424   3.570  -1.349
   58   1HB   GLN   7          2HB       GLN   7  -4.481   1.725  -3.365
   59   2HB   GLN   7          1HB       GLN   7  -5.684   2.236  -2.190
   60   1HG   GLN   7          2HG       GLN   7  -4.124   4.480  -3.099
   61   2HG   GLN   7          1HG       GLN   7  -4.840   3.611  -4.456
   62   1HE2  GLN   7          1HE2      GLN   7  -7.150   3.246  -4.397
   63   2HE2  GLN   7          2HE2      GLN   7  -8.172   4.395  -3.607
   64    H    ALA   8           H        ALA   8  -3.762   3.517   0.777
   65    HA   ALA   8           HA       ALA   8  -3.723   1.696   2.630
   66   1HB   ALA   8          1HB       ALA   8  -5.553   3.975   2.290
   67   2HB   ALA   8          2HB       ALA   8  -4.460   3.582   3.616
   68   3HB   ALA   8          3HB       ALA   8  -6.031   2.788   3.502
   69    H    CYS   9           H        CYS   9  -4.327  -0.352   2.745
   70    HA   CYS   9           HA       CYS   9  -6.017  -1.742   1.157
   71   1HB   CYS   9          2HB       CYS   9  -4.512  -2.474   3.203
   72   2HB   CYS   9          1HB       CYS   9  -6.047  -2.443   4.062
   73    H    TRP  10           H        TRP  10  -6.923   0.420   3.719
   74    HA   TRP  10           HA       TRP  10  -9.622  -0.510   3.964
   75   1HB   TRP  10          2HB       TRP  10  -9.511   2.138   4.867
   76   2HB   TRP  10          1HB       TRP  10  -9.383   0.687   5.845
   77    HD1  TRP  10           HD1      TRP  10  -6.682  -0.278   6.016
   78    HE1  TRP  10          1HE       TRP  10  -4.572   1.143   6.410
   79    HE3  TRP  10          3HE       TRP  10  -8.508   4.238   4.584
   80    HZ2  TRP  10          2HZ       TRP  10  -3.789   3.854   6.138
   81    HZ3  TRP  10          3HZ       TRP  10  -7.031   6.214   4.671
   82    HH2  TRP  10           HH2      TRP  10  -4.717   6.019   5.433
   83    H    SER  11           H        SER  11  -8.055   2.243   2.376
   84    HA   SER  11           HA       SER  11 -10.119   3.703   1.442
   85   1HB   SER  11          2HB       SER  11  -7.490   3.701   0.912
   86   2HB   SER  11          1HB       SER  11  -8.079   3.042  -0.614
   87    HG   SER  11           HG       SER  11  -9.409   4.872  -0.821
   88    H    HIS  12           H        HIS  12  -9.290   0.478   0.396
   89    HA   HIS  12           HA       HIS  12 -11.414   0.619  -1.637
   90   1HB   HIS  12          2HB       HIS  12  -8.951  -1.095  -1.422
   91   2HB   HIS  12          1HB       HIS  12 -10.297  -1.552  -2.462
   92    HD1  HIS  12          1HD       HIS  12 -10.989   1.235  -3.608
   93    HD2  HIS  12          2HD       HIS  12  -7.136  -0.289  -3.295
   94    HE1  HIS  12          1HE       HIS  12  -9.632   2.478  -5.321
   95    HE2  HIS  12          2HE       HIS  12  -7.316   1.500  -5.153
   96    H    SER  13           H        SER  13 -10.647  -0.644   1.406
   97    HA   SER  13           HA       SER  13 -11.986  -1.837   2.844
   98   1HB   SER  13          2HB       SER  13 -13.843  -2.990   0.900
   99   2HB   SER  13          1HB       SER  13 -14.175  -2.038   2.348
  100    HG   SER  13           HG       SER  13 -13.847  -0.170   1.171
  101    H    GLY  14           H        GLY  14  -9.928  -3.083   2.699
  102   1HA   GLY  14          2HA       GLY  14 -10.491  -5.794   1.677
  103   2HA   GLY  14          1HA       GLY  14  -8.916  -5.048   1.460
  104    H    VAL  15           H        VAL  15  -7.912  -6.750   2.599
  105    HA   VAL  15           HA       VAL  15  -8.113  -6.447   5.504
  106    HB   VAL  15           HB       VAL  15  -8.251  -9.075   4.031
  107   1HG1  VAL  15          1HG1      VAL  15  -8.340  -9.841   6.585
  108   2HG1  VAL  15          2HG1      VAL  15  -7.285  -8.438   6.757
  109   3HG1  VAL  15          3HG1      VAL  15  -6.835  -9.752   5.670
  110   1HG2  VAL  15          1HG2      VAL  15 -10.066  -7.645   5.958
  111   2HG2  VAL  15          2HG2      VAL  15 -10.234  -9.360   5.581
  112   3HG2  VAL  15          3HG2      VAL  15 -10.412  -8.155   4.306
  113    H    CYS  16           H        CYS  16  -6.264  -7.688   6.594
  114    HA   CYS  16           HA       CYS  16  -3.847  -7.623   4.922
  115   1HB   CYS  16          2HB       CYS  16  -4.392  -5.649   6.693
  116   2HB   CYS  16          1HB       CYS  16  -3.519  -6.767   7.731
  117    H    ARG  17           H        ARG  17  -3.110  -9.619   4.873
  118    HA   ARG  17           HA       ARG  17  -3.261 -11.256   7.316
  119   1HB   ARG  17          2HB       ARG  17  -2.579 -12.904   5.143
  120   2HB   ARG  17          1HB       ARG  17  -4.118 -12.835   5.993
  121   1HG   ARG  17          2HG       ARG  17  -3.985 -10.677   4.130
  122   2HG   ARG  17          1HG       ARG  17  -3.578 -12.185   3.309
  123   1HD   ARG  17          2HD       ARG  17  -6.060 -11.452   3.466
  124   2HD   ARG  17          1HD       ARG  17  -5.637 -13.139   3.760
  125    HE   ARG  17           HE       ARG  17  -5.883 -11.320   6.042
  126   1HH1  ARG  17          2HH1      ARG  17  -7.077 -14.025   4.204
  127   2HH1  ARG  17          1HH1      ARG  17  -8.144 -14.571   5.453
  128   1HH2  ARG  17          1HH2      ARG  17  -7.285 -12.029   7.696
  129   2HH2  ARG  17          2HH2      ARG  17  -8.264 -13.435   7.439
  130    H    ASP  18           H        ASP  18  -1.447 -12.338   8.058
  131    HA   ASP  18           HA       ASP  18   0.964 -11.201   8.118
  132   1HB   ASP  18          2HB       ASP  18   0.062 -13.996   8.391
  133   2HB   ASP  18          1HB       ASP  18   1.785 -13.796   8.088
  134    H    LYS  19           H        LYS  19   2.684 -10.867   6.855
  135    HA   LYS  19           HA       LYS  19   2.604 -10.950   4.121
  136   1HB   LYS  19          2HB       LYS  19   4.987 -10.600   4.123
  137   2HB   LYS  19          1HB       LYS  19   4.295  -9.737   5.490
  138   1HG   LYS  19          2HG       LYS  19   4.896 -12.047   6.698
  139   2HG   LYS  19          1HG       LYS  19   6.128 -12.047   5.434
  140   1HD   LYS  19          2HD       LYS  19   5.923  -9.441   6.638
  141   2HD   LYS  19          1HD       LYS  19   6.183 -10.671   7.876
  142   1HE   LYS  19          2HE       LYS  19   8.326 -10.822   7.315
  143   2HE   LYS  19          1HE       LYS  19   7.884 -11.223   5.655
  144   1HZ   LYS  19          1HZ       LYS  19   9.309  -9.214   5.905
  145   2HZ   LYS  19          2HZ       LYS  19   8.020  -8.445   6.684
  146   3HZ   LYS  19          3HZ       LYS  19   7.861  -8.937   5.074
  147    H    SER  20           H        SER  20   3.681 -13.479   6.319
  148    HA   SER  20           HA       SER  20   4.399 -15.224   4.099
  149   1HB   SER  20          2HB       SER  20   5.259 -14.974   6.774
  150   2HB   SER  20          1HB       SER  20   4.438 -16.532   6.668
  151    HG   SER  20           HG       SER  20   6.739 -16.516   6.121
  152    H    GLU  21           H        GLU  21   1.609 -14.315   4.776
  153    HA   GLU  21           HA       GLU  21   0.163 -16.531   5.772
  154   1HB   GLU  21          2HB       GLU  21  -1.084 -14.625   5.958
  155   2HB   GLU  21          1HB       GLU  21  -0.515 -13.967   4.430
  156   1HG   GLU  21          2HG       GLU  21  -2.412 -14.590   3.493
  157   2HG   GLU  21          1HG       GLU  21  -1.993 -16.273   3.808
  158    H    ARG  22           H        ARG  22  -0.112 -18.395   4.830
  159    HA   ARG  22           HA       ARG  22   0.420 -18.828   2.052
  160   1HB   ARG  22          2HB       ARG  22  -0.050 -20.435   4.430
  161   2HB   ARG  22          1HB       ARG  22  -0.872 -21.092   3.024
  162   1HG   ARG  22          2HG       ARG  22   1.783 -20.340   2.292
  163   2HG   ARG  22          1HG       ARG  22   1.833 -21.357   3.734
  164   1HD   ARG  22          2HD       ARG  22   1.507 -22.170   1.067
  165   2HD   ARG  22          1HD       ARG  22   1.408 -23.166   2.519
  166    HE   ARG  22           HE       ARG  22  -0.900 -23.122   2.373
  167   1HH1  ARG  22          2HH1      ARG  22   0.511 -20.960   0.036
  168   2HH1  ARG  22          1HH1      ARG  22  -0.967 -20.729  -0.836
  169   1HH2  ARG  22          1HH2      ARG  22  -2.853 -22.824   1.234
  170   2HH2  ARG  22          2HH2      ARG  22  -2.880 -21.788  -0.155
  171    H    ASN  23           H        ASN  23  -2.146 -17.493   3.574
  172    HA   ASN  23           HA       ASN  23  -3.974 -18.286   1.412
  173   1HB   ASN  23          2HB       ASN  23  -4.378 -19.314   3.820
  174   2HB   ASN  23          1HB       ASN  23  -5.107 -17.739   4.122
  175   1HD2  ASN  23          1HD2      ASN  23  -7.198 -18.304   4.237
  176   2HD2  ASN  23          2HD2      ASN  23  -8.092 -19.015   2.941
  177    H    CYS  24           H        CYS  24  -2.783 -16.149   0.808
  178    HA   CYS  24           HA       CYS  24  -4.543 -13.941   1.631
  179   1HB   CYS  24          2HB       CYS  24  -2.316 -13.715   2.702
  180   2HB   CYS  24          1HB       CYS  24  -1.574 -13.704   1.106
  181    H    LYS  25           H        LYS  25  -5.685 -13.303  -0.061
  182    HA   LYS  25           HA       LYS  25  -4.775 -13.822  -2.759
  183   1HB   LYS  25          2HB       LYS  25  -7.289 -12.498  -1.725
  184   2HB   LYS  25          1HB       LYS  25  -6.973 -12.869  -3.414
  185   1HG   LYS  25          2HG       LYS  25  -7.960 -14.820  -3.067
  186   2HG   LYS  25          1HG       LYS  25  -6.562 -15.274  -2.091
  187   1HD   LYS  25          2HD       LYS  25  -8.181 -13.690  -0.434
  188   2HD   LYS  25          1HD       LYS  25  -9.276 -14.789  -1.276
  189   1HE   LYS  25          2HE       LYS  25  -8.613 -15.909   0.696
  190   2HE   LYS  25          1HE       LYS  25  -7.708 -16.657  -0.620
  191   1HZ   LYS  25          1HZ       LYS  25  -6.324 -14.444   0.562
  192   2HZ   LYS  25          2HZ       LYS  25  -5.787 -16.021   0.274
  193   3HZ   LYS  25          3HZ       LYS  25  -6.653 -15.668   1.682
  194    HA   PRO  26           HA       PRO  26  -2.415  -9.939  -2.643
  195   1HB   PRO  26          2HB       PRO  26  -2.470 -10.747  -5.527
  196   2HB   PRO  26          1HB       PRO  26  -1.129 -10.113  -4.566
  197   1HG   PRO  26          2HG       PRO  26  -1.320 -12.723  -5.092
  198   2HG   PRO  26          1HG       PRO  26  -0.739 -12.142  -3.521
  199   1HD   PRO  26          2HD       PRO  26  -3.321 -13.409  -4.225
  200   2HD   PRO  26          1HD       PRO  26  -2.464 -13.377  -2.672
  201    H    MET  27           H        MET  27  -3.671  -8.195  -2.394
  202    HA   MET  27           HA       MET  27  -5.700  -7.589  -4.431
  203   1HB   MET  27          2HB       MET  27  -5.968  -7.625  -1.731
  204   2HB   MET  27          1HB       MET  27  -5.561  -5.934  -1.987
  205   1HG   MET  27          2HG       MET  27  -8.064  -7.071  -2.172
  206   2HG   MET  27          1HG       MET  27  -7.589  -5.473  -2.744
  207   1HE   MET  27          1HE       MET  27  -9.725  -5.858  -3.821
  208   2HE   MET  27          2HE       MET  27 -10.126  -7.193  -4.903
  209   3HE   MET  27          3HE       MET  27  -9.465  -5.695  -5.558
  210    H    ALA  28           H        ALA  28  -4.259  -6.746  -5.982
  211    HA   ALA  28           HA       ALA  28  -2.237  -4.947  -5.691
  212   1HB   ALA  28          1HB       ALA  28  -2.268  -4.845  -7.927
  213   2HB   ALA  28          2HB       ALA  28  -3.953  -4.321  -7.974
  214   3HB   ALA  28          3HB       ALA  28  -3.566  -6.034  -7.814
  215    H    TRP  29           H        TRP  29  -2.393  -2.618  -6.625
  216    HA   TRP  29           HA       TRP  29  -2.778  -0.472  -5.924
  217   1HB   TRP  29          2HB       TRP  29  -5.686  -0.972  -6.332
  218   2HB   TRP  29          1HB       TRP  29  -4.674   0.342  -6.924
  219    HD1  TRP  29           HD1      TRP  29  -6.534  -2.400  -8.269
  220    HE1  TRP  29          1HE       TRP  29  -5.598  -3.202 -10.528
  221    HE3  TRP  29          3HE       TRP  29  -1.945  -0.160  -8.083
  222    HZ2  TRP  29          2HZ       TRP  29  -3.225  -2.924 -12.033
  223    HZ3  TRP  29          3HZ       TRP  29  -0.399  -0.478  -9.972
  224    HH2  TRP  29           HH2      TRP  29  -1.026  -1.832 -11.904
  225    H    THR  30           H        THR  30  -2.233  -1.090  -3.674
  226    HA   THR  30           HA       THR  30  -3.651   0.163  -1.776
  227    HB   THR  30           HB       THR  30  -5.639  -0.971  -1.840
  228    HG1  THR  30          1HG       THR  30  -4.213  -1.536   0.182
  229   1HG2  THR  30          1HG2      THR  30  -4.721  -3.741  -2.017
  230   2HG2  THR  30          2HG2      THR  30  -4.401  -2.763  -3.449
  231   3HG2  THR  30          3HG2      THR  30  -6.049  -2.923  -2.841
  232    H    TYR  31           H        TYR  31  -2.577   0.142   0.123
  233    HA   TYR  31           HA       TYR  31  -0.680  -2.063   0.592
  234   1HB   TYR  31          2HB       TYR  31   1.029  -0.571   1.218
  235   2HB   TYR  31          1HB       TYR  31   0.334   0.149  -0.230
  236    HD1  TYR  31          1HD       TYR  31  -2.016   1.533   0.720
  237    HD2  TYR  31          2HD       TYR  31   1.793   1.137   2.573
  238    HE1  TYR  31          1HE       TYR  31  -2.401   3.629   1.945
  239    HE2  TYR  31          2HE       TYR  31   1.419   3.233   3.805
  240    HH   TYR  31           HH       TYR  31   0.059   5.279   3.587
  241    H    CYS  32           H        CYS  32   0.175  -1.880   2.968
  242    HA   CYS  32           HA       CYS  32  -2.161  -1.407   4.702
  243   1HB   CYS  32          2HB       CYS  32  -0.389  -3.710   4.407
  244   2HB   CYS  32          1HB       CYS  32  -0.544  -3.178   6.078
  245    H    GLU  33           H        GLU  33  -1.357  -1.328   7.116
  246    HA   GLU  33           HA       GLU  33   0.540   0.881   7.225
  247   1HB   GLU  33          2HB       GLU  33  -0.533   0.120   9.793
  248   2HB   GLU  33          1HB       GLU  33  -0.720   1.630   8.912
  249   1HG   GLU  33          2HG       GLU  33  -2.719   1.023   8.009
  250   2HG   GLU  33          1HG       GLU  33  -2.336  -0.698   8.038
  251    H    ASN  34           H        ASN  34   0.360  -2.472   7.906
  252    HA   ASN  34           HA       ASN  34   2.686  -2.412   9.667
  253   1HB   ASN  34          2HB       ASN  34   0.491  -3.972   9.758
  254   2HB   ASN  34          1HB       ASN  34   1.539  -5.002   8.787
  255   1HD2  ASN  34          1HD2      ASN  34   0.489  -4.788  11.726
  256   2HD2  ASN  34          2HD2      ASN  34   1.889  -5.212  12.646
  257    H    ARG  35           H        ARG  35   4.648  -2.480   8.828
  258    HA   ARG  35           HA       ARG  35   5.159  -3.009   6.096
  259   1HB   ARG  35          2HB       ARG  35   6.590  -1.981   8.319
  260   2HB   ARG  35          1HB       ARG  35   7.542  -3.301   7.653
  261   1HG   ARG  35          2HG       ARG  35   6.585  -1.711   5.499
  262   2HG   ARG  35          1HG       ARG  35   7.307  -0.647   6.710
  263   1HD   ARG  35          2HD       ARG  35   8.675  -3.133   5.714
  264   2HD   ARG  35          1HD       ARG  35   8.859  -1.569   4.921
  265    HE   ARG  35           HE       ARG  35   9.754  -2.226   7.644
  266   1HH1  ARG  35          2HH1      ARG  35   9.798  -0.164   4.838
  267   2HH1  ARG  35          1HH1      ARG  35  11.127   0.793   5.401
  268   1HH2  ARG  35          1HH2      ARG  35  11.507  -0.974   8.395
  269   2HH2  ARG  35          2HH2      ARG  35  12.100   0.333   7.423
  270    H    ASN  36           H        ASN  36   4.060  -5.172   8.072
  271    HA   ASN  36           HA       ASN  36   5.743  -7.323   6.996
  272   1HB   ASN  36          2HB       ASN  36   6.147  -6.813   9.467
  273   2HB   ASN  36          1HB       ASN  36   4.521  -7.426   9.749
  274   1HD2  ASN  36          1HD2      ASN  36   4.073  -9.611   9.245
  275   2HD2  ASN  36          2HD2      ASN  36   5.337 -10.785   9.218
  276    H    GLN  37           H        GLN  37   2.711  -5.959   7.321
  277    HA   GLN  37           HA       GLN  37   1.308  -8.508   6.941
  278   1HB   GLN  37          2HB       GLN  37   0.673  -6.366   8.518
  279   2HB   GLN  37          1HB       GLN  37  -0.293  -6.049   7.085
  280   1HG   GLN  37          2HG       GLN  37  -1.227  -8.342   7.279
  281   2HG   GLN  37          1HG       GLN  37  -0.350  -8.521   8.797
  282   1HE2  GLN  37          1HE2      GLN  37  -2.614  -8.927   9.512
  283   2HE2  GLN  37          2HE2      GLN  37  -3.544  -7.563  10.025
  284    H    LYS  38           H        LYS  38  -0.138  -8.798   5.204
  285    HA   LYS  38           HA       LYS  38   0.496  -7.152   2.857
  286   1HB   LYS  38          2HB       LYS  38  -0.870  -9.673   2.343
  287   2HB   LYS  38          1HB       LYS  38   0.620  -9.045   1.656
  288   1HG   LYS  38          2HG       LYS  38   1.863 -10.352   2.947
  289   2HG   LYS  38          1HG       LYS  38   0.982  -9.873   4.400
  290   1HD   LYS  38          2HD       LYS  38  -0.001 -11.866   4.443
  291   2HD   LYS  38          1HD       LYS  38  -0.733 -11.528   2.873
  292   1HE   LYS  38          2HE       LYS  38   1.894 -12.201   2.281
  293   2HE   LYS  38          1HE       LYS  38   1.436 -13.320   3.564
  294   1HZ   LYS  38          1HZ       LYS  38  -0.098 -14.330   2.265
  295   2HZ   LYS  38          2HZ       LYS  38   0.929 -13.800   1.030
  296   3HZ   LYS  38          3HZ       LYS  38  -0.475 -12.928   1.393
  297    H    CYS  39           H        CYS  39  -1.194  -6.645   1.364
  298    HA   CYS  39           HA       CYS  39  -3.828  -6.456   2.657
  299   1HB   CYS  39          2HB       CYS  39  -2.939  -4.293   2.083
  300   2HB   CYS  39          1HB       CYS  39  -2.592  -4.821   0.441
  301    H    CYS  40           H        CYS  40  -5.013  -8.143   2.082
  302    HA   CYS  40           HA       CYS  40  -5.041  -8.959  -0.740
  303   1HB   CYS  40          2HB       CYS  40  -5.186 -10.438   1.818
  304   2HB   CYS  40          1HB       CYS  40  -6.229 -11.017   0.529
  305    H    GLU  41           H        GLU  41  -7.264 -10.189  -1.162
  306    HA   GLU  41           HA       GLU  41  -9.245  -8.301  -1.415
  307   1HB   GLU  41          2HB       GLU  41  -8.967 -11.129  -1.847
  308   2HB   GLU  41          1HB       GLU  41 -10.552 -10.790  -1.173
  309   1HG   GLU  41          2HG       GLU  41  -9.521  -9.198  -3.480
  310   2HG   GLU  41          1HG       GLU  41 -10.230 -10.792  -3.734
  311    H    TYR  42           HN       TYR  42  -9.644 -11.095   0.753
  312    HA   TYR  42           HA       TYR  42 -10.629  -9.306   2.848
  313   1HB   TYR  42          2HB       TYR  42 -12.728  -9.848   2.124
  314   2HB   TYR  42          1HB       TYR  42 -12.205 -11.368   1.406
  315    HD1  TYR  42          1HD       TYR  42 -11.709 -10.227   4.907
  316    HD2  TYR  42          2HD       TYR  42 -13.748 -12.899   2.297
  317    HE1  TYR  42          1HE       TYR  42 -12.593 -11.444   6.852
  318    HE2  TYR  42          2HE       TYR  42 -14.638 -14.122   4.236
  319    HH   TYR  42           HH       TYR  42 -13.948 -14.472   6.669
  Start of MODEL    2
    1   1H    ILE   1          1H        ILE   1  12.553   0.505  -1.814
    2   2H    ILE   1          2H        ILE   1  10.873   0.832  -1.686
    3   3H    ILE   1          3H        ILE   1  12.003   2.123  -1.682
    4    HA   ILE   1           HA       ILE   1  12.186   2.167  -3.843
    5    HB   ILE   1           HB       ILE   1  11.950  -0.079  -5.174
    6   1HG1  ILE   1          2HG1      ILE   1  12.551  -2.055  -3.934
    7   2HG1  ILE   1          1HG1      ILE   1  12.764  -1.123  -2.456
    8   1HG2  ILE   1          1HG2      ILE   1  14.385  -0.555  -4.676
    9   2HG2  ILE   1          2HG2      ILE   1  14.290   0.726  -3.467
   10   3HG2  ILE   1          3HG2      ILE   1  13.998   1.095  -5.167
   11   1HD1  ILE   1          1HD1      ILE   1  10.389  -2.326  -3.552
   12   2HD1  ILE   1          2HD1      ILE   1  10.155  -0.604  -3.246
   13   3HD1  ILE   1          3HD1      ILE   1  10.682  -1.667  -1.941
   14    H    MET   2           H        MET   2  10.523  -0.304  -5.136
   15    HA   MET   2           HA       MET   2   8.337   1.157  -5.973
   16   1HB   MET   2          2HB       MET   2   9.193  -1.594  -6.089
   17   2HB   MET   2          1HB       MET   2   7.457  -1.514  -5.827
   18   1HG   MET   2          2HG       MET   2   7.966  -1.631  -8.187
   19   2HG   MET   2          1HG       MET   2   7.220  -0.085  -7.789
   20   1HE   MET   2          1HE       MET   2   9.035   2.488  -8.709
   21   2HE   MET   2          2HE       MET   2   7.608   1.496  -8.999
   22   3HE   MET   2          3HE       MET   2   8.874   1.597 -10.223
   23    H    PHE   3           H        PHE   3   7.721   2.278  -3.987
   24    HA   PHE   3           HA       PHE   3   5.672   0.761  -2.540
   25   1HB   PHE   3          2HB       PHE   3   8.015   1.232  -1.320
   26   2HB   PHE   3          1HB       PHE   3   7.203   2.753  -0.958
   27    HD1  PHE   3          1HD       PHE   3   4.639   2.358  -0.190
   28    HD2  PHE   3          2HD       PHE   3   7.852  -0.394   0.277
   29    HE1  PHE   3          1HE       PHE   3   3.440   1.280   1.671
   30    HE2  PHE   3          2HE       PHE   3   6.659  -1.477   2.138
   31    HZ   PHE   3           HZ       PHE   3   4.451  -0.640   2.836
   32    H    PHE   4           H        PHE   4   5.931   3.526  -0.910
   33    HA   PHE   4           HA       PHE   4   5.061   5.661  -1.088
   34   1HB   PHE   4          2HB       PHE   4   4.092   4.855  -3.839
   35   2HB   PHE   4          1HB       PHE   4   4.105   6.481  -3.166
   36    HD1  PHE   4          1HD       PHE   4   5.394   5.454  -5.765
   37    HD2  PHE   4          2HD       PHE   4   6.894   6.090  -1.833
   38    HE1  PHE   4          1HE       PHE   4   7.646   5.811  -6.687
   39    HE2  PHE   4          2HE       PHE   4   9.149   6.449  -2.748
   40    HZ   PHE   4           HZ       PHE   4   9.529   6.311  -5.178
   41    H    GLU   5           H        GLU   5   3.761   4.617   0.598
   42    HA   GLU   5           HA       GLU   5   1.712   3.314   1.048
   43   1HB   GLU   5          2HB       GLU   5   1.584   6.316   1.198
   44   2HB   GLU   5          1HB       GLU   5   0.264   5.316   1.783
   45   1HG   GLU   5          2HG       GLU   5   1.889   4.157   3.269
   46   2HG   GLU   5          1HG       GLU   5   3.102   5.334   2.769
   47    H    MET   6           H        MET   6   1.363   2.528  -1.241
   48    HA   MET   6           HA       MET   6   0.032   3.649  -3.273
   49   1HB   MET   6          2HB       MET   6   0.034   0.956  -2.101
   50   2HB   MET   6          1HB       MET   6  -1.385   1.311  -3.076
   51   1HG   MET   6          2HG       MET   6   0.551   2.219  -4.708
   52   2HG   MET   6          1HG       MET   6   1.419   0.929  -3.875
   53   1HE   MET   6          1HE       MET   6   1.877  -0.749  -5.367
   54   2HE   MET   6          2HE       MET   6   0.717  -1.862  -6.093
   55   3HE   MET   6          3HE       MET   6   0.867  -1.766  -4.339
   56    H    GLN   7           H        GLN   7  -2.182   1.644  -1.484
   57    HA   GLN   7           HA       GLN   7  -3.861   3.908  -0.754
   58   1HB   GLN   7          2HB       GLN   7  -4.370   2.163  -3.042
   59   2HB   GLN   7          1HB       GLN   7  -5.715   2.217  -1.911
   60   1HG   GLN   7          2HG       GLN   7  -4.475   4.474  -3.443
   61   2HG   GLN   7          1HG       GLN   7  -6.142   3.904  -3.476
   62   1HE2  GLN   7          1HE2      GLN   7  -6.526   6.236  -3.144
   63   2HE2  GLN   7          2HE2      GLN   7  -6.562   6.832  -1.522
   64    H    ALA   8           H        ALA   8  -3.962   3.449   1.371
   65    HA   ALA   8           HA       ALA   8  -3.717   1.383   2.912
   66   1HB   ALA   8          1HB       ALA   8  -5.987   2.050   4.071
   67   2HB   ALA   8          2HB       ALA   8  -5.909   3.393   2.931
   68   3HB   ALA   8          3HB       ALA   8  -4.598   3.136   4.082
   69    H    CYS   9           H        CYS   9  -4.343  -0.668   3.135
   70    HA   CYS   9           HA       CYS   9  -5.829  -2.031   1.242
   71   1HB   CYS   9          2HB       CYS   9  -4.256  -2.991   2.997
   72   2HB   CYS   9          1HB       CYS   9  -5.605  -2.895   4.125
   73    H    TRP  10           H        TRP  10  -6.873  -0.372   4.129
   74    HA   TRP  10           HA       TRP  10  -9.479  -1.474   4.278
   75   1HB   TRP  10          2HB       TRP  10  -9.589   1.103   5.357
   76   2HB   TRP  10          1HB       TRP  10  -9.296  -0.389   6.233
   77    HD1  TRP  10           HD1      TRP  10  -6.544  -1.088   6.381
   78    HE1  TRP  10          1HE       TRP  10  -4.552   0.500   6.776
   79    HE3  TRP  10          3HE       TRP  10  -8.760   3.278   5.054
   80    HZ2  TRP  10          2HZ       TRP  10  -4.005   3.272   6.544
   81    HZ3  TRP  10          3HZ       TRP  10  -7.457   5.371   5.156
   82    HH2  TRP  10           HH2      TRP  10  -5.123   5.362   5.890
   83    H    SER  11           H        SER  11  -8.186   1.487   2.818
   84    HA   SER  11           HA       SER  11 -10.592   2.608   1.968
   85   1HB   SER  11          2HB       SER  11  -8.408   3.785   1.954
   86   2HB   SER  11          1HB       SER  11  -7.908   2.793   0.585
   87    HG   SER  11           HG       SER  11 -10.096   3.715  -0.258
   88    H    HIS  12           H        HIS  12  -8.764  -0.043   0.674
   89    HA   HIS  12           HA       HIS  12 -10.442  -0.084  -1.736
   90   1HB   HIS  12          2HB       HIS  12  -7.692  -0.844  -1.167
   91   2HB   HIS  12          1HB       HIS  12  -8.578  -2.136  -1.970
   92    HD1  HIS  12          1HD       HIS  12 -10.048  -1.062  -4.158
   93    HD2  HIS  12          2HD       HIS  12  -6.520   0.779  -2.968
   94    HE1  HIS  12          1HE       HIS  12  -9.292   0.288  -6.141
   95    HE2  HIS  12          2HE       HIS  12  -7.114   1.331  -5.424
   96    H    SER  13           H        SER  13 -11.284  -0.914   0.999
   97    HA   SER  13           HA       SER  13 -12.273  -2.672   2.094
   98   1HB   SER  13          2HB       SER  13 -13.616  -2.075  -0.199
   99   2HB   SER  13          1HB       SER  13 -13.324  -3.798  -0.426
  100    HG   SER  13           HG       SER  13 -14.970  -2.505   1.361
  101    H    GLY  14           H        GLY  14  -9.974  -3.541   2.312
  102   1HA   GLY  14          2HA       GLY  14  -9.947  -6.275   1.213
  103   2HA   GLY  14          1HA       GLY  14  -8.495  -5.288   1.157
  104    H    VAL  15           H        VAL  15  -7.479  -6.997   2.387
  105    HA   VAL  15           HA       VAL  15  -7.914  -6.625   5.261
  106    HB   VAL  15           HB       VAL  15  -7.559  -9.351   4.010
  107   1HG1  VAL  15          1HG1      VAL  15  -8.281  -8.679   6.852
  108   2HG1  VAL  15          2HG1      VAL  15  -6.619  -8.931   6.319
  109   3HG1  VAL  15          3HG1      VAL  15  -7.796 -10.240   6.188
  110   1HG2  VAL  15          1HG2      VAL  15  -9.968  -9.432   5.250
  111   2HG2  VAL  15          2HG2      VAL  15  -9.745  -9.130   3.527
  112   3HG2  VAL  15          3HG2      VAL  15  -9.959  -7.777   4.640
  113    H    CYS  16           H        CYS  16  -6.087  -7.109   6.572
  114    HA   CYS  16           HA       CYS  16  -3.552  -7.254   5.074
  115   1HB   CYS  16          2HB       CYS  16  -4.304  -5.616   7.484
  116   2HB   CYS  16          1HB       CYS  16  -2.623  -6.008   7.139
  117    H    ARG  17           H        ARG  17  -2.931  -9.318   5.294
  118    HA   ARG  17           HA       ARG  17  -2.971 -10.490   7.996
  119   1HB   ARG  17          2HB       ARG  17  -2.483 -12.540   6.149
  120   2HB   ARG  17          1HB       ARG  17  -3.972 -12.239   7.036
  121   1HG   ARG  17          2HG       ARG  17  -3.947 -10.474   4.834
  122   2HG   ARG  17          1HG       ARG  17  -3.485 -12.068   4.237
  123   1HD   ARG  17          2HD       ARG  17  -6.065 -11.135   4.837
  124   2HD   ARG  17          1HD       ARG  17  -5.588 -12.766   4.369
  125    HE   ARG  17           HE       ARG  17  -5.138 -12.418   7.125
  126   1HH1  ARG  17          2HH1      ARG  17  -7.744 -12.717   4.836
  127   2HH1  ARG  17          1HH1      ARG  17  -8.843 -13.414   5.981
  128   1HH2  ARG  17          1HH2      ARG  17  -6.574 -13.335   8.640
  129   2HH2  ARG  17          2HH2      ARG  17  -8.177 -13.765   8.144
  130    H    ASP  18           H        ASP  18  -1.198 -12.209   8.264
  131    HA   ASP  18           HA       ASP  18   1.283 -10.988   8.255
  132   1HB   ASP  18          2HB       ASP  18   0.286 -13.739   8.709
  133   2HB   ASP  18          1HB       ASP  18   1.999 -13.592   8.330
  134    H    LYS  19           H        LYS  19   3.008 -10.979   6.922
  135    HA   LYS  19           HA       LYS  19   2.739 -11.040   4.203
  136   1HB   LYS  19          2HB       LYS  19   4.926 -10.892   6.072
  137   2HB   LYS  19          1HB       LYS  19   5.391 -11.862   4.683
  138   1HG   LYS  19          2HG       LYS  19   4.043  -9.255   4.211
  139   2HG   LYS  19          1HG       LYS  19   5.737  -9.264   4.705
  140   1HD   LYS  19          2HD       LYS  19   4.547 -10.647   2.302
  141   2HD   LYS  19          1HD       LYS  19   5.601  -9.230   2.293
  142   1HE   LYS  19          2HE       LYS  19   7.346 -10.597   2.155
  143   2HE   LYS  19          1HE       LYS  19   6.958 -11.185   3.771
  144   1HZ   LYS  19          1HZ       LYS  19   6.694 -12.504   1.257
  145   2HZ   LYS  19          2HZ       LYS  19   5.233 -12.514   2.111
  146   3HZ   LYS  19          3HZ       LYS  19   6.631 -13.150   2.821
  147    H    SER  20           H        SER  20   3.494 -13.720   6.342
  148    HA   SER  20           HA       SER  20   3.803 -15.540   4.078
  149   1HB   SER  20          2HB       SER  20   4.906 -15.421   6.671
  150   2HB   SER  20          1HB       SER  20   3.875 -16.851   6.640
  151    HG   SER  20           HG       SER  20   6.284 -16.504   5.535
  152    H    GLU  21           H        GLU  21   1.221 -14.262   4.958
  153    HA   GLU  21           HA       GLU  21  -0.412 -16.286   6.090
  154   1HB   GLU  21          2HB       GLU  21  -1.414 -14.267   6.397
  155   2HB   GLU  21          1HB       GLU  21  -0.836 -13.622   4.866
  156   1HG   GLU  21          2HG       GLU  21  -2.945 -13.828   4.202
  157   2HG   GLU  21          1HG       GLU  21  -2.576 -15.543   4.040
  158    H    ARG  22           H        ARG  22  -1.008 -18.085   5.159
  159    HA   ARG  22           HA       ARG  22  -0.726 -18.580   2.371
  160   1HB   ARG  22          2HB       ARG  22  -1.341 -20.088   4.771
  161   2HB   ARG  22          1HB       ARG  22  -2.362 -20.579   3.428
  162   1HG   ARG  22          2HG       ARG  22   0.409 -20.299   2.636
  163   2HG   ARG  22          1HG       ARG  22   0.201 -21.453   3.955
  164   1HD   ARG  22          2HD       ARG  22   0.021 -22.305   1.528
  165   2HD   ARG  22          1HD       ARG  22  -1.185 -22.830   2.702
  166    HE   ARG  22           HE       ARG  22  -2.775 -21.770   1.459
  167   1HH1  ARG  22          2HH1      ARG  22   0.341 -20.450   0.635
  168   2HH1  ARG  22          1HH1      ARG  22  -0.273 -19.458  -0.645
  169   1HH2  ARG  22          1HH2      ARG  22  -3.594 -20.469  -0.224
  170   2HH2  ARG  22          2HH2      ARG  22  -2.511 -19.469  -1.134
  171    H    ASN  23           H        ASN  23  -2.995 -16.852   4.003
  172    HA   ASN  23           HA       ASN  23  -5.020 -17.384   1.932
  173   1HB   ASN  23          2HB       ASN  23  -5.544 -18.238   4.330
  174   2HB   ASN  23          1HB       ASN  23  -5.801 -16.537   4.709
  175   1HD2  ASN  23          1HD2      ASN  23  -7.585 -18.968   4.470
  176   2HD2  ASN  23          2HD2      ASN  23  -8.883 -18.438   3.461
  177    H    CYS  24           H        CYS  24  -3.607 -15.554   1.047
  178    HA   CYS  24           HA       CYS  24  -4.919 -13.029   1.748
  179   1HB   CYS  24          2HB       CYS  24  -2.431 -13.441   2.641
  180   2HB   CYS  24          1HB       CYS  24  -2.040 -12.881   1.018
  181    H    LYS  25           H        LYS  25  -6.165 -13.098  -0.101
  182    HA   LYS  25           HA       LYS  25  -5.257 -13.728  -2.675
  183   1HB   LYS  25          2HB       LYS  25  -7.667 -12.741  -1.475
  184   2HB   LYS  25          1HB       LYS  25  -7.315 -11.796  -2.916
  185   1HG   LYS  25          2HG       LYS  25  -7.824 -13.481  -4.291
  186   2HG   LYS  25          1HG       LYS  25  -7.000 -14.676  -3.287
  187   1HD   LYS  25          2HD       LYS  25  -9.394 -13.656  -2.010
  188   2HD   LYS  25          1HD       LYS  25  -9.743 -14.369  -3.586
  189   1HE   LYS  25          2HE       LYS  25  -8.027 -16.197  -2.521
  190   2HE   LYS  25          1HE       LYS  25  -8.883 -15.636  -1.084
  191   1HZ   LYS  25          1HZ       LYS  25 -10.919 -15.994  -2.743
  192   2HZ   LYS  25          2HZ       LYS  25 -10.336 -17.214  -1.728
  193   3HZ   LYS  25          3HZ       LYS  25  -9.866 -17.169  -3.352
  194    HA   PRO  26           HA       PRO  26  -2.364 -10.364  -3.332
  195   1HB   PRO  26          2HB       PRO  26  -3.064 -11.196  -6.123
  196   2HB   PRO  26          1HB       PRO  26  -1.479 -10.852  -5.416
  197   1HG   PRO  26          2HG       PRO  26  -2.289 -13.365  -5.788
  198   2HG   PRO  26          1HG       PRO  26  -1.361 -12.906  -4.348
  199   1HD   PRO  26          2HD       PRO  26  -4.242 -13.569  -4.610
  200   2HD   PRO  26          1HD       PRO  26  -3.158 -13.765  -3.220
  201    H    MET  27           H        MET  27  -3.641  -8.614  -2.696
  202    HA   MET  27           HA       MET  27  -5.500  -7.538  -4.704
  203   1HB   MET  27          2HB       MET  27  -5.496  -7.619  -1.800
  204   2HB   MET  27          1HB       MET  27  -5.704  -5.979  -2.397
  205   1HG   MET  27          2HG       MET  27  -7.364  -8.305  -3.329
  206   2HG   MET  27          1HG       MET  27  -7.814  -7.259  -1.984
  207   1HE   MET  27          1HE       MET  27  -9.578  -7.479  -5.262
  208   2HE   MET  27          2HE       MET  27 -10.359  -6.126  -4.444
  209   3HE   MET  27          3HE       MET  27  -9.850  -7.541  -3.521
  210    H    ALA  28           H        ALA  28  -4.050  -6.541  -6.085
  211    HA   ALA  28           HA       ALA  28  -1.889  -4.929  -5.300
  212   1HB   ALA  28          1HB       ALA  28  -1.492  -4.907  -7.486
  213   2HB   ALA  28          2HB       ALA  28  -3.011  -4.072  -7.809
  214   3HB   ALA  28          3HB       ALA  28  -2.979  -5.831  -7.706
  215    H    TRP  29           H        TRP  29  -2.041  -2.537  -6.509
  216    HA   TRP  29           HA       TRP  29  -2.499  -0.393  -5.885
  217   1HB   TRP  29          2HB       TRP  29  -5.350  -1.217  -6.379
  218   2HB   TRP  29          1HB       TRP  29  -4.574   0.324  -6.727
  219    HD1  TRP  29           HD1      TRP  29  -5.833  -2.487  -8.543
  220    HE1  TRP  29          1HE       TRP  29  -4.661  -2.781 -10.816
  221    HE3  TRP  29          3HE       TRP  29  -1.757   0.486  -7.741
  222    HZ2  TRP  29          2HZ       TRP  29  -2.315  -1.873 -12.099
  223    HZ3  TRP  29          3HZ       TRP  29  -0.094   0.721  -9.541
  224    HH2  TRP  29           HH2      TRP  29  -0.369  -0.435 -11.675
  225    H    THR  30           H        THR  30  -1.927  -0.852  -3.626
  226    HA   THR  30           HA       THR  30  -3.478   0.384  -1.789
  227    HB   THR  30           HB       THR  30  -5.304  -0.990  -1.745
  228    HG1  THR  30          1HG       THR  30  -3.442  -1.780   0.121
  229   1HG2  THR  30          1HG2      THR  30  -3.888  -2.685  -3.304
  230   2HG2  THR  30          2HG2      THR  30  -5.485  -3.029  -2.636
  231   3HG2  THR  30          3HG2      THR  30  -4.040  -3.628  -1.822
  232    H    TYR  31           H        TYR  31  -2.779   0.122   0.424
  233    HA   TYR  31           HA       TYR  31  -0.343  -1.493   0.739
  234   1HB   TYR  31          2HB       TYR  31   0.869   0.287   1.697
  235   2HB   TYR  31          1HB       TYR  31   0.091   0.994   0.284
  236    HD1  TYR  31          1HD       TYR  31  -0.986   3.019   0.539
  237    HD2  TYR  31          2HD       TYR  31  -0.543   0.497   3.935
  238    HE1  TYR  31          1HE       TYR  31  -1.988   4.760   1.956
  239    HE2  TYR  31          2HE       TYR  31  -1.543   2.231   5.361
  240    HH   TYR  31           HH       TYR  31  -3.343   4.483   4.533
  241    H    CYS  32           H        CYS  32   0.211  -1.945   2.987
  242    HA   CYS  32           HA       CYS  32  -2.206  -2.153   4.632
  243   1HB   CYS  32          2HB       CYS  32   0.219  -3.814   4.267
  244   2HB   CYS  32          1HB       CYS  32  -0.444  -3.749   5.893
  245    H    GLU  33           H        GLU  33  -1.653  -2.234   7.078
  246    HA   GLU  33           HA       GLU  33  -0.572   0.331   7.759
  247   1HB   GLU  33          2HB       GLU  33  -1.302  -0.125   9.983
  248   2HB   GLU  33          1HB       GLU  33  -2.530  -0.767   8.902
  249   1HG   GLU  33          2HG       GLU  33  -1.770  -3.000   9.244
  250   2HG   GLU  33          1HG       GLU  33  -0.353  -2.437  10.132
  251    H    ASN  34           H        ASN  34   0.436  -3.026   8.187
  252    HA   ASN  34           HA       ASN  34   2.946  -2.133   9.400
  253   1HB   ASN  34          2HB       ASN  34   1.357  -4.182  10.127
  254   2HB   ASN  34          1HB       ASN  34   2.420  -5.026   9.003
  255   1HD2  ASN  34          1HD2      ASN  34   2.034  -3.891  12.135
  256   2HD2  ASN  34          2HD2      ASN  34   3.652  -4.127  12.694
  257    H    ARG  35           H        ARG  35   4.713  -1.927   8.212
  258    HA   ARG  35           HA       ARG  35   4.809  -2.412   5.458
  259   1HB   ARG  35          2HB       ARG  35   6.483  -1.256   7.427
  260   2HB   ARG  35          1HB       ARG  35   7.451  -2.440   6.564
  261   1HG   ARG  35          2HG       ARG  35   6.354  -1.254   4.464
  262   2HG   ARG  35          1HG       ARG  35   6.244   0.088   5.606
  263   1HD   ARG  35          2HD       ARG  35   8.549  -0.970   4.212
  264   2HD   ARG  35          1HD       ARG  35   8.356   0.557   5.072
  265    HE   ARG  35           HE       ARG  35   9.591  -1.836   6.054
  266   1HH1  ARG  35          2HH1      ARG  35   7.895   1.066   6.964
  267   2HH1  ARG  35          1HH1      ARG  35   8.566   1.113   8.561
  268   1HH2  ARG  35          1HH2      ARG  35  10.483  -1.783   8.154
  269   2HH2  ARG  35          2HH2      ARG  35  10.037  -0.506   9.237
  270    H    ASN  36           H        ASN  36   4.264  -4.755   7.377
  271    HA   ASN  36           HA       ASN  36   6.022  -6.644   5.981
  272   1HB   ASN  36          2HB       ASN  36   6.574  -6.067   8.507
  273   2HB   ASN  36          1HB       ASN  36   5.274  -7.214   8.811
  274   1HD2  ASN  36          1HD2      ASN  36   7.300  -7.496   6.015
  275   2HD2  ASN  36          2HD2      ASN  36   8.176  -8.892   6.535
  276    H    GLN  37           H        GLN  37   3.006  -5.640   6.323
  277    HA   GLN  37           HA       GLN  37   1.834  -8.337   6.338
  278   1HB   GLN  37          2HB       GLN  37   1.125  -6.136   7.834
  279   2HB   GLN  37          1HB       GLN  37  -0.033  -6.094   6.515
  280   1HG   GLN  37          2HG       GLN  37  -0.874  -8.228   7.051
  281   2HG   GLN  37          1HG       GLN  37   0.483  -8.571   8.123
  282   1HE2  GLN  37          1HE2      GLN  37  -0.167  -8.628  10.141
  283   2HE2  GLN  37          2HE2      GLN  37  -1.294  -7.549  10.883
  284    H    LYS  38           H        LYS  38   0.316  -8.905   4.757
  285    HA   LYS  38           HA       LYS  38   0.574  -7.389   2.262
  286   1HB   LYS  38          2HB       LYS  38  -0.743 -10.019   2.187
  287   2HB   LYS  38          1HB       LYS  38   0.521  -9.362   1.157
  288   1HG   LYS  38          2HG       LYS  38   2.065  -9.741   3.182
  289   2HG   LYS  38          1HG       LYS  38   0.775 -10.791   3.771
  290   1HD   LYS  38          2HD       LYS  38   1.863 -11.093   0.994
  291   2HD   LYS  38          1HD       LYS  38   2.683 -11.829   2.372
  292   1HE   LYS  38          2HE       LYS  38   0.830 -13.189   2.879
  293   2HE   LYS  38          1HE       LYS  38  -0.245 -12.250   1.844
  294   1HZ   LYS  38          1HZ       LYS  38   1.361 -14.486   1.181
  295   2HZ   LYS  38          2HZ       LYS  38   1.784 -13.167   0.212
  296   3HZ   LYS  38          3HZ       LYS  38   0.182 -13.706   0.251
  297    H    CYS  39           H        CYS  39  -1.306  -7.153   0.882
  298    HA   CYS  39           HA       CYS  39  -3.796  -6.935   2.440
  299   1HB   CYS  39          2HB       CYS  39  -2.989  -4.756   1.776
  300   2HB   CYS  39          1HB       CYS  39  -2.829  -5.283   0.104
  301    H    CYS  40           H        CYS  40  -4.973  -8.666   1.976
  302    HA   CYS  40           HA       CYS  40  -5.126  -9.640  -0.771
  303   1HB   CYS  40          2HB       CYS  40  -6.627 -11.312   0.879
  304   2HB   CYS  40          1HB       CYS  40  -4.998 -11.606   0.281
  305    H    GLU  41           H        GLU  41  -7.311 -10.394  -1.502
  306    HA   GLU  41           HA       GLU  41  -9.109  -8.387  -1.817
  307   1HB   GLU  41          2HB       GLU  41  -9.044 -11.139  -2.390
  308   2HB   GLU  41          1HB       GLU  41 -10.570 -10.861  -1.561
  309   1HG   GLU  41          2HG       GLU  41 -10.978  -8.982  -3.189
  310   2HG   GLU  41          1HG       GLU  41  -9.584  -9.580  -4.090
  311    H    TYR  42           HN       TYR  42  -9.969 -11.092   0.316
  312    HA   TYR  42           HA       TYR  42 -11.129  -9.141   2.187
  313   1HB   TYR  42          2HB       TYR  42 -13.121 -10.175   2.134
  314   2HB   TYR  42          1HB       TYR  42 -12.554 -10.902   0.638
  315    HD1  TYR  42          1HD       TYR  42 -11.073 -13.094   1.022
  316    HD2  TYR  42          2HD       TYR  42 -13.974 -11.591   3.746
  317    HE1  TYR  42          1HE       TYR  42 -11.290 -15.333   2.016
  318    HE2  TYR  42          2HE       TYR  42 -14.198 -13.826   4.750
  319    HH   TYR  42           HH       TYR  42 -13.793 -16.114   4.260
  Start of MODEL    3
    1   1H    ILE   1          1H        ILE   1  11.806  11.247  -0.366
    2   2H    ILE   1          2H        ILE   1  10.289  11.992  -0.065
    3   3H    ILE   1          3H        ILE   1  11.741  12.790   0.380
    4    HA   ILE   1           HA       ILE   1  10.809  13.735  -1.582
    5    HB   ILE   1           HB       ILE   1  12.823  13.162  -3.139
    6   1HG1  ILE   1          2HG1      ILE   1  13.705  11.889  -0.538
    7   2HG1  ILE   1          1HG1      ILE   1  13.356  11.020  -2.028
    8   1HG2  ILE   1          1HG2      ILE   1  13.806  14.964  -2.236
    9   2HG2  ILE   1          2HG2      ILE   1  13.901  14.232  -0.634
   10   3HG2  ILE   1          3HG2      ILE   1  12.402  14.991  -1.169
   11   1HD1  ILE   1          1HD1      ILE   1  15.367  13.184  -2.161
   12   2HD1  ILE   1          2HD1      ILE   1  15.307  11.634  -3.000
   13   3HD1  ILE   1          3HD1      ILE   1  15.812  11.706  -1.312
   14    H    MET   2           H        MET   2   9.186  11.483  -1.452
   15    HA   MET   2           HA       MET   2   8.747  10.986  -4.221
   16   1HB   MET   2          2HB       MET   2   9.989   8.842  -2.535
   17   2HB   MET   2          1HB       MET   2   8.876   8.406  -3.823
   18   1HG   MET   2          2HG       MET   2  10.576  10.165  -5.063
   19   2HG   MET   2          1HG       MET   2  11.641   9.294  -3.960
   20   1HE   MET   2          1HE       MET   2   8.925   7.082  -6.963
   21   2HE   MET   2          2HE       MET   2   8.825   8.820  -6.670
   22   3HE   MET   2          3HE       MET   2   8.377   7.684  -5.398
   23    H    PHE   3           H        PHE   3   6.745   9.939  -4.631
   24    HA   PHE   3           HA       PHE   3   4.950   9.979  -2.311
   25   1HB   PHE   3          2HB       PHE   3   4.666  10.670  -5.160
   26   2HB   PHE   3          1HB       PHE   3   3.304   9.785  -4.481
   27    HD1  PHE   3          1HD       PHE   3   2.281  10.700  -2.312
   28    HD2  PHE   3          2HD       PHE   3   4.852  12.956  -4.844
   29    HE1  PHE   3          1HE       PHE   3   1.421  12.782  -1.324
   30    HE2  PHE   3          2HE       PHE   3   3.998  15.041  -3.858
   31    HZ   PHE   3           HZ       PHE   3   2.280  14.957  -2.095
   32    H    PHE   4           H        PHE   4   6.083   7.792  -1.909
   33    HA   PHE   4           HA       PHE   4   5.005   5.618  -3.518
   34   1HB   PHE   4          2HB       PHE   4   7.409   5.806  -2.469
   35   2HB   PHE   4          1HB       PHE   4   6.610   5.183  -1.030
   36    HD1  PHE   4          1HD       PHE   4   7.622   3.064  -0.886
   37    HD2  PHE   4          2HD       PHE   4   5.789   4.304  -4.522
   38    HE1  PHE   4          1HE       PHE   4   7.830   0.776  -1.767
   39    HE2  PHE   4          2HE       PHE   4   5.993   2.017  -5.409
   40    HZ   PHE   4           HZ       PHE   4   7.013   0.250  -4.030
   41    H    GLU   5           H        GLU   5   2.811   5.643  -3.053
   42    HA   GLU   5           HA       GLU   5   2.092   4.408  -0.535
   43   1HB   GLU   5          2HB       GLU   5   1.846   7.193  -0.815
   44   2HB   GLU   5          1HB       GLU   5   0.218   6.553  -1.005
   45   1HG   GLU   5          2HG       GLU   5   1.650   7.002   1.372
   46   2HG   GLU   5          1HG       GLU   5   0.041   6.309   1.180
   47    H    MET   6           H        MET   6   1.337   2.632  -1.609
   48    HA   MET   6           HA       MET   6  -0.117   2.546  -3.961
   49   1HB   MET   6          2HB       MET   6   0.436   0.739  -1.748
   50   2HB   MET   6          1HB       MET   6  -1.158   0.465  -2.435
   51   1HG   MET   6          2HG       MET   6   0.003   0.404  -4.695
   52   2HG   MET   6          1HG       MET   6   1.511   0.298  -3.790
   53   1HE   MET   6          1HE       MET   6   1.549  -1.548  -5.561
   54   2HE   MET   6          2HE       MET   6   0.041  -2.413  -5.852
   55   3HE   MET   6          3HE       MET   6   1.369  -3.215  -5.015
   56    H    GLN   7           H        GLN   7  -2.346   0.940  -2.445
   57    HA   GLN   7           HA       GLN   7  -4.119   3.263  -2.058
   58   1HB   GLN   7          2HB       GLN   7  -4.367   1.016  -3.806
   59   2HB   GLN   7          1HB       GLN   7  -5.647   0.927  -2.604
   60   1HG   GLN   7          2HG       GLN   7  -5.130   3.503  -4.012
   61   2HG   GLN   7          1HG       GLN   7  -6.012   2.217  -4.835
   62   1HE2  GLN   7          1HE2      GLN   7  -6.962   4.824  -4.028
   63   2HE2  GLN   7          2HE2      GLN   7  -8.287   4.557  -2.952
   64    H    ALA   8           H        ALA   8  -4.250   3.508   0.100
   65    HA   ALA   8           HA       ALA   8  -3.841   1.933   2.180
   66   1HB   ALA   8          1HB       ALA   8  -6.412   3.117   2.669
   67   2HB   ALA   8          2HB       ALA   8  -5.378   4.235   1.778
   68   3HB   ALA   8          3HB       ALA   8  -4.833   3.562   3.314
   69    H    CYS   9           H        CYS   9  -4.178  -0.216   2.211
   70    HA   CYS   9           HA       CYS   9  -5.940  -1.843   1.093
   71   1HB   CYS   9          2HB       CYS   9  -4.210  -2.329   2.968
   72   2HB   CYS   9          1HB       CYS   9  -5.573  -2.136   4.062
   73    H    TRP  10           H        TRP  10  -6.756   0.544   3.468
   74    HA   TRP  10           HA       TRP  10  -9.373  -0.509   4.034
   75   1HB   TRP  10          2HB       TRP  10  -9.325   2.191   4.758
   76   2HB   TRP  10          1HB       TRP  10  -9.031   0.815   5.811
   77    HD1  TRP  10           HD1      TRP  10  -6.272  -0.008   5.770
   78    HE1  TRP  10          1HE       TRP  10  -4.218   1.544   5.897
   79    HE3  TRP  10          3HE       TRP  10  -8.476   4.320   4.292
   80    HZ2  TRP  10          2HZ       TRP  10  -3.622   4.273   5.423
   81    HZ3  TRP  10          3HZ       TRP  10  -7.114   6.373   4.145
   82    HH2  TRP  10           HH2      TRP  10  -4.733   6.345   4.701
   83    H    SER  11           H        SER  11  -8.076   2.209   2.156
   84    HA   SER  11           HA       SER  11 -10.375   3.408   1.293
   85   1HB   SER  11          2HB       SER  11  -7.642   3.385   0.494
   86   2HB   SER  11          1HB       SER  11  -8.631   3.262  -0.960
   87    HG   SER  11           HG       SER  11  -9.104   5.283  -0.720
   88    H    HIS  12           H        HIS  12  -9.240   0.259   0.491
   89    HA   HIS  12           HA       HIS  12 -11.305   0.032  -1.596
   90   1HB   HIS  12          2HB       HIS  12 -10.010  -1.698  -2.625
   91   2HB   HIS  12          1HB       HIS  12  -8.932  -0.341  -2.324
   92    HD1  HIS  12          1HD       HIS  12  -9.221  -3.906  -1.822
   93    HD2  HIS  12          2HD       HIS  12  -7.307  -0.766   0.112
   94    HE1  HIS  12          1HE       HIS  12  -7.466  -4.978  -0.375
   95    HE2  HIS  12          2HE       HIS  12  -6.379  -3.063   0.851
   96    H    SER  13           H        SER  13 -10.689  -0.712   1.554
   97    HA   SER  13           HA       SER  13 -11.641  -2.123   3.065
   98   1HB   SER  13          2HB       SER  13 -13.831  -1.790   2.570
   99   2HB   SER  13          1HB       SER  13 -13.579  -2.031   0.841
  100    HG   SER  13           HG       SER  13 -13.214  -4.321   2.265
  101    H    GLY  14           H        GLY  14  -9.639  -3.362   2.856
  102   1HA   GLY  14          2HA       GLY  14 -10.151  -6.022   1.673
  103   2HA   GLY  14          1HA       GLY  14  -8.575  -5.250   1.595
  104    H    VAL  15           H        VAL  15  -7.507  -6.887   2.690
  105    HA   VAL  15           HA       VAL  15  -7.974  -6.907   5.582
  106    HB   VAL  15           HB       VAL  15  -7.200  -9.515   4.442
  107   1HG1  VAL  15          1HG1      VAL  15  -7.916 -10.253   6.423
  108   2HG1  VAL  15          2HG1      VAL  15  -9.441  -9.375   6.298
  109   3HG1  VAL  15          3HG1      VAL  15  -7.996  -8.555   6.892
  110   1HG2  VAL  15          1HG2      VAL  15  -8.846  -9.515   2.913
  111   2HG2  VAL  15          2HG2      VAL  15  -9.684  -8.156   3.664
  112   3HG2  VAL  15          3HG2      VAL  15  -9.896  -9.786   4.302
  113    H    CYS  16           H        CYS  16  -6.145  -7.400   6.843
  114    HA   CYS  16           HA       CYS  16  -3.593  -7.360   5.369
  115   1HB   CYS  16          2HB       CYS  16  -4.421  -5.900   7.865
  116   2HB   CYS  16          1HB       CYS  16  -2.726  -6.224   7.526
  117    H    ARG  17           H        ARG  17  -2.850  -9.383   5.474
  118    HA   ARG  17           HA       ARG  17  -2.899 -10.745   8.087
  119   1HB   ARG  17          2HB       ARG  17  -2.303 -12.558   5.961
  120   2HB   ARG  17          1HB       ARG  17  -3.685 -12.556   7.046
  121   1HG   ARG  17          2HG       ARG  17  -3.757 -10.630   4.807
  122   2HG   ARG  17          1HG       ARG  17  -3.908 -12.341   4.399
  123   1HD   ARG  17          2HD       ARG  17  -5.776 -10.555   5.799
  124   2HD   ARG  17          1HD       ARG  17  -6.093 -11.974   4.803
  125    HE   ARG  17           HE       ARG  17  -6.104 -13.264   6.699
  126   1HH1  ARG  17          2HH1      ARG  17  -4.752 -10.140   7.433
  127   2HH1  ARG  17          1HH1      ARG  17  -4.722 -10.410   9.144
  128   1HH2  ARG  17          1HH2      ARG  17  -6.069 -13.632   8.952
  129   2HH2  ARG  17          2HH2      ARG  17  -5.470 -12.395  10.006
  130    H    ASP  18           H        ASP  18  -1.071 -12.615   7.924
  131    HA   ASP  18           HA       ASP  18   1.383 -11.225   8.109
  132   1HB   ASP  18          2HB       ASP  18   0.379 -13.793   8.820
  133   2HB   ASP  18          1HB       ASP  18   1.848 -14.032   7.876
  134    H    LYS  19           H        LYS  19   3.136 -11.190   6.788
  135    HA   LYS  19           HA       LYS  19   2.832 -11.119   4.060
  136   1HB   LYS  19          2HB       LYS  19   5.247 -11.110   3.891
  137   2HB   LYS  19          1HB       LYS  19   4.755 -10.170   5.292
  138   1HG   LYS  19          2HG       LYS  19   5.123 -12.694   6.328
  139   2HG   LYS  19          1HG       LYS  19   6.409 -12.550   5.128
  140   1HD   LYS  19          2HD       LYS  19   6.567 -10.129   6.323
  141   2HD   LYS  19          1HD       LYS  19   6.023 -11.124   7.676
  142   1HE   LYS  19          2HE       LYS  19   7.951 -12.709   6.651
  143   2HE   LYS  19          1HE       LYS  19   8.594 -11.121   6.232
  144   1HZ   LYS  19          1HZ       LYS  19   7.790 -10.836   8.815
  145   2HZ   LYS  19          2HZ       LYS  19   9.380 -11.096   8.299
  146   3HZ   LYS  19          3HZ       LYS  19   8.425 -12.403   8.789
  147    H    SER  20           H        SER  20   3.631 -13.871   6.086
  148    HA   SER  20           HA       SER  20   4.007 -15.582   3.750
  149   1HB   SER  20          2HB       SER  20   5.196 -15.558   6.234
  150   2HB   SER  20          1HB       SER  20   4.034 -16.876   6.379
  151    HG   SER  20           HG       SER  20   6.379 -16.910   5.167
  152    H    GLU  21           H        GLU  21   1.389 -14.372   4.789
  153    HA   GLU  21           HA       GLU  21  -0.230 -16.468   5.743
  154   1HB   GLU  21          2HB       GLU  21  -1.316 -14.512   6.099
  155   2HB   GLU  21          1HB       GLU  21  -0.677 -13.766   4.643
  156   1HG   GLU  21          2HG       GLU  21  -2.657 -14.039   3.706
  157   2HG   GLU  21          1HG       GLU  21  -2.387 -15.780   3.753
  158    H    ARG  22           H        ARG  22  -0.668 -18.271   4.730
  159    HA   ARG  22           HA       ARG  22  -0.403 -18.618   1.919
  160   1HB   ARG  22          2HB       ARG  22  -0.893 -20.267   4.248
  161   2HB   ARG  22          1HB       ARG  22  -1.924 -20.745   2.907
  162   1HG   ARG  22          2HG       ARG  22   0.782 -20.298   2.023
  163   2HG   ARG  22          1HG       ARG  22   0.720 -21.475   3.336
  164   1HD   ARG  22          2HD       ARG  22  -0.671 -22.918   2.137
  165   2HD   ARG  22          1HD       ARG  22  -1.162 -21.654   1.010
  166    HE   ARG  22           HE       ARG  22   1.513 -22.896   1.028
  167   1HH1  ARG  22          2HH1      ARG  22  -1.185 -21.441  -0.626
  168   2HH1  ARG  22          1HH1      ARG  22  -0.493 -21.637  -2.200
  169   1HH2  ARG  22          1HH2      ARG  22   2.434 -23.161  -1.043
  170   2HH2  ARG  22          2HH2      ARG  22   1.565 -22.615  -2.439
  171    H    ASN  23           H        ASN  23  -2.706 -17.070   3.649
  172    HA   ASN  23           HA       ASN  23  -4.754 -17.593   1.599
  173   1HB   ASN  23          2HB       ASN  23  -5.060 -18.457   4.139
  174   2HB   ASN  23          1HB       ASN  23  -5.709 -16.829   4.299
  175   1HD2  ASN  23          1HD2      ASN  23  -5.911 -19.670   2.192
  176   2HD2  ASN  23          2HD2      ASN  23  -7.606 -19.535   1.885
  177    H    CYS  24           H        CYS  24  -3.158 -15.608   1.042
  178    HA   CYS  24           HA       CYS  24  -4.641 -13.192   1.846
  179   1HB   CYS  24          2HB       CYS  24  -2.246 -13.441   2.763
  180   2HB   CYS  24          1HB       CYS  24  -1.723 -13.144   1.110
  181    H    LYS  25           H        LYS  25  -5.948 -13.084   0.059
  182    HA   LYS  25           HA       LYS  25  -5.148 -13.555  -2.590
  183   1HB   LYS  25          2HB       LYS  25  -7.446 -12.143  -1.303
  184   2HB   LYS  25          1HB       LYS  25  -7.190 -11.935  -3.030
  185   1HG   LYS  25          2HG       LYS  25  -7.709 -14.107  -3.512
  186   2HG   LYS  25          1HG       LYS  25  -7.205 -14.695  -1.927
  187   1HD   LYS  25          2HD       LYS  25  -9.215 -13.352  -1.033
  188   2HD   LYS  25          1HD       LYS  25  -9.761 -13.333  -2.711
  189   1HE   LYS  25          2HE       LYS  25 -10.493 -15.243  -1.039
  190   2HE   LYS  25          1HE       LYS  25 -10.189 -15.574  -2.744
  191   1HZ   LYS  25          1HZ       LYS  25  -9.042 -17.221  -1.567
  192   2HZ   LYS  25          2HZ       LYS  25  -8.428 -16.128  -0.432
  193   3HZ   LYS  25          3HZ       LYS  25  -7.843 -16.117  -2.018
  194    HA   PRO  26           HA       PRO  26  -2.309 -10.094  -3.026
  195   1HB   PRO  26          2HB       PRO  26  -2.812 -10.880  -5.864
  196   2HB   PRO  26          1HB       PRO  26  -1.284 -10.539  -5.045
  197   1HG   PRO  26          2HG       PRO  26  -2.024 -13.048  -5.546
  198   2HG   PRO  26          1HG       PRO  26  -1.208 -12.624  -4.031
  199   1HD   PRO  26          2HD       PRO  26  -4.068 -13.277  -4.524
  200   2HD   PRO  26          1HD       PRO  26  -3.073 -13.570  -3.084
  201    H    MET  27           H        MET  27  -3.580  -8.329  -2.491
  202    HA   MET  27           HA       MET  27  -5.505  -7.379  -4.487
  203   1HB   MET  27          2HB       MET  27  -5.337  -7.247  -1.602
  204   2HB   MET  27          1HB       MET  27  -5.538  -5.642  -2.291
  205   1HG   MET  27          2HG       MET  27  -7.404  -7.916  -2.199
  206   2HG   MET  27          1HG       MET  27  -7.716  -6.183  -2.120
  207   1HE   MET  27          1HE       MET  27  -9.743  -8.122  -4.630
  208   2HE   MET  27          2HE       MET  27  -8.710  -8.899  -3.428
  209   3HE   MET  27          3HE       MET  27  -8.374  -9.108  -5.147
  210    H    ALA  28           H        ALA  28  -3.969  -6.628  -6.006
  211    HA   ALA  28           HA       ALA  28  -1.805  -4.989  -5.557
  212   1HB   ALA  28          1HB       ALA  28  -3.598  -5.494  -7.855
  213   2HB   ALA  28          2HB       ALA  28  -1.846  -5.645  -7.727
  214   3HB   ALA  28          3HB       ALA  28  -2.582  -4.055  -7.932
  215    H    TRP  29           H        TRP  29  -1.785  -2.653  -6.544
  216    HA   TRP  29           HA       TRP  29  -2.100  -0.485  -5.877
  217   1HB   TRP  29          2HB       TRP  29  -4.997  -0.876  -6.466
  218   2HB   TRP  29          1HB       TRP  29  -3.909   0.410  -6.976
  219    HD1  TRP  29           HD1      TRP  29  -5.764  -2.231  -8.491
  220    HE1  TRP  29          1HE       TRP  29  -4.690  -3.061 -10.679
  221    HE3  TRP  29          3HE       TRP  29  -1.104  -0.216  -7.916
  222    HZ2  TRP  29          2HZ       TRP  29  -2.192  -2.886 -11.986
  223    HZ3  TRP  29          3HZ       TRP  29   0.572  -0.595  -9.679
  224    HH2  TRP  29           HH2      TRP  29   0.036  -1.903 -11.671
  225    H    THR  30           H        THR  30  -1.727  -1.142  -3.590
  226    HA   THR  30           HA       THR  30  -3.283   0.190  -1.809
  227    HB   THR  30           HB       THR  30  -5.216  -1.039  -1.967
  228    HG1  THR  30          1HG       THR  30  -4.250  -1.277   0.186
  229   1HG2  THR  30          1HG2      THR  30  -3.702  -2.890  -3.341
  230   2HG2  THR  30          2HG2      THR  30  -5.434  -2.976  -3.014
  231   3HG2  THR  30          3HG2      THR  30  -4.291  -3.777  -1.934
  232    H    TYR  31           H        TYR  31  -2.593  -0.019   0.345
  233    HA   TYR  31           HA       TYR  31  -0.361  -1.899   0.754
  234   1HB   TYR  31          2HB       TYR  31   0.828  -0.223   2.007
  235   2HB   TYR  31          1HB       TYR  31   0.380   0.475   0.455
  236    HD1  TYR  31          1HD       TYR  31  -1.832   1.861   0.430
  237    HD2  TYR  31          2HD       TYR  31   0.362   0.940   3.957
  238    HE1  TYR  31          1HE       TYR  31  -2.907   3.748   1.584
  239    HE2  TYR  31          2HE       TYR  31  -0.708   2.824   5.121
  240    HH   TYR  31           HH       TYR  31  -3.308   4.659   3.648
  241    H    CYS  32           H        CYS  32   0.163  -1.922   3.266
  242    HA   CYS  32           HA       CYS  32  -2.413  -2.320   4.641
  243   1HB   CYS  32          2HB       CYS  32  -0.054  -4.029   4.351
  244   2HB   CYS  32          1HB       CYS  32  -0.603  -3.869   6.016
  245    H    GLU  33           H        GLU  33  -1.950  -2.490   7.147
  246    HA   GLU  33           HA       GLU  33  -0.968   0.106   7.915
  247   1HB   GLU  33          2HB       GLU  33  -2.955  -0.631   9.001
  248   2HB   GLU  33          1HB       GLU  33  -2.225  -2.168   9.445
  249   1HG   GLU  33          2HG       GLU  33  -1.120  -1.293  11.223
  250   2HG   GLU  33          1HG       GLU  33  -0.945   0.295  10.475
  251    H    ASN  34           H        ASN  34   0.271  -3.088   7.798
  252    HA   ASN  34           HA       ASN  34   2.570  -2.277   9.454
  253   1HB   ASN  34          2HB       ASN  34   0.978  -4.368  10.006
  254   2HB   ASN  34          1HB       ASN  34   2.101  -5.160   8.905
  255   1HD2  ASN  34          1HD2      ASN  34   3.866  -2.774  10.143
  256   2HD2  ASN  34          2HD2      ASN  34   4.558  -3.563  11.514
  257    H    ARG  35           H        ARG  35   4.483  -2.134   8.474
  258    HA   ARG  35           HA       ARG  35   4.755  -2.470   5.691
  259   1HB   ARG  35          2HB       ARG  35   6.325  -1.474   7.887
  260   2HB   ARG  35          1HB       ARG  35   7.323  -2.479   6.849
  261   1HG   ARG  35          2HG       ARG  35   6.715  -1.134   4.923
  262   2HG   ARG  35          1HG       ARG  35   5.653  -0.149   5.931
  263   1HD   ARG  35          2HD       ARG  35   8.037  -0.042   7.283
  264   2HD   ARG  35          1HD       ARG  35   8.553  -0.049   5.596
  265    HE   ARG  35           HE       ARG  35   6.791   1.957   6.836
  266   1HH1  ARG  35          2HH1      ARG  35   8.930   0.933   4.285
  267   2HH1  ARG  35          1HH1      ARG  35   8.998   2.494   3.537
  268   1HH2  ARG  35          1HH2      ARG  35   6.869   4.017   5.859
  269   2HH2  ARG  35          2HH2      ARG  35   7.826   4.248   4.432
  270    H    ASN  36           H        ASN  36   4.188  -4.853   7.640
  271    HA   ASN  36           HA       ASN  36   5.988  -6.710   6.245
  272   1HB   ASN  36          2HB       ASN  36   6.432  -6.183   8.811
  273   2HB   ASN  36          1HB       ASN  36   5.136  -7.354   9.030
  274   1HD2  ASN  36          1HD2      ASN  36   7.112  -7.671   6.247
  275   2HD2  ASN  36          2HD2      ASN  36   8.048  -9.018   6.791
  276    H    GLN  37           H        GLN  37   2.903  -5.736   6.919
  277    HA   GLN  37           HA       GLN  37   1.737  -8.413   6.662
  278   1HB   GLN  37          2HB       GLN  37   1.020  -6.242   8.218
  279   2HB   GLN  37          1HB       GLN  37  -0.123  -6.171   6.888
  280   1HG   GLN  37          2HG       GLN  37  -0.881  -8.399   7.339
  281   2HG   GLN  37          1HG       GLN  37   0.377  -8.625   8.553
  282   1HE2  GLN  37          1HE2      GLN  37  -0.789  -8.903  10.352
  283   2HE2  GLN  37          2HE2      GLN  37  -1.914  -7.756  10.988
  284    H    LYS  38           H        LYS  38   0.302  -8.934   5.003
  285    HA   LYS  38           HA       LYS  38   0.617  -7.310   2.589
  286   1HB   LYS  38          2HB       LYS  38  -0.727  -9.816   2.154
  287   2HB   LYS  38          1HB       LYS  38   0.814  -9.259   1.518
  288   1HG   LYS  38          2HG       LYS  38   1.806  -9.943   3.755
  289   2HG   LYS  38          1HG       LYS  38   0.281 -10.784   4.043
  290   1HD   LYS  38          2HD       LYS  38   1.590 -11.287   1.441
  291   2HD   LYS  38          1HD       LYS  38   2.407 -11.933   2.867
  292   1HE   LYS  38          2HE       LYS  38   0.742 -13.415   3.319
  293   2HE   LYS  38          1HE       LYS  38  -0.517 -12.367   2.664
  294   1HZ   LYS  38          1HZ       LYS  38  -0.427 -13.443   0.747
  295   2HZ   LYS  38          2HZ       LYS  38   0.655 -14.547   1.434
  296   3HZ   LYS  38          3HZ       LYS  38   1.241 -13.193   0.608
  297    H    CYS  39           H        CYS  39  -1.190  -6.893   1.210
  298    HA   CYS  39           HA       CYS  39  -3.736  -6.761   2.682
  299   1HB   CYS  39          2HB       CYS  39  -2.900  -4.563   2.149
  300   2HB   CYS  39          1HB       CYS  39  -2.674  -5.017   0.463
  301    H    CYS  40           H        CYS  40  -4.806  -8.540   2.118
  302    HA   CYS  40           HA       CYS  40  -4.985  -9.285  -0.699
  303   1HB   CYS  40          2HB       CYS  40  -6.321 -11.185   0.859
  304   2HB   CYS  40          1HB       CYS  40  -4.720 -11.331   0.143
  305    H    GLU  41           H        GLU  41  -7.206 -10.271  -1.273
  306    HA   GLU  41           HA       GLU  41  -9.123  -8.257  -1.279
  307   1HB   GLU  41          2HB       GLU  41  -9.774  -9.649  -2.910
  308   2HB   GLU  41          1HB       GLU  41  -8.939 -11.013  -2.181
  309   1HG   GLU  41          2HG       GLU  41 -10.804 -11.821  -1.252
  310   2HG   GLU  41          1HG       GLU  41 -11.393 -10.222  -0.799
  311    H    TYR  42           HN       TYR  42  -9.764 -11.411   0.220
  312    HA   TYR  42           HA       TYR  42 -11.073  -9.985   2.439
  313   1HB   TYR  42          2HB       TYR  42 -12.765 -11.059   1.129
  314   2HB   TYR  42          1HB       TYR  42 -11.848 -12.558   1.080
  315    HD1  TYR  42          1HD       TYR  42 -13.501 -13.997   2.008
  316    HD2  TYR  42          2HD       TYR  42 -12.321 -10.486   4.101
  317    HE1  TYR  42          1HE       TYR  42 -14.695 -14.792   4.004
  318    HE2  TYR  42          2HE       TYR  42 -13.510 -11.272   6.104
  319    HH   TYR  42           HH       TYR  42 -14.290 -14.145   6.773
  Start of MODEL    4
    1   1H    ILE   1          1H        ILE   1   3.790   2.263 -13.773
    2   2H    ILE   1          2H        ILE   1   2.564   3.258 -14.447
    3   3H    ILE   1          3H        ILE   1   3.014   3.444 -12.802
    4    HA   ILE   1           HA       ILE   1   4.411   4.237 -15.232
    5    HB   ILE   1           HB       ILE   1   4.335   5.682 -12.607
    6   1HG1  ILE   1          2HG1      ILE   1   2.160   5.713 -14.713
    7   2HG1  ILE   1          1HG1      ILE   1   2.007   5.086 -13.075
    8   1HG2  ILE   1          1HG2      ILE   1   5.703   6.300 -14.741
    9   2HG2  ILE   1          2HG2      ILE   1   4.860   7.559 -13.838
   10   3HG2  ILE   1          3HG2      ILE   1   4.157   6.913 -15.321
   11   1HD1  ILE   1          1HD1      ILE   1   2.918   7.723 -12.819
   12   2HD1  ILE   1          2HD1      ILE   1   1.320   7.083 -12.434
   13   3HD1  ILE   1          3HD1      ILE   1   1.640   7.749 -14.036
   14    H    MET   2           H        MET   2   6.006   5.662 -12.894
   15    HA   MET   2           HA       MET   2   7.857   3.474 -12.291
   16   1HB   MET   2          2HB       MET   2   8.491   4.870 -14.399
   17   2HB   MET   2          1HB       MET   2   8.948   6.103 -13.234
   18   1HG   MET   2          2HG       MET   2  10.943   5.105 -13.311
   19   2HG   MET   2          1HG       MET   2  10.210   3.955 -12.196
   20   1HE   MET   2          1HE       MET   2   8.270   2.269 -14.930
   21   2HE   MET   2          2HE       MET   2   9.126   2.874 -16.348
   22   3HE   MET   2          3HE       MET   2   8.437   4.006 -15.185
   23    H    PHE   3           H        PHE   3   5.956   4.898 -10.662
   24    HA   PHE   3           HA       PHE   3   7.744   6.420  -8.888
   25   1HB   PHE   3          2HB       PHE   3   4.851   6.646  -9.540
   26   2HB   PHE   3          1HB       PHE   3   5.340   7.026  -7.893
   27    HD1  PHE   3          1HD       PHE   3   8.055   8.183  -8.531
   28    HD2  PHE   3          2HD       PHE   3   4.224   8.786 -10.284
   29    HE1  PHE   3          1HE       PHE   3   8.743  10.433  -9.250
   30    HE2  PHE   3          2HE       PHE   3   4.905  11.038 -11.006
   31    HZ   PHE   3           HZ       PHE   3   7.167  11.863 -10.491
   32    H    PHE   4           H        PHE   4   5.253   3.911  -8.966
   33    HA   PHE   4           HA       PHE   4   4.843   2.145  -7.585
   34   1HB   PHE   4          2HB       PHE   4   7.631   2.651  -7.292
   35   2HB   PHE   4          1HB       PHE   4   6.979   2.290  -5.699
   36    HD1  PHE   4          1HD       PHE   4   6.416   0.994  -9.157
   37    HD2  PHE   4          2HD       PHE   4   7.272   0.110  -5.083
   38    HE1  PHE   4          1HE       PHE   4   6.454  -1.408  -9.689
   39    HE2  PHE   4          2HE       PHE   4   7.312  -2.294  -5.609
   40    HZ   PHE   4           HZ       PHE   4   6.904  -3.055  -7.915
   41    H    GLU   5           H        GLU   5   3.125   2.524  -6.338
   42    HA   GLU   5           HA       GLU   5   3.223   3.110  -3.659
   43   1HB   GLU   5          2HB       GLU   5   4.047   5.355  -4.569
   44   2HB   GLU   5          1HB       GLU   5   2.401   5.607  -5.131
   45   1HG   GLU   5          2HG       GLU   5   1.597   5.376  -2.821
   46   2HG   GLU   5          1HG       GLU   5   3.266   5.185  -2.279
   47    H    MET   6           H        MET   6   1.667   1.428  -3.939
   48    HA   MET   6           HA       MET   6  -0.697   1.584  -5.383
   49   1HB   MET   6          2HB       MET   6  -0.008   0.152  -2.823
   50   2HB   MET   6          1HB       MET   6  -1.588  -0.004  -3.577
   51   1HG   MET   6          2HG       MET   6   0.544  -1.609  -4.071
   52   2HG   MET   6          1HG       MET   6  -0.834  -1.394  -5.147
   53   1HE   MET   6          1HE       MET   6   1.399  -2.612  -6.102
   54   2HE   MET   6          2HE       MET   6   2.939  -1.761  -6.003
   55   3HE   MET   6          3HE       MET   6   2.039  -1.778  -7.517
   56    H    GLN   7           H        GLN   7  -2.354   1.040  -2.828
   57    HA   GLN   7           HA       GLN   7  -2.875   3.854  -2.135
   58   1HB   GLN   7          2HB       GLN   7  -4.835   1.705  -2.916
   59   2HB   GLN   7          1HB       GLN   7  -5.329   3.109  -1.981
   60   1HG   GLN   7          2HG       GLN   7  -3.977   4.268  -4.037
   61   2HG   GLN   7          1HG       GLN   7  -4.698   2.864  -4.823
   62   1HE2  GLN   7          1HE2      GLN   7  -7.066   2.536  -4.216
   63   2HE2  GLN   7          2HE2      GLN   7  -8.056   3.953  -4.233
   64    H    ALA   8           H        ALA   8  -5.161   2.943  -0.477
   65    HA   ALA   8           HA       ALA   8  -3.612   1.809   1.759
   66   1HB   ALA   8          1HB       ALA   8  -5.837   3.148   2.815
   67   2HB   ALA   8          2HB       ALA   8  -5.163   4.216   1.583
   68   3HB   ALA   8          3HB       ALA   8  -4.144   3.637   2.902
   69    H    CYS   9           H        CYS   9  -4.166  -0.266   1.966
   70    HA   CYS   9           HA       CYS   9  -6.203  -1.717   1.059
   71   1HB   CYS   9          2HB       CYS   9  -4.303  -2.363   2.716
   72   2HB   CYS   9          1HB       CYS   9  -5.509  -2.058   3.961
   73    H    TRP  10           H        TRP  10  -6.478   0.757   3.449
   74    HA   TRP  10           HA       TRP  10  -9.102  -0.026   4.354
   75   1HB   TRP  10          2HB       TRP  10  -8.697   2.629   5.082
   76   2HB   TRP  10          1HB       TRP  10  -8.382   1.219   6.078
   77    HD1  TRP  10           HD1      TRP  10  -5.741   0.192   5.758
   78    HE1  TRP  10          1HE       TRP  10  -3.562   1.556   5.561
   79    HE3  TRP  10          3HE       TRP  10  -7.736   4.658   4.389
   80    HZ2  TRP  10          2HZ       TRP  10  -2.800   4.206   4.904
   81    HZ3  TRP  10          3HZ       TRP  10  -6.233   6.573   3.988
   82    HH2  TRP  10           HH2      TRP  10  -3.813   6.347   4.243
   83    H    SER  11           H        SER  11  -7.815   2.781   2.572
   84    HA   SER  11           HA       SER  11 -10.250   3.936   1.895
   85   1HB   SER  11          2HB       SER  11  -7.479   4.254   1.141
   86   2HB   SER  11          1HB       SER  11  -8.525   4.443  -0.266
   87    HG   SER  11           HG       SER  11  -9.758   5.943   1.062
   88    H    HIS  12           H        HIS  12  -9.634   0.901   1.256
   89    HA   HIS  12           HA       HIS  12 -11.095   0.949  -1.295
   90   1HB   HIS  12          2HB       HIS  12  -8.457   0.017  -0.929
   91   2HB   HIS  12          1HB       HIS  12  -9.465  -1.416  -1.101
   92    HD1  HIS  12          1HD       HIS  12 -11.358  -0.838  -3.252
   93    HD2  HIS  12          2HD       HIS  12  -7.480   0.650  -3.357
   94    HE1  HIS  12          1HE       HIS  12 -10.901  -0.329  -5.671
   95    HE2  HIS  12          2HE       HIS  12  -8.580   0.655  -5.698
   96    H    SER  13           H        SER  13 -10.488  -0.567   1.779
   97    HA   SER  13           HA       SER  13 -12.043  -1.699   3.077
   98   1HB   SER  13          2HB       SER  13 -13.958  -0.948   1.861
   99   2HB   SER  13          1HB       SER  13 -13.528  -1.916   0.452
  100    HG   SER  13           HG       SER  13 -13.739  -3.741   2.087
  101    H    GLY  14           H        GLY  14  -9.872  -2.900   2.860
  102   1HA   GLY  14          2HA       GLY  14 -10.435  -5.597   1.791
  103   2HA   GLY  14          1HA       GLY  14  -8.844  -4.855   1.674
  104    H    VAL  15           H        VAL  15  -7.943  -6.639   2.799
  105    HA   VAL  15           HA       VAL  15  -8.352  -6.461   5.704
  106    HB   VAL  15           HB       VAL  15  -7.613  -9.132   4.755
  107   1HG1  VAL  15          1HG1      VAL  15  -9.451  -7.924   6.783
  108   2HG1  VAL  15          2HG1      VAL  15  -8.065  -8.989   7.024
  109   3HG1  VAL  15          3HG1      VAL  15  -9.572  -9.635   6.375
  110   1HG2  VAL  15          1HG2      VAL  15  -9.655  -9.793   3.819
  111   2HG2  VAL  15          2HG2      VAL  15  -9.289  -8.258   3.031
  112   3HG2  VAL  15          3HG2      VAL  15 -10.471  -8.318   4.338
  113    H    CYS  16           H        CYS  16  -6.512  -7.907   6.773
  114    HA   CYS  16           HA       CYS  16  -3.974  -7.527   5.369
  115   1HB   CYS  16          2HB       CYS  16  -4.732  -6.302   8.010
  116   2HB   CYS  16          1HB       CYS  16  -3.052  -6.646   7.620
  117    H    ARG  17           H        ARG  17  -2.930  -9.400   5.420
  118    HA   ARG  17           HA       ARG  17  -3.192 -11.080   7.829
  119   1HB   ARG  17          2HB       ARG  17  -2.602 -12.877   5.848
  120   2HB   ARG  17          1HB       ARG  17  -4.209 -12.565   6.486
  121   1HG   ARG  17          2HG       ARG  17  -4.018 -10.624   4.606
  122   2HG   ARG  17          1HG       ARG  17  -3.050 -11.908   3.874
  123   1HD   ARG  17          2HD       ARG  17  -5.309 -12.179   3.142
  124   2HD   ARG  17          1HD       ARG  17  -4.948 -13.472   4.283
  125    HE   ARG  17           HE       ARG  17  -6.215 -11.128   5.417
  126   1HH1  ARG  17          2HH1      ARG  17  -6.632 -14.303   4.046
  127   2HH1  ARG  17          1HH1      ARG  17  -8.193 -14.548   4.757
  128   1HH2  ARG  17          1HH2      ARG  17  -8.268 -11.440   6.358
  129   2HH2  ARG  17          2HH2      ARG  17  -9.123 -12.919   6.073
  130    H    ASP  18           H        ASP  18  -1.386 -12.965   7.493
  131    HA   ASP  18           HA       ASP  18   1.045 -11.787   8.109
  132   1HB   ASP  18          2HB       ASP  18   0.696 -14.027   8.805
  133   2HB   ASP  18          1HB       ASP  18   0.350 -14.564   7.162
  134    H    LYS  19           H        LYS  19   2.646 -10.952   6.959
  135    HA   LYS  19           HA       LYS  19   2.478 -10.321   4.283
  136   1HB   LYS  19          2HB       LYS  19   4.331  -9.168   4.753
  137   2HB   LYS  19          1HB       LYS  19   4.325  -9.913   6.345
  138   1HG   LYS  19          2HG       LYS  19   6.256 -10.875   5.870
  139   2HG   LYS  19          1HG       LYS  19   5.463 -11.792   4.587
  140   1HD   LYS  19          2HD       LYS  19   5.974 -10.120   2.968
  141   2HD   LYS  19          1HD       LYS  19   6.511  -8.993   4.215
  142   1HE   LYS  19          2HE       LYS  19   8.240 -10.383   2.796
  143   2HE   LYS  19          1HE       LYS  19   8.517 -10.054   4.506
  144   1HZ   LYS  19          1HZ       LYS  19   8.903 -12.393   3.863
  145   2HZ   LYS  19          2HZ       LYS  19   7.266 -12.537   3.466
  146   3HZ   LYS  19          3HZ       LYS  19   7.724 -12.225   5.064
  147    H    SER  20           H        SER  20   3.559 -13.273   5.752
  148    HA   SER  20           HA       SER  20   4.404 -14.287   3.122
  149   1HB   SER  20          2HB       SER  20   5.673 -14.421   5.613
  150   2HB   SER  20          1HB       SER  20   5.040 -16.042   5.335
  151    HG   SER  20           HG       SER  20   6.156 -16.112   3.391
  152    H    GLU  21           H        GLU  21   1.640 -14.079   4.389
  153    HA   GLU  21           HA       GLU  21   0.710 -16.624   5.064
  154   1HB   GLU  21          2HB       GLU  21  -0.829 -15.009   5.589
  155   2HB   GLU  21          1HB       GLU  21  -0.549 -14.103   4.107
  156   1HG   GLU  21          2HG       GLU  21  -2.290 -15.049   3.145
  157   2HG   GLU  21          1HG       GLU  21  -1.646 -16.654   3.470
  158    H    ARG  22           H        ARG  22   0.637 -18.379   3.905
  159    HA   ARG  22           HA       ARG  22   0.951 -18.329   1.043
  160   1HB   ARG  22          2HB       ARG  22   1.118 -20.290   3.205
  161   2HB   ARG  22          1HB       ARG  22   0.391 -20.934   1.744
  162   1HG   ARG  22          2HG       ARG  22   2.837 -19.374   1.317
  163   2HG   ARG  22          1HG       ARG  22   3.048 -20.865   2.237
  164   1HD   ARG  22          2HD       ARG  22   2.647 -20.510  -0.583
  165   2HD   ARG  22          1HD       ARG  22   3.052 -21.975   0.311
  166    HE   ARG  22           HE       ARG  22   0.578 -22.158   0.711
  167   1HH1  ARG  22          2HH1      ARG  22   1.877 -20.501  -2.061
  168   2HH1  ARG  22          1HH1      ARG  22   0.478 -20.778  -3.043
  169   1HH2  ARG  22          1HH2      ARG  22  -1.271 -22.527  -0.572
  170   2HH2  ARG  22          2HH2      ARG  22  -1.313 -21.929  -2.197
  171    H    ASN  23           H        ASN  23  -1.621 -17.755   2.920
  172    HA   ASN  23           HA       ASN  23  -3.476 -18.738   0.870
  173   1HB   ASN  23          2HB       ASN  23  -3.359 -20.228   2.999
  174   2HB   ASN  23          1HB       ASN  23  -4.247 -18.917   3.768
  175   1HD2  ASN  23          1HD2      ASN  23  -6.014 -20.298   4.090
  176   2HD2  ASN  23          2HD2      ASN  23  -7.076 -20.722   2.797
  177    H    CYS  24           H        CYS  24  -2.922 -16.301   0.528
  178    HA   CYS  24           HA       CYS  24  -5.131 -14.795   1.728
  179   1HB   CYS  24          2HB       CYS  24  -3.327 -14.010   3.035
  180   2HB   CYS  24          1HB       CYS  24  -2.240 -13.957   1.650
  181    H    LYS  25           H        LYS  25  -6.346 -13.872   0.222
  182    HA   LYS  25           HA       LYS  25  -5.734 -13.997  -2.526
  183   1HB   LYS  25          2HB       LYS  25  -7.977 -13.365  -0.942
  184   2HB   LYS  25          1HB       LYS  25  -7.692 -11.959  -1.957
  185   1HG   LYS  25          2HG       LYS  25  -7.723 -13.409  -3.943
  186   2HG   LYS  25          1HG       LYS  25  -8.073 -14.792  -2.905
  187   1HD   LYS  25          2HD       LYS  25 -10.002 -13.055  -2.120
  188   2HD   LYS  25          1HD       LYS  25  -9.830 -12.620  -3.821
  189   1HE   LYS  25          2HE       LYS  25 -11.543 -14.396  -3.322
  190   2HE   LYS  25          1HE       LYS  25 -10.332 -14.824  -4.529
  191   1HZ   LYS  25          1HZ       LYS  25  -9.234 -16.218  -3.036
  192   2HZ   LYS  25          2HZ       LYS  25 -10.871 -16.540  -2.761
  193   3HZ   LYS  25          3HZ       LYS  25 -10.011 -15.560  -1.684
  194    HA   PRO  26           HA       PRO  26  -2.792 -10.536  -2.301
  195   1HB   PRO  26          2HB       PRO  26  -2.322 -10.736  -5.051
  196   2HB   PRO  26          1HB       PRO  26  -1.379 -11.514  -3.777
  197   1HG   PRO  26          2HG       PRO  26  -3.556 -12.634  -5.477
  198   2HG   PRO  26          1HG       PRO  26  -2.084 -13.416  -4.874
  199   1HD   PRO  26          2HD       PRO  26  -4.471 -13.913  -3.772
  200   2HD   PRO  26          1HD       PRO  26  -3.003 -13.806  -2.776
  201    H    MET  27           H        MET  27  -3.903  -8.684  -2.050
  202    HA   MET  27           HA       MET  27  -5.664  -7.786  -4.223
  203   1HB   MET  27          2HB       MET  27  -6.935  -7.591  -2.318
  204   2HB   MET  27          1HB       MET  27  -5.544  -7.269  -1.291
  205   1HG   MET  27          2HG       MET  27  -6.975  -5.322  -1.460
  206   2HG   MET  27          1HG       MET  27  -5.397  -5.008  -2.181
  207   1HE   MET  27          1HE       MET  27  -7.663  -7.377  -3.664
  208   2HE   MET  27          2HE       MET  27  -6.917  -6.983  -5.212
  209   3HE   MET  27          3HE       MET  27  -8.606  -6.568  -4.917
  210    H    ALA  28           H        ALA  28  -3.722  -7.268  -5.498
  211    HA   ALA  28           HA       ALA  28  -1.706  -5.539  -4.869
  212   1HB   ALA  28          1HB       ALA  28  -2.833  -6.583  -7.247
  213   2HB   ALA  28          2HB       ALA  28  -1.234  -5.877  -7.009
  214   3HB   ALA  28          3HB       ALA  28  -2.589  -4.853  -7.485
  215    H    TRP  29           H        TRP  29  -1.822  -3.297  -6.458
  216    HA   TRP  29           HA       TRP  29  -2.201  -1.075  -6.035
  217   1HB   TRP  29          2HB       TRP  29  -4.964  -2.124  -6.667
  218   2HB   TRP  29          1HB       TRP  29  -4.458  -0.446  -6.775
  219    HD1  TRP  29           HD1      TRP  29  -5.028  -3.216  -8.975
  220    HE1  TRP  29          1HE       TRP  29  -3.677  -3.013 -11.157
  221    HE3  TRP  29          3HE       TRP  29  -1.694   0.375  -7.532
  222    HZ2  TRP  29          2HZ       TRP  29  -1.485  -1.525 -12.136
  223    HZ3  TRP  29          3HZ       TRP  29   0.001   1.135  -9.149
  224    HH2  TRP  29           HH2      TRP  29   0.100   0.202 -11.404
  225    H    THR  30           H        THR  30  -1.725  -1.602  -3.663
  226    HA   THR  30           HA       THR  30  -2.925  -0.014  -1.929
  227    HB   THR  30           HB       THR  30  -5.118  -0.743  -2.105
  228    HG1  THR  30          1HG       THR  30  -4.071  -1.067   0.109
  229   1HG2  THR  30          1HG2      THR  30  -4.010  -3.166  -3.033
  230   2HG2  THR  30          2HG2      THR  30  -5.693  -2.636  -3.070
  231   3HG2  THR  30          3HG2      THR  30  -5.083  -3.543  -1.686
  232    H    TYR  31           H        TYR  31  -2.237  -0.263   0.207
  233    HA   TYR  31           HA       TYR  31  -0.604  -2.659   0.728
  234   1HB   TYR  31          2HB       TYR  31   0.982  -1.229   1.946
  235   2HB   TYR  31          1HB       TYR  31   0.839  -0.738   0.261
  236    HD1  TYR  31          1HD       TYR  31   1.914   1.403   1.093
  237    HD2  TYR  31          2HD       TYR  31  -1.968   0.159   2.307
  238    HE1  TYR  31          1HE       TYR  31   1.407   3.702   1.808
  239    HE2  TYR  31          2HE       TYR  31  -2.488   2.453   3.024
  240    HH   TYR  31           HH       TYR  31  -0.484   5.124   2.233
  241    H    CYS  32           H        CYS  32  -0.032  -2.705   3.197
  242    HA   CYS  32           HA       CYS  32  -2.582  -2.451   4.623
  243   1HB   CYS  32          2HB       CYS  32  -0.315  -4.350   4.731
  244   2HB   CYS  32          1HB       CYS  32  -1.064  -3.955   6.273
  245    H    GLU  33           H        GLU  33  -2.203  -2.194   7.107
  246    HA   GLU  33           HA       GLU  33  -0.976   0.363   7.471
  247   1HB   GLU  33          2HB       GLU  33  -3.043  -0.852   8.679
  248   2HB   GLU  33          1HB       GLU  33  -1.779  -1.242   9.836
  249   1HG   GLU  33          2HG       GLU  33  -1.434   0.963  10.411
  250   2HG   GLU  33          1HG       GLU  33  -2.113   1.570   8.902
  251    H    ASN  34           H        ASN  34  -0.201  -2.945   8.411
  252    HA   ASN  34           HA       ASN  34   2.213  -2.071   9.784
  253   1HB   ASN  34          2HB       ASN  34   0.555  -4.046  10.425
  254   2HB   ASN  34          1HB       ASN  34   1.598  -4.957   9.338
  255   1HD2  ASN  34          1HD2      ASN  34   1.181  -3.791  12.455
  256   2HD2  ASN  34          2HD2      ASN  34   2.758  -4.134  13.069
  257    H    ARG  35           H        ARG  35   4.170  -2.043   8.889
  258    HA   ARG  35           HA       ARG  35   4.537  -2.537   6.131
  259   1HB   ARG  35          2HB       ARG  35   5.958  -1.261   8.182
  260   2HB   ARG  35          1HB       ARG  35   7.025  -2.533   7.603
  261   1HG   ARG  35          2HG       ARG  35   5.675  -0.776   5.616
  262   2HG   ARG  35          1HG       ARG  35   7.054  -0.149   6.522
  263   1HD   ARG  35          2HD       ARG  35   6.966  -2.557   4.716
  264   2HD   ARG  35          1HD       ARG  35   7.894  -1.074   4.495
  265    HE   ARG  35           HE       ARG  35   8.507  -2.598   6.882
  266   1HH1  ARG  35          2HH1      ARG  35   9.288  -1.928   3.557
  267   2HH1  ARG  35          1HH1      ARG  35  10.907  -2.531   3.679
  268   1HH2  ARG  35          1HH2      ARG  35  10.636  -3.396   7.057
  269   2HH2  ARG  35          2HH2      ARG  35  11.674  -3.367   5.669
  270    H    ASN  36           H        ASN  36   3.803  -4.814   8.101
  271    HA   ASN  36           HA       ASN  36   5.683  -6.750   6.939
  272   1HB   ASN  36          2HB       ASN  36   6.060  -6.169   9.443
  273   2HB   ASN  36          1HB       ASN  36   4.602  -7.117   9.719
  274   1HD2  ASN  36          1HD2      ASN  36   5.884  -8.447   7.073
  275   2HD2  ASN  36          2HD2      ASN  36   6.873  -9.674   7.783
  276    H    GLN  37           H        GLN  37   2.590  -5.713   7.195
  277    HA   GLN  37           HA       GLN  37   1.455  -8.408   6.876
  278   1HB   GLN  37          2HB       GLN  37   0.675  -6.374   8.577
  279   2HB   GLN  37          1HB       GLN  37  -0.455  -6.232   7.239
  280   1HG   GLN  37          2HG       GLN  37  -0.894  -8.699   7.508
  281   2HG   GLN  37          1HG       GLN  37   0.027  -8.606   9.008
  282   1HE2  GLN  37          1HE2      GLN  37  -2.360  -9.469   9.416
  283   2HE2  GLN  37          2HE2      GLN  37  -3.433  -8.261  10.027
  284    H    LYS  38           H        LYS  38   0.019  -8.812   5.172
  285    HA   LYS  38           HA       LYS  38   0.351  -6.997   2.896
  286   1HB   LYS  38          2HB       LYS  38  -0.774  -9.787   2.794
  287   2HB   LYS  38          1HB       LYS  38  -0.081  -8.846   1.484
  288   1HG   LYS  38          2HG       LYS  38   2.117  -8.969   2.687
  289   2HG   LYS  38          1HG       LYS  38   1.362 -10.124   3.787
  290   1HD   LYS  38          2HD       LYS  38   1.362 -10.504   0.803
  291   2HD   LYS  38          1HD       LYS  38   2.673 -11.088   1.830
  292   1HE   LYS  38          2HE       LYS  38   0.912 -12.299   3.174
  293   2HE   LYS  38          1HE       LYS  38  -0.227 -11.894   1.890
  294   1HZ   LYS  38          1HZ       LYS  38   2.309 -13.331   1.370
  295   2HZ   LYS  38          2HZ       LYS  38   0.970 -13.180   0.348
  296   3HZ   LYS  38          3HZ       LYS  38   0.869 -14.138   1.740
  297    H    CYS  39           H        CYS  39  -1.511  -6.850   1.380
  298    HA   CYS  39           HA       CYS  39  -4.001  -6.482   2.890
  299   1HB   CYS  39          2HB       CYS  39  -3.143  -4.421   1.910
  300   2HB   CYS  39          1HB       CYS  39  -3.053  -5.182   0.325
  301    H    CYS  40           H        CYS  40  -5.415  -8.035   2.600
  302    HA   CYS  40           HA       CYS  40  -5.397  -9.579   0.114
  303   1HB   CYS  40          2HB       CYS  40  -5.738 -10.273   2.826
  304   2HB   CYS  40          1HB       CYS  40  -7.287 -10.556   2.045
  305    H    GLU  41           H        GLU  41  -7.583 -10.356  -0.630
  306    HA   GLU  41           HA       GLU  41  -9.183  -8.078  -1.267
  307   1HB   GLU  41          2HB       GLU  41  -8.915 -10.827  -2.155
  308   2HB   GLU  41          1HB       GLU  41 -10.601 -10.351  -2.036
  309   1HG   GLU  41          2HG       GLU  41  -8.808  -8.430  -3.362
  310   2HG   GLU  41          1HG       GLU  41  -9.081  -9.953  -4.207
  311    H    TYR  42           HN       TYR  42  -9.978 -11.150   0.371
  312    HA   TYR  42           HA       TYR  42 -11.872  -9.675   2.055
  313   1HB   TYR  42          2HB       TYR  42 -13.537 -10.576   0.817
  314   2HB   TYR  42          1HB       TYR  42 -12.487 -11.807   0.122
  315    HD1  TYR  42          1HD       TYR  42 -12.464 -14.014   0.977
  316    HD2  TYR  42          2HD       TYR  42 -14.524 -10.953   3.093
  317    HE1  TYR  42          1HE       TYR  42 -13.492 -15.715   2.424
  318    HE2  TYR  42          2HE       TYR  42 -15.557 -12.643   4.547
  319    HH   TYR  42           HH       TYR  42 -14.496 -15.610   4.961
  Start of MODEL    5
    1   1H    ILE   1          1H        ILE   1  -1.410  11.380 -12.598
    2   2H    ILE   1          2H        ILE   1  -1.456  12.535 -13.868
    3   3H    ILE   1          3H        ILE   1  -1.306  13.051 -12.238
    4    HA   ILE   1           HA       ILE   1   0.677  12.497 -14.055
    5    HB   ILE   1           HB       ILE   1   1.122  12.792 -11.103
    6   1HG1  ILE   1          2HG1      ILE   1   0.799  15.299 -12.588
    7   2HG1  ILE   1          1HG1      ILE   1  -0.693  14.377 -12.443
    8   1HG2  ILE   1          1HG2      ILE   1   3.012  12.572 -12.740
    9   2HG2  ILE   1          2HG2      ILE   1   3.043  14.034 -11.753
   10   3HG2  ILE   1          3HG2      ILE   1   2.502  14.114 -13.429
   11   1HD1  ILE   1          1HD1      ILE   1  -0.078  16.125 -10.644
   12   2HD1  ILE   1          2HD1      ILE   1   0.996  14.868 -10.036
   13   3HD1  ILE   1          3HD1      ILE   1  -0.738  14.567 -10.150
   14    H    MET   2           H        MET   2   2.337  11.582 -11.542
   15    HA   MET   2           HA       MET   2   2.688   8.904 -12.441
   16   1HB   MET   2          2HB       MET   2   3.737  10.261  -9.951
   17   2HB   MET   2          1HB       MET   2   4.296   8.720 -10.584
   18   1HG   MET   2          2HG       MET   2   4.418  10.740 -12.622
   19   2HG   MET   2          1HG       MET   2   5.274  11.266 -11.173
   20   1HE   MET   2          1HE       MET   2   6.267   8.186 -10.098
   21   2HE   MET   2          2HE       MET   2   6.967   9.796  -9.923
   22   3HE   MET   2          3HE       MET   2   7.916   8.494 -10.645
   23    H    PHE   3           H        PHE   3   1.570   7.159 -11.892
   24    HA   PHE   3           HA       PHE   3  -0.201   7.288  -9.563
   25   1HB   PHE   3          2HB       PHE   3  -1.001   6.632 -11.920
   26   2HB   PHE   3          1HB       PHE   3  -0.179   5.100 -11.634
   27    HD1  PHE   3          1HD       PHE   3  -1.859   6.982  -8.970
   28    HD2  PHE   3          2HD       PHE   3  -2.163   3.765 -11.740
   29    HE1  PHE   3          1HE       PHE   3  -3.842   6.147  -7.777
   30    HE2  PHE   3          2HE       PHE   3  -4.148   2.926 -10.553
   31    HZ   PHE   3           HZ       PHE   3  -4.991   4.118  -8.569
   32    H    PHE   4           H        PHE   4   2.541   6.971  -9.039
   33    HA   PHE   4           HA       PHE   4   2.904   4.142  -8.424
   34   1HB   PHE   4          2HB       PHE   4   4.697   6.528  -8.508
   35   2HB   PHE   4          1HB       PHE   4   5.153   5.172  -7.483
   36    HD1  PHE   4          1HD       PHE   4   6.326   3.399  -8.387
   37    HD2  PHE   4          2HD       PHE   4   4.112   5.960 -10.968
   38    HE1  PHE   4          1HE       PHE   4   7.265   2.237 -10.342
   39    HE2  PHE   4          2HE       PHE   4   5.048   4.802 -12.926
   40    HZ   PHE   4           HZ       PHE   4   6.625   2.938 -12.615
   41    H    GLU   5           H        GLU   5   0.864   4.828  -6.977
   42    HA   GLU   5           HA       GLU   5   1.860   4.751  -4.270
   43   1HB   GLU   5          2HB       GLU   5   0.834   7.209  -5.404
   44   2HB   GLU   5          1HB       GLU   5  -0.165   6.676  -4.059
   45   1HG   GLU   5          2HG       GLU   5   1.524   6.915  -2.527
   46   2HG   GLU   5          1HG       GLU   5   2.793   6.715  -3.734
   47    H    MET   6           H        MET   6   0.884   2.853  -3.837
   48    HA   MET   6           HA       MET   6  -1.506   1.876  -4.779
   49   1HB   MET   6          2HB       MET   6  -0.114   1.421  -2.144
   50   2HB   MET   6          1HB       MET   6  -1.559   0.532  -2.612
   51   1HG   MET   6          2HG       MET   6  -0.196  -0.017  -4.757
   52   2HG   MET   6          1HG       MET   6   1.191   0.417  -3.759
   53   1HE   MET   6          1HE       MET   6   0.643  -2.041  -5.287
   54   2HE   MET   6          2HE       MET   6   0.235  -3.510  -4.402
   55   3HE   MET   6          3HE       MET   6   1.826  -2.778  -4.206
   56    H    GLN   7           H        GLN   7  -2.983   1.248  -2.404
   57    HA   GLN   7           HA       GLN   7  -4.016   3.826  -1.493
   58   1HB   GLN   7          2HB       GLN   7  -5.488   1.836  -3.159
   59   2HB   GLN   7          1HB       GLN   7  -6.376   2.693  -1.907
   60   1HG   GLN   7          2HG       GLN   7  -4.743   4.458  -3.541
   61   2HG   GLN   7          1HG       GLN   7  -5.939   3.560  -4.474
   62   1HE2  GLN   7          1HE2      GLN   7  -5.595   6.437  -3.445
   63   2HE2  GLN   7          2HE2      GLN   7  -7.154   6.818  -2.806
   64    H    ALA   8           H        ALA   8  -4.640   3.796   0.593
   65    HA   ALA   8           HA       ALA   8  -3.924   2.005   2.436
   66   1HB   ALA   8          1HB       ALA   8  -6.421   2.756   3.402
   67   2HB   ALA   8          2HB       ALA   8  -5.943   4.070   2.327
   68   3HB   ALA   8          3HB       ALA   8  -4.891   3.593   3.659
   69    H    CYS   9           H        CYS   9  -4.313  -0.051   2.925
   70    HA   CYS   9           HA       CYS   9  -5.795  -1.799   1.438
   71   1HB   CYS   9          2HB       CYS   9  -4.124  -2.260   3.348
   72   2HB   CYS   9          1HB       CYS   9  -5.524  -2.179   4.409
   73    H    TRP  10           H        TRP  10  -6.918   0.386   3.881
   74    HA   TRP  10           HA       TRP  10  -9.496  -0.893   4.162
   75   1HB   TRP  10          2HB       TRP  10  -9.743   1.636   5.237
   76   2HB   TRP  10          1HB       TRP  10  -9.271   0.197   6.122
   77    HD1  TRP  10           HD1      TRP  10  -6.473  -0.191   6.274
   78    HE1  TRP  10          1HE       TRP  10  -4.650   1.609   6.563
   79    HE3  TRP  10          3HE       TRP  10  -9.143   3.855   4.786
   80    HZ2  TRP  10          2HZ       TRP  10  -4.396   4.411   6.195
   81    HZ3  TRP  10          3HZ       TRP  10  -8.063   6.076   4.772
   82    HH2  TRP  10           HH2      TRP  10  -5.733   6.342   5.464
   83    H    SER  11           H        SER  11  -8.222   2.103   2.747
   84    HA   SER  11           HA       SER  11 -10.608   3.164   1.790
   85   1HB   SER  11          2HB       SER  11  -7.757   3.578   1.317
   86   2HB   SER  11          1HB       SER  11  -8.730   3.881  -0.123
   87    HG   SER  11           HG       SER  11  -8.557   5.755   1.147
   88    H    HIS  12           H        HIS  12  -8.964   0.362   0.812
   89    HA   HIS  12           HA       HIS  12 -10.315   0.328  -1.794
   90   1HB   HIS  12          2HB       HIS  12  -7.741  -0.522  -0.939
   91   2HB   HIS  12          1HB       HIS  12  -8.640  -1.958  -1.422
   92    HD1  HIS  12          1HD       HIS  12  -9.270  -2.180  -3.914
   93    HD2  HIS  12          2HD       HIS  12  -7.115   1.256  -3.013
   94    HE1  HIS  12          1HE       HIS  12  -8.543  -1.242  -6.132
   95    HE2  HIS  12          2HE       HIS  12  -7.166   0.786  -5.557
   96    H    SER  13           H        SER  13 -10.856  -0.623   1.296
   97    HA   SER  13           HA       SER  13 -12.353  -2.034   2.269
   98   1HB   SER  13          2HB       SER  13 -13.364  -2.971  -0.386
   99   2HB   SER  13          1HB       SER  13 -14.261  -2.609   1.089
  100    HG   SER  13           HG       SER  13 -14.206  -0.494   0.627
  101    H    GLY  14           H        GLY  14  -9.993  -3.079   2.341
  102   1HA   GLY  14          2HA       GLY  14 -10.394  -5.894   1.559
  103   2HA   GLY  14          1HA       GLY  14  -8.854  -5.099   1.267
  104    H    VAL  15           H        VAL  15  -7.877  -6.751   2.571
  105    HA   VAL  15           HA       VAL  15  -8.020  -6.099   5.426
  106    HB   VAL  15           HB       VAL  15  -7.948  -8.941   4.408
  107   1HG1  VAL  15          1HG1      VAL  15  -7.789  -7.673   7.098
  108   2HG1  VAL  15          2HG1      VAL  15  -6.916  -9.062   6.449
  109   3HG1  VAL  15          3HG1      VAL  15  -8.601  -9.231   6.940
  110   1HG2  VAL  15          1HG2      VAL  15 -10.134  -8.193   3.956
  111   2HG2  VAL  15          2HG2      VAL  15 -10.218  -7.273   5.457
  112   3HG2  VAL  15          3HG2      VAL  15 -10.244  -9.035   5.501
  113    H    CYS  16           H        CYS  16  -6.184  -7.444   6.580
  114    HA   CYS  16           HA       CYS  16  -3.781  -7.543   4.906
  115   1HB   CYS  16          2HB       CYS  16  -4.063  -5.958   7.466
  116   2HB   CYS  16          1HB       CYS  16  -2.520  -6.330   6.705
  117    H    ARG  17           H        ARG  17  -2.897  -9.473   5.174
  118    HA   ARG  17           HA       ARG  17  -3.131 -10.771   7.810
  119   1HB   ARG  17          2HB       ARG  17  -2.508 -12.709   5.841
  120   2HB   ARG  17          1HB       ARG  17  -3.994 -12.541   6.767
  121   1HG   ARG  17          2HG       ARG  17  -4.049 -10.630   4.675
  122   2HG   ARG  17          1HG       ARG  17  -3.589 -12.189   3.987
  123   1HD   ARG  17          2HD       ARG  17  -5.561 -13.085   5.443
  124   2HD   ARG  17          1HD       ARG  17  -6.092 -11.405   5.418
  125    HE   ARG  17           HE       ARG  17  -5.930 -11.674   2.891
  126   1HH1  ARG  17          2HH1      ARG  17  -6.707 -14.278   5.067
  127   2HH1  ARG  17          1HH1      ARG  17  -7.629 -15.157   3.894
  128   1HH2  ARG  17          1HH2      ARG  17  -7.143 -12.821   1.337
  129   2HH2  ARG  17          2HH2      ARG  17  -7.878 -14.329   1.773
  130    H    ASP  18           H        ASP  18  -1.359 -12.740   7.698
  131    HA   ASP  18           HA       ASP  18   1.110 -11.488   8.116
  132   1HB   ASP  18          2HB       ASP  18   0.017 -14.141   8.348
  133   2HB   ASP  18          1HB       ASP  18   1.613 -14.219   7.611
  134    H    LYS  19           H        LYS  19   2.865 -11.190   6.873
  135    HA   LYS  19           HA       LYS  19   2.673 -10.961   4.124
  136   1HB   LYS  19          2HB       LYS  19   4.743 -10.103   4.273
  137   2HB   LYS  19          1HB       LYS  19   4.564 -10.332   6.007
  138   1HG   LYS  19          2HG       LYS  19   6.539 -11.395   5.723
  139   2HG   LYS  19          1HG       LYS  19   5.465 -12.752   5.390
  140   1HD   LYS  19          2HD       LYS  19   5.714 -12.483   3.043
  141   2HD   LYS  19          1HD       LYS  19   6.518 -10.924   3.242
  142   1HE   LYS  19          2HE       LYS  19   7.611 -13.628   3.354
  143   2HE   LYS  19          1HE       LYS  19   8.419 -12.088   3.051
  144   1HZ   LYS  19          1HZ       LYS  19   7.540 -12.610   5.783
  145   2HZ   LYS  19          2HZ       LYS  19   8.928 -11.824   5.226
  146   3HZ   LYS  19          3HZ       LYS  19   8.856 -13.514   5.221
  147    H    SER  20           H        SER  20   3.045 -13.778   5.984
  148    HA   SER  20           HA       SER  20   3.853 -15.310   3.599
  149   1HB   SER  20          2HB       SER  20   5.033 -15.282   6.121
  150   2HB   SER  20          1HB       SER  20   4.078 -16.765   6.107
  151    HG   SER  20           HG       SER  20   6.385 -16.645   5.165
  152    H    GLU  21           H        GLU  21   1.157 -14.404   4.662
  153    HA   GLU  21           HA       GLU  21  -0.304 -16.519   5.691
  154   1HB   GLU  21          2HB       GLU  21  -1.552 -14.620   5.722
  155   2HB   GLU  21          1HB       GLU  21  -0.941 -14.056   4.170
  156   1HG   GLU  21          2HG       GLU  21  -2.677 -14.901   3.078
  157   2HG   GLU  21          1HG       GLU  21  -2.533 -16.451   3.902
  158    H    ARG  22           H        ARG  22  -0.551 -18.468   4.918
  159    HA   ARG  22           HA       ARG  22  -0.015 -19.198   2.234
  160   1HB   ARG  22          2HB       ARG  22  -0.668 -20.519   4.731
  161   2HB   ARG  22          1HB       ARG  22  -1.505 -21.261   3.377
  162   1HG   ARG  22          2HG       ARG  22   1.033 -20.953   2.402
  163   2HG   ARG  22          1HG       ARG  22   1.313 -21.327   4.103
  164   1HD   ARG  22          2HD       ARG  22  -0.476 -22.943   2.294
  165   2HD   ARG  22          1HD       ARG  22   1.218 -23.323   2.596
  166    HE   ARG  22           HE       ARG  22   0.392 -23.336   5.058
  167   1HH1  ARG  22          2HH1      ARG  22  -1.347 -24.485   2.268
  168   2HH1  ARG  22          1HH1      ARG  22  -2.245 -25.670   3.153
  169   1HH2  ARG  22          1HH2      ARG  22  -0.785 -24.896   6.235
  170   2HH2  ARG  22          2HH2      ARG  22  -1.925 -25.905   5.411
  171    H    ASN  23           H        ASN  23  -2.596 -17.604   3.504
  172    HA   ASN  23           HA       ASN  23  -4.302 -18.414   1.265
  173   1HB   ASN  23          2HB       ASN  23  -4.903 -19.451   3.618
  174   2HB   ASN  23          1HB       ASN  23  -5.607 -17.860   3.896
  175   1HD2  ASN  23          1HD2      ASN  23  -6.947 -20.403   3.718
  176   2HD2  ASN  23          2HD2      ASN  23  -8.069 -20.281   2.410
  177    H    CYS  24           H        CYS  24  -2.964 -16.269   0.844
  178    HA   CYS  24           HA       CYS  24  -4.729 -14.028   1.586
  179   1HB   CYS  24          2HB       CYS  24  -2.486 -13.853   2.629
  180   2HB   CYS  24          1HB       CYS  24  -1.759 -13.888   1.026
  181    H    LYS  25           H        LYS  25  -5.893 -13.407  -0.098
  182    HA   LYS  25           HA       LYS  25  -5.068 -13.967  -2.802
  183   1HB   LYS  25          2HB       LYS  25  -7.363 -12.155  -2.266
  184   2HB   LYS  25          1HB       LYS  25  -7.221 -13.483  -3.413
  185   1HG   LYS  25          2HG       LYS  25  -7.935 -15.033  -1.920
  186   2HG   LYS  25          1HG       LYS  25  -7.234 -14.187  -0.539
  187   1HD   LYS  25          2HD       LYS  25  -9.443 -13.793  -0.132
  188   2HD   LYS  25          1HD       LYS  25  -9.094 -12.403  -1.163
  189   1HE   LYS  25          2HE       LYS  25 -11.168 -14.003  -1.600
  190   2HE   LYS  25          1HE       LYS  25 -10.286 -13.228  -2.914
  191   1HZ   LYS  25          1HZ       LYS  25  -9.085 -15.212  -3.327
  192   2HZ   LYS  25          2HZ       LYS  25 -10.713 -15.653  -3.212
  193   3HZ   LYS  25          3HZ       LYS  25  -9.664 -15.952  -1.920
  194    HA   PRO  26           HA       PRO  26  -2.357 -10.312  -2.767
  195   1HB   PRO  26          2HB       PRO  26  -2.711 -11.070  -5.647
  196   2HB   PRO  26          1HB       PRO  26  -1.251 -10.552  -4.796
  197   1HG   PRO  26          2HG       PRO  26  -1.728 -13.142  -5.308
  198   2HG   PRO  26          1HG       PRO  26  -0.919 -12.617  -3.820
  199   1HD   PRO  26          2HD       PRO  26  -3.622 -13.728  -4.189
  200   2HD   PRO  26          1HD       PRO  26  -2.630 -13.635  -2.721
  201    H    MET  27           H        MET  27  -3.482  -8.491  -2.353
  202    HA   MET  27           HA       MET  27  -5.478  -7.607  -4.328
  203   1HB   MET  27          2HB       MET  27  -6.688  -7.502  -2.404
  204   2HB   MET  27          1HB       MET  27  -5.258  -7.352  -1.389
  205   1HG   MET  27          2HG       MET  27  -5.204  -5.074  -1.557
  206   2HG   MET  27          1HG       MET  27  -6.025  -5.058  -3.116
  207   1HE   MET  27          1HE       MET  27  -9.611  -6.304  -1.748
  208   2HE   MET  27          2HE       MET  27  -8.245  -7.083  -2.545
  209   3HE   MET  27          3HE       MET  27  -8.925  -5.599  -3.212
  210    H    ALA  28           H        ALA  28  -3.794  -6.838  -5.736
  211    HA   ALA  28           HA       ALA  28  -1.766  -5.090  -5.128
  212   1HB   ALA  28          1HB       ALA  28  -2.751  -6.184  -7.422
  213   2HB   ALA  28          2HB       ALA  28  -1.454  -4.991  -7.344
  214   3HB   ALA  28          3HB       ALA  28  -3.111  -4.472  -7.652
  215    H    TRP  29           H        TRP  29  -1.879  -2.757  -6.305
  216    HA   TRP  29           HA       TRP  29  -2.324  -0.602  -5.676
  217   1HB   TRP  29          2HB       TRP  29  -5.069  -1.522  -6.543
  218   2HB   TRP  29          1HB       TRP  29  -4.458   0.126  -6.556
  219    HD1  TRP  29           HD1      TRP  29  -5.181  -2.367  -8.956
  220    HE1  TRP  29          1HE       TRP  29  -3.670  -2.222 -11.035
  221    HE3  TRP  29          3HE       TRP  29  -1.473   0.593  -7.058
  222    HZ2  TRP  29          2HZ       TRP  29  -1.228  -1.010 -11.775
  223    HZ3  TRP  29          3HZ       TRP  29   0.417   1.200  -8.515
  224    HH2  TRP  29           HH2      TRP  29   0.535   0.412 -10.824
  225    H    THR  30           H        THR  30  -1.962  -1.192  -3.374
  226    HA   THR  30           HA       THR  30  -3.534   0.117  -1.630
  227    HB   THR  30           HB       THR  30  -5.487  -1.095  -1.911
  228    HG1  THR  30          1HG       THR  30  -4.678  -1.162   0.313
  229   1HG2  THR  30          1HG2      THR  30  -5.669  -3.113  -2.804
  230   2HG2  THR  30          2HG2      THR  30  -4.602  -3.829  -1.599
  231   3HG2  THR  30          3HG2      THR  30  -3.922  -3.063  -3.032
  232    H    TYR  31           H        TYR  31  -2.501   0.228   0.272
  233    HA   TYR  31           HA       TYR  31  -0.598  -1.926   0.918
  234   1HB   TYR  31          2HB       TYR  31   0.917  -0.308   1.810
  235   2HB   TYR  31          1HB       TYR  31   0.424   0.273   0.223
  236    HD1  TYR  31          1HD       TYR  31   0.162   0.817   3.840
  237    HD2  TYR  31          2HD       TYR  31  -0.930   2.263  -0.008
  238    HE1  TYR  31          1HE       TYR  31  -0.527   2.952   4.845
  239    HE2  TYR  31          2HE       TYR  31  -1.621   4.404   0.985
  240    HH   TYR  31           HH       TYR  31  -2.422   4.950   3.806
  241    H    CYS  32           H        CYS  32   0.129  -1.210   3.440
  242    HA   CYS  32           HA       CYS  32  -2.350  -0.977   4.983
  243   1HB   CYS  32          2HB       CYS  32  -1.408  -3.435   4.521
  244   2HB   CYS  32          1HB       CYS  32  -0.396  -3.023   5.902
  245    H    GLU  33           H        GLU  33  -1.479  -1.288   7.491
  246    HA   GLU  33           HA       GLU  33   0.290   1.001   7.818
  247   1HB   GLU  33          2HB       GLU  33  -0.917  -0.448  10.134
  248   2HB   GLU  33          1HB       GLU  33  -0.618   1.272   9.924
  249   1HG   GLU  33          2HG       GLU  33  -2.685   1.610   9.216
  250   2HG   GLU  33          1HG       GLU  33  -2.526   0.355   7.987
  251    H    ASN  34           H        ASN  34   0.340  -2.430   8.118
  252    HA   ASN  34           HA       ASN  34   2.772  -2.393   9.738
  253   1HB   ASN  34          2HB       ASN  34   0.706  -4.064   9.903
  254   2HB   ASN  34          1HB       ASN  34   1.625  -4.932   8.678
  255   1HD2  ASN  34          1HD2      ASN  34   1.233  -4.337  11.960
  256   2HD2  ASN  34          2HD2      ASN  34   2.661  -5.123  12.534
  257    H    ARG  35           H        ARG  35   4.745  -2.597   8.899
  258    HA   ARG  35           HA       ARG  35   5.063  -2.809   6.045
  259   1HB   ARG  35          2HB       ARG  35   6.597  -1.826   8.263
  260   2HB   ARG  35          1HB       ARG  35   7.579  -2.940   7.327
  261   1HG   ARG  35          2HG       ARG  35   6.039  -0.834   5.897
  262   2HG   ARG  35          1HG       ARG  35   7.513  -0.387   6.757
  263   1HD   ARG  35          2HD       ARG  35   7.647  -2.769   5.005
  264   2HD   ARG  35          1HD       ARG  35   7.500  -1.203   4.210
  265    HE   ARG  35           HE       ARG  35   9.545  -1.271   6.222
  266   1HH1  ARG  35          2HH1      ARG  35   8.796  -1.957   2.892
  267   2HH1  ARG  35          1HH1      ARG  35  10.438  -1.821   2.358
  268   1HH2  ARG  35          1HH2      ARG  35  11.713  -1.088   5.531
  269   2HH2  ARG  35          2HH2      ARG  35  12.097  -1.326   3.859
  270    H    ASN  36           H        ASN  36   4.266  -5.110   7.992
  271    HA   ASN  36           HA       ASN  36   6.051  -7.093   6.756
  272   1HB   ASN  36          2HB       ASN  36   6.369  -6.563   9.317
  273   2HB   ASN  36          1HB       ASN  36   4.942  -7.580   9.495
  274   1HD2  ASN  36          1HD2      ASN  36   7.887  -7.664   7.512
  275   2HD2  ASN  36          2HD2      ASN  36   8.307  -9.292   7.906
  276    H    GLN  37           H        GLN  37   2.978  -5.945   7.127
  277    HA   GLN  37           HA       GLN  37   1.734  -8.579   6.736
  278   1HB   GLN  37          2HB       GLN  37   1.029  -6.556   8.449
  279   2HB   GLN  37          1HB       GLN  37  -0.042  -6.270   7.086
  280   1HG   GLN  37          2HG       GLN  37  -0.906  -8.519   7.247
  281   2HG   GLN  37          1HG       GLN  37   0.235  -8.890   8.539
  282   1HE2  GLN  37          1HE2      GLN  37  -2.247  -9.401   9.152
  283   2HE2  GLN  37          2HE2      GLN  37  -2.936  -8.202  10.188
  284    H    LYS  38           H        LYS  38   0.316  -8.930   5.016
  285    HA   LYS  38           HA       LYS  38   0.720  -7.126   2.742
  286   1HB   LYS  38          2HB       LYS  38  -0.518  -9.842   2.513
  287   2HB   LYS  38          1HB       LYS  38   0.429  -8.952   1.331
  288   1HG   LYS  38          2HG       LYS  38   2.352  -9.268   3.072
  289   2HG   LYS  38          1HG       LYS  38   1.339 -10.597   3.639
  290   1HD   LYS  38          2HD       LYS  38   1.736 -10.456   0.723
  291   2HD   LYS  38          1HD       LYS  38   3.180 -10.824   1.669
  292   1HE   LYS  38          2HE       LYS  38   1.980 -12.662   2.764
  293   2HE   LYS  38          1HE       LYS  38   0.554 -12.304   1.791
  294   1HZ   LYS  38          1HZ       LYS  38   1.748 -14.108   0.801
  295   2HZ   LYS  38          2HZ       LYS  38   3.194 -13.231   0.797
  296   3HZ   LYS  38          3HZ       LYS  38   1.914 -12.755  -0.202
  297    H    CYS  39           H        CYS  39  -1.100  -6.798   1.258
  298    HA   CYS  39           HA       CYS  39  -3.650  -6.644   2.717
  299   1HB   CYS  39          2HB       CYS  39  -2.727  -4.438   2.166
  300   2HB   CYS  39          1HB       CYS  39  -2.658  -4.882   0.467
  301    H    CYS  40           H        CYS  40  -4.979  -8.179   2.094
  302    HA   CYS  40           HA       CYS  40  -4.992  -8.996  -0.727
  303   1HB   CYS  40          2HB       CYS  40  -5.234 -10.458   1.817
  304   2HB   CYS  40          1HB       CYS  40  -6.363 -10.957   0.566
  305    H    GLU  41           H        GLU  41  -7.275 -10.106  -1.190
  306    HA   GLU  41           HA       GLU  41  -9.123  -8.091  -1.519
  307   1HB   GLU  41          2HB       GLU  41  -8.992 -10.887  -2.020
  308   2HB   GLU  41          1HB       GLU  41 -10.545 -10.551  -1.271
  309   1HG   GLU  41          2HG       GLU  41  -9.463  -9.129  -3.690
  310   2HG   GLU  41          1HG       GLU  41 -10.602 -10.471  -3.733
  311    H    TYR  42           HN       TYR  42  -9.753 -10.837   0.659
  312    HA   TYR  42           HA       TYR  42 -10.749  -8.965   2.681
  313   1HB   TYR  42          2HB       TYR  42 -12.866  -9.477   2.136
  314   2HB   TYR  42          1HB       TYR  42 -12.357 -10.794   1.086
  315    HD1  TYR  42          1HD       TYR  42 -12.212 -13.072   1.923
  316    HD2  TYR  42          2HD       TYR  42 -13.446  -9.887   4.460
  317    HE1  TYR  42          1HE       TYR  42 -13.055 -14.706   3.555
  318    HE2  TYR  42          2HE       TYR  42 -14.291 -11.512   6.101
  319    HH   TYR  42           HH       TYR  42 -14.937 -13.742   6.320
  Start of MODEL    6
    1   1H    ILE   1          1H        ILE   1   2.266  13.851 -11.338
    2   2H    ILE   1          2H        ILE   1   1.322  13.815 -12.773
    3   3H    ILE   1          3H        ILE   1   2.933  14.405 -12.817
    4    HA   ILE   1           HA       ILE   1   1.922  11.737 -12.907
    5    HB   ILE   1           HB       ILE   1   4.407  11.517 -13.755
    6   1HG1  ILE   1          2HG1      ILE   1   5.330  13.559 -14.639
    7   2HG1  ILE   1          1HG1      ILE   1   3.903  14.473 -14.158
    8   1HG2  ILE   1          1HG2      ILE   1   1.927  12.429 -15.004
    9   2HG2  ILE   1          2HG2      ILE   1   3.042  11.151 -15.490
   10   3HG2  ILE   1          3HG2      ILE   1   3.379  12.828 -15.920
   11   1HD1  ILE   1          1HD1      ILE   1   4.469  13.968 -11.790
   12   2HD1  ILE   1          2HD1      ILE   1   5.660  14.963 -12.632
   13   3HD1  ILE   1          3HD1      ILE   1   5.974  13.248 -12.359
   14    H    MET   2           H        MET   2   3.496   9.960 -12.313
   15    HA   MET   2           HA       MET   2   4.288   8.716 -10.562
   16   1HB   MET   2          2HB       MET   2   6.364   9.602 -11.345
   17   2HB   MET   2          1HB       MET   2   6.084  11.139 -10.538
   18   1HG   MET   2          2HG       MET   2   6.908  10.406  -8.603
   19   2HG   MET   2          1HG       MET   2   6.066   8.863  -8.719
   20   1HE   MET   2          1HE       MET   2   9.561  10.133 -11.098
   21   2HE   MET   2          2HE       MET   2  10.158  10.150  -9.439
   22   3HE   MET   2          3HE       MET   2   8.722  11.079  -9.869
   23    H    PHE   3           H        PHE   3   2.764   8.522  -9.002
   24    HA   PHE   3           HA       PHE   3   2.581  10.655  -6.984
   25   1HB   PHE   3          2HB       PHE   3   0.649   8.392  -7.533
   26   2HB   PHE   3          1HB       PHE   3   0.415   9.695  -6.375
   27    HD1  PHE   3          1HD       PHE   3   0.323  12.078  -7.285
   28    HD2  PHE   3          2HD       PHE   3  -0.057   8.618  -9.733
   29    HE1  PHE   3          1HE       PHE   3  -0.751  13.437  -9.032
   30    HE2  PHE   3          2HE       PHE   3  -1.131   9.971 -11.486
   31    HZ   PHE   3           HZ       PHE   3  -1.477  12.384 -11.137
   32    H    PHE   4           H        PHE   4   4.243   7.930  -7.458
   33    HA   PHE   4           HA       PHE   4   4.713   6.055  -6.082
   34   1HB   PHE   4          2HB       PHE   4   5.995   8.601  -5.392
   35   2HB   PHE   4          1HB       PHE   4   6.085   7.396  -4.112
   36    HD1  PHE   4          1HD       PHE   4   5.850   5.559  -7.006
   37    HD2  PHE   4          2HD       PHE   4   8.596   8.052  -4.918
   38    HE1  PHE   4          1HE       PHE   4   7.721   4.468  -8.173
   39    HE2  PHE   4          2HE       PHE   4  10.472   6.964  -6.080
   40    HZ   PHE   4           HZ       PHE   4  10.035   5.171  -7.711
   41    H    GLU   5           H        GLU   5   2.600   5.450  -5.327
   42    HA   GLU   5           HA       GLU   5   2.327   4.953  -2.691
   43   1HB   GLU   5          2HB       GLU   5   2.350   7.295  -2.146
   44   2HB   GLU   5          1HB       GLU   5   1.098   7.637  -3.332
   45   1HG   GLU   5          2HG       GLU   5   0.187   5.662  -1.458
   46   2HG   GLU   5          1HG       GLU   5   0.774   7.093  -0.613
   47    H    MET   6           H        MET   6   0.882   3.371  -2.681
   48    HA   MET   6           HA       MET   6  -1.020   3.096  -4.815
   49   1HB   MET   6          2HB       MET   6  -0.460   1.435  -2.357
   50   2HB   MET   6          1HB       MET   6  -1.679   1.012  -3.552
   51   1HG   MET   6          2HG       MET   6   0.866   1.560  -4.798
   52   2HG   MET   6          1HG       MET   6   1.002   0.303  -3.567
   53   1HE   MET   6          1HE       MET   6   1.129  -2.179  -5.773
   54   2HE   MET   6          2HE       MET   6   1.972  -0.638  -5.624
   55   3HE   MET   6          3HE       MET   6   1.115  -1.033  -7.113
   56    H    GLN   7           H        GLN   7  -2.633   1.730  -2.383
   57    HA   GLN   7           HA       GLN   7  -4.042   4.119  -1.473
   58   1HB   GLN   7          2HB       GLN   7  -5.061   2.230  -3.450
   59   2HB   GLN   7          1HB       GLN   7  -6.131   2.404  -2.066
   60   1HG   GLN   7          2HG       GLN   7  -5.245   4.480  -4.029
   61   2HG   GLN   7          1HG       GLN   7  -6.881   3.997  -3.584
   62   1HE2  GLN   7          1HE2      GLN   7  -5.414   6.616  -3.580
   63   2HE2  GLN   7          2HE2      GLN   7  -5.667   7.253  -1.994
   64    H    ALA   8           H        ALA   8  -4.769   3.945   0.572
   65    HA   ALA   8           HA       ALA   8  -3.893   2.057   2.331
   66   1HB   ALA   8          1HB       ALA   8  -5.625   4.267   2.436
   67   2HB   ALA   8          2HB       ALA   8  -4.886   3.406   3.787
   68   3HB   ALA   8          3HB       ALA   8  -6.480   2.929   3.203
   69    H    CYS   9           H        CYS   9  -4.328  -0.005   2.752
   70    HA   CYS   9           HA       CYS   9  -5.921  -1.630   1.212
   71   1HB   CYS   9          2HB       CYS   9  -4.138  -2.240   2.982
   72   2HB   CYS   9          1HB       CYS   9  -5.475  -2.226   4.124
   73    H    TRP  10           H        TRP  10  -6.837   0.378   3.892
   74    HA   TRP  10           HA       TRP  10  -9.355  -0.878   4.397
   75   1HB   TRP  10          2HB       TRP  10  -9.527   1.770   5.270
   76   2HB   TRP  10          1HB       TRP  10  -9.080   0.378   6.237
   77    HD1  TRP  10           HD1      TRP  10  -6.281  -0.159   6.204
   78    HE1  TRP  10          1HE       TRP  10  -4.369   1.569   6.316
   79    HE3  TRP  10          3HE       TRP  10  -8.870   3.959   4.755
   80    HZ2  TRP  10          2HZ       TRP  10  -4.021   4.342   5.841
   81    HZ3  TRP  10          3HZ       TRP  10  -7.698   6.125   4.599
   82    HH2  TRP  10           HH2      TRP  10  -5.319   6.308   5.134
   83    H    SER  11           H        SER  11  -8.359   2.071   2.682
   84    HA   SER  11           HA       SER  11 -10.879   2.944   1.886
   85   1HB   SER  11          2HB       SER  11  -8.152   3.599   1.297
   86   2HB   SER  11          1HB       SER  11  -9.061   3.541  -0.212
   87    HG   SER  11           HG       SER  11  -9.798   5.012   2.103
   88    H    HIS  12           H        HIS  12  -9.021   0.267   0.801
   89    HA   HIS  12           HA       HIS  12 -10.682  -0.035  -1.599
   90   1HB   HIS  12          2HB       HIS  12  -7.967  -0.924  -0.830
   91   2HB   HIS  12          1HB       HIS  12  -8.908  -2.069  -1.781
   92    HD1  HIS  12          1HD       HIS  12 -10.332  -0.029  -3.645
   93    HD2  HIS  12          2HD       HIS  12  -6.269  -0.010  -2.768
   94    HE1  HIS  12          1HE       HIS  12  -9.239   1.186  -5.556
   95    HE2  HIS  12          2HE       HIS  12  -6.791   1.262  -4.960
   96    H    SER  13           H        SER  13 -11.377  -0.607   1.310
   97    HA   SER  13           HA       SER  13 -12.297  -2.281   2.593
   98   1HB   SER  13          2HB       SER  13 -13.617  -2.283  -0.074
   99   2HB   SER  13          1HB       SER  13 -14.020  -3.599   1.030
  100    HG   SER  13           HG       SER  13 -14.037  -0.965   1.987
  101    H    GLY  14           H        GLY  14  -9.975  -3.246   2.452
  102   1HA   GLY  14          2HA       GLY  14 -10.249  -6.003   1.422
  103   2HA   GLY  14          1HA       GLY  14  -8.740  -5.110   1.308
  104    H    VAL  15           H        VAL  15  -7.724  -6.828   2.467
  105    HA   VAL  15           HA       VAL  15  -8.069  -6.548   5.364
  106    HB   VAL  15           HB       VAL  15  -7.953  -9.167   3.870
  107   1HG1  VAL  15          1HG1      VAL  15  -6.409  -9.117   5.832
  108   2HG1  VAL  15          2HG1      VAL  15  -7.707 -10.303   5.961
  109   3HG1  VAL  15          3HG1      VAL  15  -7.807  -8.787   6.857
  110   1HG2  VAL  15          1HG2      VAL  15 -10.003  -9.609   5.262
  111   2HG2  VAL  15          2HG2      VAL  15 -10.184  -8.358   4.032
  112   3HG2  VAL  15          3HG2      VAL  15  -9.966  -7.907   5.722
  113    H    CYS  16           H        CYS  16  -6.190  -7.813   6.489
  114    HA   CYS  16           HA       CYS  16  -3.708  -7.493   4.952
  115   1HB   CYS  16          2HB       CYS  16  -4.508  -6.124   7.458
  116   2HB   CYS  16          1HB       CYS  16  -2.852  -6.711   7.378
  117    H    ARG  17           H        ARG  17  -2.730  -9.393   4.909
  118    HA   ARG  17           HA       ARG  17  -2.766 -11.045   7.349
  119   1HB   ARG  17          2HB       ARG  17  -2.452 -12.923   5.442
  120   2HB   ARG  17          1HB       ARG  17  -4.012 -12.462   6.105
  121   1HG   ARG  17          2HG       ARG  17  -2.964 -10.983   3.746
  122   2HG   ARG  17          1HG       ARG  17  -3.630 -12.603   3.520
  123   1HD   ARG  17          2HD       ARG  17  -5.023 -10.211   4.710
  124   2HD   ARG  17          1HD       ARG  17  -5.373 -10.987   3.168
  125    HE   ARG  17           HE       ARG  17  -5.928 -12.123   5.825
  126   1HH1  ARG  17          2HH1      ARG  17  -6.388 -12.084   2.372
  127   2HH1  ARG  17          1HH1      ARG  17  -7.701 -13.212   2.402
  128   1HH2  ARG  17          1HH2      ARG  17  -7.659 -13.608   5.877
  129   2HH2  ARG  17          2HH2      ARG  17  -8.424 -14.078   4.397
  130    H    ASP  18           H        ASP  18  -0.876 -11.968   7.968
  131    HA   ASP  18           HA       ASP  18   1.523 -10.926   7.652
  132   1HB   ASP  18          2HB       ASP  18   0.583 -13.453   8.510
  133   2HB   ASP  18          1HB       ASP  18   1.973 -13.753   7.473
  134    H    LYS  19           H        LYS  19   3.333 -11.099   6.348
  135    HA   LYS  19           HA       LYS  19   2.953 -11.023   3.606
  136   1HB   LYS  19          2HB       LYS  19   5.587 -11.742   3.807
  137   2HB   LYS  19          1HB       LYS  19   4.972 -10.103   3.973
  138   1HG   LYS  19          2HG       LYS  19   6.547 -10.823   5.767
  139   2HG   LYS  19          1HG       LYS  19   4.979 -10.252   6.344
  140   1HD   LYS  19          2HD       LYS  19   4.349 -12.307   7.085
  141   2HD   LYS  19          1HD       LYS  19   5.237 -13.155   5.817
  142   1HE   LYS  19          2HE       LYS  19   7.330 -12.742   6.965
  143   2HE   LYS  19          1HE       LYS  19   6.498 -11.790   8.193
  144   1HZ   LYS  19          1HZ       LYS  19   7.072 -14.261   8.645
  145   2HZ   LYS  19          2HZ       LYS  19   5.687 -14.579   7.727
  146   3HZ   LYS  19          3HZ       LYS  19   5.571 -13.650   9.137
  147    H    SER  20           H        SER  20   3.501 -13.748   5.691
  148    HA   SER  20           HA       SER  20   3.755 -15.523   3.360
  149   1HB   SER  20          2HB       SER  20   5.205 -15.441   5.731
  150   2HB   SER  20          1HB       SER  20   4.102 -16.797   5.957
  151    HG   SER  20           HG       SER  20   5.113 -17.884   4.448
  152    H    GLU  21           H        GLU  21   1.293 -14.257   4.645
  153    HA   GLU  21           HA       GLU  21  -0.247 -16.161   5.952
  154   1HB   GLU  21          2HB       GLU  21  -1.294 -14.145   6.020
  155   2HB   GLU  21          1HB       GLU  21  -0.795 -13.706   4.392
  156   1HG   GLU  21          2HG       GLU  21  -2.849 -14.139   3.715
  157   2HG   GLU  21          1HG       GLU  21  -2.562 -15.840   4.074
  158    H    ARG  22           H        ARG  22  -0.805 -18.098   5.326
  159    HA   ARG  22           HA       ARG  22  -0.637 -19.014   2.650
  160   1HB   ARG  22          2HB       ARG  22  -1.169 -20.130   5.266
  161   2HB   ARG  22          1HB       ARG  22  -2.250 -20.812   4.062
  162   1HG   ARG  22          2HG       ARG  22   0.397 -20.734   3.001
  163   2HG   ARG  22          1HG       ARG  22   0.424 -21.500   4.589
  164   1HD   ARG  22          2HD       ARG  22  -1.267 -23.076   3.908
  165   2HD   ARG  22          1HD       ARG  22  -1.462 -22.255   2.361
  166    HE   ARG  22           HE       ARG  22   1.167 -23.350   2.992
  167   1HH1  ARG  22          2HH1      ARG  22  -1.825 -23.604   1.228
  168   2HH1  ARG  22          1HH1      ARG  22  -1.197 -24.735   0.073
  169   1HH2  ARG  22          1HH2      ARG  22   2.003 -24.838   1.477
  170   2HH2  ARG  22          2HH2      ARG  22   0.977 -25.435   0.216
  171    H    ASN  23           H        ASN  23  -2.884 -17.074   4.084
  172    HA   ASN  23           HA       ASN  23  -4.913 -17.816   2.090
  173   1HB   ASN  23          2HB       ASN  23  -5.601 -18.642   4.336
  174   2HB   ASN  23          1HB       ASN  23  -5.527 -16.989   4.936
  175   1HD2  ASN  23          1HD2      ASN  23  -7.343 -19.308   3.204
  176   2HD2  ASN  23          2HD2      ASN  23  -8.727 -18.322   2.887
  177    H    CYS  24           H        CYS  24  -3.273 -15.965   1.332
  178    HA   CYS  24           HA       CYS  24  -4.647 -13.415   1.865
  179   1HB   CYS  24          2HB       CYS  24  -2.371 -13.480   2.847
  180   2HB   CYS  24          1HB       CYS  24  -1.712 -13.783   1.243
  181    H    LYS  25           H        LYS  25  -5.748 -12.785   0.142
  182    HA   LYS  25           HA       LYS  25  -5.037 -13.730  -2.508
  183   1HB   LYS  25          2HB       LYS  25  -7.336 -12.113  -1.419
  184   2HB   LYS  25          1HB       LYS  25  -7.098 -12.341  -3.146
  185   1HG   LYS  25          2HG       LYS  25  -8.166 -14.272  -3.031
  186   2HG   LYS  25          1HG       LYS  25  -6.935 -14.886  -1.925
  187   1HD   LYS  25          2HD       LYS  25  -8.167 -14.319  -0.039
  188   2HD   LYS  25          1HD       LYS  25  -9.145 -13.139  -0.915
  189   1HE   LYS  25          2HE       LYS  25 -10.149 -15.462  -0.238
  190   2HE   LYS  25          1HE       LYS  25 -10.531 -14.738  -1.800
  191   1HZ   LYS  25          1HZ       LYS  25  -8.161 -16.348  -1.869
  192   2HZ   LYS  25          2HZ       LYS  25  -9.523 -16.392  -2.870
  193   3HZ   LYS  25          3HZ       LYS  25  -9.526 -17.232  -1.402
  194    HA   PRO  26           HA       PRO  26  -2.115 -10.248  -2.818
  195   1HB   PRO  26          2HB       PRO  26  -2.479 -11.292  -5.605
  196   2HB   PRO  26          1HB       PRO  26  -1.002 -10.763  -4.791
  197   1HG   PRO  26          2HG       PRO  26  -1.601 -13.363  -5.029
  198   2HG   PRO  26          1HG       PRO  26  -0.801 -12.722  -3.582
  199   1HD   PRO  26          2HD       PRO  26  -3.558 -13.714  -3.917
  200   2HD   PRO  26          1HD       PRO  26  -2.588 -13.550  -2.440
  201    H    MET  27           H        MET  27  -3.458  -8.495  -2.447
  202    HA   MET  27           HA       MET  27  -5.230  -7.661  -4.636
  203   1HB   MET  27          2HB       MET  27  -5.488  -7.612  -1.811
  204   2HB   MET  27          1HB       MET  27  -5.402  -5.941  -2.350
  205   1HG   MET  27          2HG       MET  27  -7.620  -7.643  -2.372
  206   2HG   MET  27          1HG       MET  27  -7.500  -6.011  -3.027
  207   1HE   MET  27          1HE       MET  27  -9.185  -9.016  -5.319
  208   2HE   MET  27          2HE       MET  27  -9.663  -7.353  -4.979
  209   3HE   MET  27          3HE       MET  27  -9.287  -8.451  -3.650
  210    H    ALA  28           H        ALA  28  -4.095  -6.519  -6.090
  211    HA   ALA  28           HA       ALA  28  -1.831  -4.943  -5.501
  212   1HB   ALA  28          1HB       ALA  28  -1.810  -4.361  -7.767
  213   2HB   ALA  28          2HB       ALA  28  -3.556  -4.556  -7.925
  214   3HB   ALA  28          3HB       ALA  28  -2.523  -5.974  -7.736
  215    H    TRP  29           H        TRP  29  -2.018  -2.557  -6.639
  216    HA   TRP  29           HA       TRP  29  -2.403  -0.418  -5.936
  217   1HB   TRP  29          2HB       TRP  29  -5.209  -1.337  -6.571
  218   2HB   TRP  29          1HB       TRP  29  -4.623   0.321  -6.580
  219    HD1  TRP  29           HD1      TRP  29  -5.518  -2.113  -8.990
  220    HE1  TRP  29          1HE       TRP  29  -4.209  -1.865 -11.192
  221    HE3  TRP  29          3HE       TRP  29  -1.716   0.866  -7.333
  222    HZ2  TRP  29          2HZ       TRP  29  -1.867  -0.574 -12.106
  223    HZ3  TRP  29          3HZ       TRP  29   0.023   1.563  -8.929
  224    HH2  TRP  29           HH2      TRP  29  -0.053   0.857 -11.267
  225    H    THR  30           H        THR  30  -1.826  -0.969  -3.693
  226    HA   THR  30           HA       THR  30  -3.179   0.289  -1.784
  227    HB   THR  30           HB       THR  30  -5.224  -0.816  -2.032
  228    HG1  THR  30          1HG       THR  30  -4.351  -0.848   0.165
  229   1HG2  THR  30          1HG2      THR  30  -5.074  -3.479  -1.725
  230   2HG2  THR  30          2HG2      THR  30  -3.588  -3.182  -2.624
  231   3HG2  THR  30          3HG2      THR  30  -5.139  -2.669  -3.290
  232    H    TYR  31           H        TYR  31  -2.370  -0.010   0.306
  233    HA   TYR  31           HA       TYR  31  -0.348  -2.133   0.584
  234   1HB   TYR  31          2HB       TYR  31   1.122  -0.601   1.730
  235   2HB   TYR  31          1HB       TYR  31   0.670   0.112   0.185
  236    HD1  TYR  31          1HD       TYR  31  -0.667   2.114   0.084
  237    HD2  TYR  31          2HD       TYR  31   0.248   0.313   3.828
  238    HE1  TYR  31          1HE       TYR  31  -1.422   4.150   1.242
  239    HE2  TYR  31          2HE       TYR  31  -0.505   2.342   4.996
  240    HH   TYR  31           HH       TYR  31  -0.695   5.117   3.924
  241    H    CYS  32           H        CYS  32   0.345  -2.258   3.021
  242    HA   CYS  32           HA       CYS  32  -2.148  -2.510   4.550
  243   1HB   CYS  32          2HB       CYS  32  -0.675  -4.528   4.166
  244   2HB   CYS  32          1HB       CYS  32   0.530  -3.755   5.190
  245    H    GLU  33           H        GLU  33  -1.637  -2.413   7.051
  246    HA   GLU  33           HA       GLU  33  -0.718   0.292   7.531
  247   1HB   GLU  33          2HB       GLU  33  -2.727  -1.226   8.610
  248   2HB   GLU  33          1HB       GLU  33  -1.489  -1.333   9.854
  249   1HG   GLU  33          2HG       GLU  33  -1.868   1.375   8.863
  250   2HG   GLU  33          1HG       GLU  33  -3.330   0.680   9.565
  251    H    ASN  34           H        ASN  34   0.360  -2.971   8.082
  252    HA   ASN  34           HA       ASN  34   2.651  -1.960   9.629
  253   1HB   ASN  34          2HB       ASN  34   1.036  -3.890  10.442
  254   2HB   ASN  34          1HB       ASN  34   2.056  -4.880   9.403
  255   1HD2  ASN  34          1HD2      ASN  34   1.783  -3.239  12.378
  256   2HD2  ASN  34          2HD2      ASN  34   3.344  -3.633  13.003
  257    H    ARG  35           H        ARG  35   4.758  -2.616   9.084
  258    HA   ARG  35           HA       ARG  35   5.165  -2.985   6.260
  259   1HB   ARG  35          2HB       ARG  35   6.685  -2.030   8.512
  260   2HB   ARG  35          1HB       ARG  35   7.623  -3.211   7.613
  261   1HG   ARG  35          2HG       ARG  35   6.754  -1.754   5.563
  262   2HG   ARG  35          1HG       ARG  35   6.702  -0.516   6.819
  263   1HD   ARG  35          2HD       ARG  35   9.143  -2.174   6.709
  264   2HD   ARG  35          1HD       ARG  35   8.893  -1.064   5.363
  265    HE   ARG  35           HE       ARG  35   9.253  -0.324   8.178
  266   1HH1  ARG  35          2HH1      ARG  35   8.951   0.578   4.828
  267   2HH1  ARG  35          1HH1      ARG  35   9.500   2.203   5.080
  268   1HH2  ARG  35          1HH2      ARG  35   9.977   1.814   8.522
  269   2HH2  ARG  35          2HH2      ARG  35  10.083   2.903   7.181
  270    H    ASN  36           H        ASN  36   4.103  -5.151   8.186
  271    HA   ASN  36           HA       ASN  36   5.830  -7.288   7.141
  272   1HB   ASN  36          2HB       ASN  36   6.069  -6.696   9.685
  273   2HB   ASN  36          1HB       ASN  36   4.548  -7.570   9.836
  274   1HD2  ASN  36          1HD2      ASN  36   6.674  -8.530   7.329
  275   2HD2  ASN  36          2HD2      ASN  36   7.267  -9.970   8.076
  276    H    GLN  37           H        GLN  37   2.861  -5.918   7.212
  277    HA   GLN  37           HA       GLN  37   1.465  -8.478   6.805
  278   1HB   GLN  37          2HB       GLN  37   0.820  -6.396   8.512
  279   2HB   GLN  37          1HB       GLN  37  -0.233  -6.126   7.130
  280   1HG   GLN  37          2HG       GLN  37  -0.977  -8.497   7.331
  281   2HG   GLN  37          1HG       GLN  37  -0.043  -8.604   8.822
  282   1HE2  GLN  37          1HE2      GLN  37  -2.579  -9.176   9.101
  283   2HE2  GLN  37          2HE2      GLN  37  -3.468  -7.888   9.835
  284    H    LYS  38           H        LYS  38   0.232  -8.775   4.974
  285    HA   LYS  38           HA       LYS  38   0.733  -6.862   2.812
  286   1HB   LYS  38          2HB       LYS  38  -0.359  -9.653   2.517
  287   2HB   LYS  38          1HB       LYS  38   0.384  -8.646   1.286
  288   1HG   LYS  38          2HG       LYS  38   2.513  -8.784   2.639
  289   2HG   LYS  38          1HG       LYS  38   1.714 -10.044   3.583
  290   1HD   LYS  38          2HD       LYS  38   2.211 -10.086   0.607
  291   2HD   LYS  38          1HD       LYS  38   3.081 -11.025   1.822
  292   1HE   LYS  38          2HE       LYS  38   1.177 -12.328   2.319
  293   2HE   LYS  38          1HE       LYS  38   0.104 -11.225   1.458
  294   1HZ   LYS  38          1HZ       LYS  38   0.776 -12.017  -0.577
  295   2HZ   LYS  38          2HZ       LYS  38   0.823 -13.430   0.352
  296   3HZ   LYS  38          3HZ       LYS  38   2.256 -12.602  -0.001
  297    H    CYS  39           H        CYS  39  -1.031  -6.662   1.168
  298    HA   CYS  39           HA       CYS  39  -3.635  -6.437   2.527
  299   1HB   CYS  39          2HB       CYS  39  -2.682  -4.275   1.873
  300   2HB   CYS  39          1HB       CYS  39  -2.551  -4.827   0.207
  301    H    CYS  40           H        CYS  40  -4.892  -8.065   1.963
  302    HA   CYS  40           HA       CYS  40  -4.948  -8.896  -0.853
  303   1HB   CYS  40          2HB       CYS  40  -4.958 -10.426   1.695
  304   2HB   CYS  40          1HB       CYS  40  -5.928 -11.048   0.372
  305    H    GLU  41           H        GLU  41  -7.133 -10.261  -1.149
  306    HA   GLU  41           HA       GLU  41  -9.216  -8.466  -1.287
  307   1HB   GLU  41          2HB       GLU  41  -8.828 -11.065  -2.073
  308   2HB   GLU  41          1HB       GLU  41 -10.095 -11.236  -0.867
  309   1HG   GLU  41          2HG       GLU  41 -10.614  -9.042  -2.684
  310   2HG   GLU  41          1HG       GLU  41 -10.424 -10.579  -3.528
  311    H    TYR  42           HN       TYR  42  -9.925 -11.297   0.643
  312    HA   TYR  42           HA       TYR  42 -10.517  -9.592   2.958
  313   1HB   TYR  42          2HB       TYR  42 -12.672  -9.782   2.121
  314   2HB   TYR  42          1HB       TYR  42 -12.390 -11.397   1.484
  315    HD1  TYR  42          1HD       TYR  42 -11.852 -10.042   4.917
  316    HD2  TYR  42          2HD       TYR  42 -14.009 -12.756   2.450
  317    HE1  TYR  42          1HE       TYR  42 -12.911 -11.005   6.915
  318    HE2  TYR  42          2HE       TYR  42 -15.076 -13.726   4.441
  319    HH   TYR  42           HH       TYR  42 -15.543 -12.620   7.003
  Start of MODEL    7
    1   1H    ILE   1          1H        ILE   1   5.648  12.746  -9.070
    2   2H    ILE   1          2H        ILE   1   6.016  13.963 -10.224
    3   3H    ILE   1          3H        ILE   1   7.108  12.665  -9.963
    4    HA   ILE   1           HA       ILE   1   4.481  12.647 -11.254
    5    HB   ILE   1           HB       ILE   1   6.432  13.125 -12.655
    6   1HG1  ILE   1          2HG1      ILE   1   5.936  10.370 -13.526
    7   2HG1  ILE   1          1HG1      ILE   1   4.468  11.256 -13.125
    8   1HG2  ILE   1          1HG2      ILE   1   8.270  12.188 -11.601
    9   2HG2  ILE   1          2HG2      ILE   1   8.035  11.124 -12.987
   10   3HG2  ILE   1          3HG2      ILE   1   7.479  10.626 -11.389
   11   1HD1  ILE   1          1HD1      ILE   1   4.963  12.942 -14.729
   12   2HD1  ILE   1          2HD1      ILE   1   5.138  11.372 -15.514
   13   3HD1  ILE   1          3HD1      ILE   1   6.571  12.273 -15.015
   14    H    MET   2           H        MET   2   4.590  11.416  -8.765
   15    HA   MET   2           HA       MET   2   3.664   9.446  -7.974
   16   1HB   MET   2          2HB       MET   2   4.428   8.500 -10.719
   17   2HB   MET   2          1HB       MET   2   3.968   7.347  -9.473
   18   1HG   MET   2          2HG       MET   2   1.975   9.254  -9.375
   19   2HG   MET   2          1HG       MET   2   2.322   9.093 -11.096
   20   1HE   MET   2          1HE       MET   2   2.763   5.138 -10.521
   21   2HE   MET   2          2HE       MET   2   3.451   6.550 -11.326
   22   3HE   MET   2          3HE       MET   2   2.062   5.721 -12.030
   23    H    PHE   3           H        PHE   3   4.522   7.679  -6.802
   24    HA   PHE   3           HA       PHE   3   7.371   7.124  -7.083
   25   1HB   PHE   3          2HB       PHE   3   6.450   7.661  -4.307
   26   2HB   PHE   3          1HB       PHE   3   8.038   7.896  -5.032
   27    HD1  PHE   3          1HD       PHE   3   4.790   9.381  -4.354
   28    HD2  PHE   3          2HD       PHE   3   8.534   9.921  -6.304
   29    HE1  PHE   3          1HE       PHE   3   4.325  11.787  -4.571
   30    HE2  PHE   3          2HE       PHE   3   8.076  12.328  -6.525
   31    HZ   PHE   3           HZ       PHE   3   5.969  13.265  -5.658
   32    H    PHE   4           H        PHE   4   5.350   6.516  -4.269
   33    HA   PHE   4           HA       PHE   4   4.939   3.742  -5.078
   34   1HB   PHE   4          2HB       PHE   4   6.976   4.535  -3.252
   35   2HB   PHE   4          1HB       PHE   4   5.726   3.704  -2.334
   36    HD1  PHE   4          1HD       PHE   4   5.818   1.414  -2.171
   37    HD2  PHE   4          2HD       PHE   4   7.692   3.329  -5.477
   38    HE1  PHE   4          1HE       PHE   4   6.709  -0.754  -2.917
   39    HE2  PHE   4          2HE       PHE   4   8.585   1.163  -6.231
   40    HZ   PHE   4           HZ       PHE   4   8.095  -0.881  -4.951
   41    H    GLU   5           H        GLU   5   4.404   3.322  -2.068
   42    HA   GLU   5           HA       GLU   5   2.501   3.140  -0.820
   43   1HB   GLU   5          2HB       GLU   5   3.281   5.457  -0.310
   44   2HB   GLU   5          1HB       GLU   5   2.196   6.055  -1.557
   45   1HG   GLU   5          2HG       GLU   5   1.455   6.101   0.918
   46   2HG   GLU   5          1HG       GLU   5   0.308   5.605  -0.325
   47    H    MET   6           H        MET   6   1.087   1.810  -1.823
   48    HA   MET   6           HA       MET   6  -0.341   2.456  -4.179
   49   1HB   MET   6          2HB       MET   6  -0.774   0.340  -2.071
   50   2HB   MET   6          1HB       MET   6  -1.757   0.459  -3.523
   51   1HG   MET   6          2HG       MET   6  -0.134  -0.357  -4.855
   52   2HG   MET   6          1HG       MET   6   1.161   0.403  -3.934
   53   1HE   MET   6          1HE       MET   6   1.891  -2.909  -4.685
   54   2HE   MET   6          2HE       MET   6   0.354  -2.357  -5.350
   55   3HE   MET   6          3HE       MET   6   0.403  -3.768  -4.294
   56    H    GLN   7           H        GLN   7  -2.568   1.215  -2.011
   57    HA   GLN   7           HA       GLN   7  -3.685   3.815  -1.288
   58   1HB   GLN   7          2HB       GLN   7  -4.975   1.797  -3.092
   59   2HB   GLN   7          1HB       GLN   7  -5.972   2.811  -2.060
   60   1HG   GLN   7          2HG       GLN   7  -4.485   4.722  -3.132
   61   2HG   GLN   7          1HG       GLN   7  -4.337   3.530  -4.422
   62   1HE2  GLN   7          1HE2      GLN   7  -6.662   2.394  -4.701
   63   2HE2  GLN   7          2HE2      GLN   7  -7.924   3.532  -5.020
   64    H    ALA   8           H        ALA   8  -4.367   3.792   0.749
   65    HA   ALA   8           HA       ALA   8  -4.046   1.995   2.644
   66   1HB   ALA   8          1HB       ALA   8  -5.283   3.356   3.894
   67   2HB   ALA   8          2HB       ALA   8  -6.741   2.990   2.974
   68   3HB   ALA   8          3HB       ALA   8  -5.641   4.251   2.419
   69    H    CYS   9           H        CYS   9  -4.433  -0.099   2.867
   70    HA   CYS   9           HA       CYS   9  -5.848  -1.760   1.274
   71   1HB   CYS   9          2HB       CYS   9  -4.390  -2.321   3.315
   72   2HB   CYS   9          1HB       CYS   9  -5.867  -2.172   4.258
   73    H    TRP  10           H        TRP  10  -7.141   0.368   3.704
   74    HA   TRP  10           HA       TRP  10  -9.739  -0.809   3.827
   75   1HB   TRP  10          2HB       TRP  10  -9.948   1.898   4.540
   76   2HB   TRP  10          1HB       TRP  10  -9.776   0.530   5.624
   77    HD1  TRP  10           HD1      TRP  10  -7.031  -0.172   6.075
   78    HE1  TRP  10          1HE       TRP  10  -5.087   1.460   6.522
   79    HE3  TRP  10          3HE       TRP  10  -9.111   4.052   4.172
   80    HZ2  TRP  10          2HZ       TRP  10  -4.521   4.208   6.106
   81    HZ3  TRP  10          3HZ       TRP  10  -7.822   6.154   4.221
   82    HH2  TRP  10           HH2      TRP  10  -5.570   6.226   5.172
   83    H    SER  11           H        SER  11  -8.298   1.865   2.025
   84    HA   SER  11           HA       SER  11 -10.477   3.063   0.903
   85   1HB   SER  11          2HB       SER  11  -8.351   3.981   0.407
   86   2HB   SER  11          1HB       SER  11  -7.765   2.462  -0.271
   87    HG   SER  11           HG       SER  11  -8.332   3.379  -2.085
   88    H    HIS  12           H        HIS  12  -9.078  -0.043   0.054
   89    HA   HIS  12           HA       HIS  12 -11.174  -0.394  -1.983
   90   1HB   HIS  12          2HB       HIS  12  -8.388  -1.443  -1.734
   91   2HB   HIS  12          1HB       HIS  12  -9.584  -2.421  -2.576
   92    HD1  HIS  12          1HD       HIS  12 -11.052   0.110  -3.875
   93    HD2  HIS  12          2HD       HIS  12  -6.993  -0.765  -4.037
   94    HE1  HIS  12          1HE       HIS  12 -10.185   1.313  -5.908
   95    HE2  HIS  12          2HE       HIS  12  -7.745   0.698  -6.032
   96    H    SER  13           H        SER  13 -11.418  -0.750   0.955
   97    HA   SER  13           HA       SER  13 -12.089  -2.299   2.515
   98   1HB   SER  13          2HB       SER  13 -14.173  -1.969   1.428
   99   2HB   SER  13          1HB       SER  13 -13.690  -2.947   0.043
  100    HG   SER  13           HG       SER  13 -14.421  -4.621   1.057
  101    H    GLY  14           H        GLY  14  -9.897  -3.279   2.495
  102   1HA   GLY  14          2HA       GLY  14 -10.057  -6.076   1.555
  103   2HA   GLY  14          1HA       GLY  14  -8.576  -5.139   1.425
  104    H    VAL  15           H        VAL  15  -7.576  -6.853   2.658
  105    HA   VAL  15           HA       VAL  15  -7.890  -6.400   5.535
  106    HB   VAL  15           HB       VAL  15  -7.732  -9.153   4.298
  107   1HG1  VAL  15          1HG1      VAL  15  -8.314  -9.643   6.841
  108   2HG1  VAL  15          2HG1      VAL  15  -7.435  -8.131   7.068
  109   3HG1  VAL  15          3HG1      VAL  15  -6.651  -9.496   6.273
  110   1HG2  VAL  15          1HG2      VAL  15  -9.980  -9.444   5.332
  111   2HG2  VAL  15          2HG2      VAL  15  -9.944  -8.270   4.016
  112   3HG2  VAL  15          3HG2      VAL  15  -9.988  -7.717   5.688
  113    H    CYS  16           H        CYS  16  -6.046  -7.671   6.718
  114    HA   CYS  16           HA       CYS  16  -3.575  -7.597   5.143
  115   1HB   CYS  16          2HB       CYS  16  -4.198  -6.001   7.603
  116   2HB   CYS  16          1HB       CYS  16  -2.544  -6.509   7.286
  117    H    ARG  17           H        ARG  17  -2.621  -9.498   5.346
  118    HA   ARG  17           HA       ARG  17  -2.718 -10.855   7.960
  119   1HB   ARG  17          2HB       ARG  17  -2.375 -12.780   5.889
  120   2HB   ARG  17          1HB       ARG  17  -3.698 -12.632   7.037
  121   1HG   ARG  17          2HG       ARG  17  -3.771 -10.793   4.735
  122   2HG   ARG  17          1HG       ARG  17  -4.014 -12.504   4.380
  123   1HD   ARG  17          2HD       ARG  17  -5.533 -11.831   6.692
  124   2HD   ARG  17          1HD       ARG  17  -5.868 -10.640   5.437
  125    HE   ARG  17           HE       ARG  17  -6.157 -12.857   4.042
  126   1HH1  ARG  17          2HH1      ARG  17  -7.240 -12.138   7.272
  127   2HH1  ARG  17          1HH1      ARG  17  -8.618 -13.184   7.182
  128   1HH2  ARG  17          1HH2      ARG  17  -7.967 -14.237   3.913
  129   2HH2  ARG  17          2HH2      ARG  17  -9.031 -14.378   5.271
  130    H    ASP  18           H        ASP  18  -0.928 -12.346   8.352
  131    HA   ASP  18           HA       ASP  18   1.539 -11.331   8.263
  132   1HB   ASP  18          2HB       ASP  18   0.994 -14.268   7.784
  133   2HB   ASP  18          1HB       ASP  18   2.455 -13.572   8.479
  134    H    LYS  19           H        LYS  19   3.129 -10.941   6.853
  135    HA   LYS  19           HA       LYS  19   2.708 -10.779   4.132
  136   1HB   LYS  19          2HB       LYS  19   5.060 -10.366   3.895
  137   2HB   LYS  19          1HB       LYS  19   4.531  -9.646   5.410
  138   1HG   LYS  19          2HG       LYS  19   5.840 -12.347   5.222
  139   2HG   LYS  19          1HG       LYS  19   6.721 -10.846   5.506
  140   1HD   LYS  19          2HD       LYS  19   5.428 -10.455   7.536
  141   2HD   LYS  19          1HD       LYS  19   4.508 -11.933   7.245
  142   1HE   LYS  19          2HE       LYS  19   7.155 -12.749   7.132
  143   2HE   LYS  19          1HE       LYS  19   7.127 -11.576   8.447
  144   1HZ   LYS  19          1HZ       LYS  19   5.662 -12.845   9.665
  145   2HZ   LYS  19          2HZ       LYS  19   6.603 -14.044   8.930
  146   3HZ   LYS  19          3HZ       LYS  19   5.070 -13.679   8.316
  147    H    SER  20           H        SER  20   3.271 -13.569   5.966
  148    HA   SER  20           HA       SER  20   3.994 -15.093   3.547
  149   1HB   SER  20          2HB       SER  20   5.290 -15.035   6.007
  150   2HB   SER  20          1HB       SER  20   4.353 -16.527   6.055
  151    HG   SER  20           HG       SER  20   5.374 -17.212   4.201
  152    H    GLU  21           H        GLU  21   1.331 -14.241   4.714
  153    HA   GLU  21           HA       GLU  21  -0.023 -16.428   5.773
  154   1HB   GLU  21          2HB       GLU  21  -0.696 -13.887   5.396
  155   2HB   GLU  21          1HB       GLU  21  -1.477 -14.557   3.973
  156   1HG   GLU  21          2HG       GLU  21  -2.083 -16.166   6.261
  157   2HG   GLU  21          1HG       GLU  21  -2.442 -14.475   6.605
  158    H    ARG  22           H        ARG  22  -1.425 -17.872   4.856
  159    HA   ARG  22           HA       ARG  22  -0.702 -18.721   2.161
  160   1HB   ARG  22          2HB       ARG  22  -1.609 -20.043   4.631
  161   2HB   ARG  22          1HB       ARG  22  -2.279 -20.700   3.149
  162   1HG   ARG  22          2HG       ARG  22   0.501 -20.314   2.759
  163   2HG   ARG  22          1HG       ARG  22   0.266 -21.150   4.295
  164   1HD   ARG  22          2HD       ARG  22  -0.195 -22.075   1.548
  165   2HD   ARG  22          1HD       ARG  22   0.193 -22.991   3.003
  166    HE   ARG  22           HE       ARG  22  -2.448 -22.358   1.989
  167   1HH1  ARG  22          2HH1      ARG  22  -0.528 -23.525   4.649
  168   2HH1  ARG  22          1HH1      ARG  22  -1.850 -24.341   5.414
  169   1HH2  ARG  22          1HH2      ARG  22  -4.197 -23.429   2.987
  170   2HH2  ARG  22          2HH2      ARG  22  -3.936 -24.287   4.471
  171    H    ASN  23           H        ASN  23  -3.179 -17.131   3.811
  172    HA   ASN  23           HA       ASN  23  -4.985 -17.504   1.521
  173   1HB   ASN  23          2HB       ASN  23  -5.581 -18.705   3.811
  174   2HB   ASN  23          1HB       ASN  23  -6.164 -17.098   4.237
  175   1HD2  ASN  23          1HD2      ASN  23  -6.216 -18.243   0.962
  176   2HD2  ASN  23          2HD2      ASN  23  -7.929 -18.435   0.840
  177    H    CYS  24           H        CYS  24  -3.459 -15.447   1.284
  178    HA   CYS  24           HA       CYS  24  -5.071 -13.154   2.183
  179   1HB   CYS  24          2HB       CYS  24  -2.934 -13.268   3.433
  180   2HB   CYS  24          1HB       CYS  24  -2.057 -13.205   1.909
  181    H    LYS  25           H        LYS  25  -6.091 -13.622   0.049
  182    HA   LYS  25           HA       LYS  25  -5.020 -13.593  -2.420
  183   1HB   LYS  25          2HB       LYS  25  -7.057 -11.978  -2.972
  184   2HB   LYS  25          1HB       LYS  25  -7.304 -13.662  -2.530
  185   1HG   LYS  25          2HG       LYS  25  -7.320 -11.509  -0.450
  186   2HG   LYS  25          1HG       LYS  25  -8.757 -11.868  -1.410
  187   1HD   LYS  25          2HD       LYS  25  -7.235 -13.914   0.201
  188   2HD   LYS  25          1HD       LYS  25  -8.667 -13.061   0.778
  189   1HE   LYS  25          2HE       LYS  25  -8.417 -15.135  -1.354
  190   2HE   LYS  25          1HE       LYS  25  -9.576 -15.021  -0.031
  191   1HZ   LYS  25          1HZ       LYS  25  -9.619 -12.958  -2.116
  192   2HZ   LYS  25          2HZ       LYS  25 -10.890 -13.571  -1.181
  193   3HZ   LYS  25          3HZ       LYS  25 -10.276 -14.478  -2.471
  194    HA   PRO  26           HA       PRO  26  -2.467  -9.859  -2.114
  195   1HB   PRO  26          2HB       PRO  26  -1.330 -10.296  -4.595
  196   2HB   PRO  26          1HB       PRO  26  -0.711 -10.943  -3.073
  197   1HG   PRO  26          2HG       PRO  26  -2.411 -12.265  -5.144
  198   2HG   PRO  26          1HG       PRO  26  -1.068 -12.934  -4.200
  199   1HD   PRO  26          2HD       PRO  26  -3.622 -13.478  -3.586
  200   2HD   PRO  26          1HD       PRO  26  -2.388 -13.270  -2.324
  201    H    MET  27           H        MET  27  -3.782  -8.133  -2.369
  202    HA   MET  27           HA       MET  27  -5.109  -7.726  -4.949
  203   1HB   MET  27          2HB       MET  27  -5.601  -6.819  -2.171
  204   2HB   MET  27          1HB       MET  27  -5.996  -5.673  -3.444
  205   1HG   MET  27          2HG       MET  27  -7.056  -8.479  -3.198
  206   2HG   MET  27          1HG       MET  27  -7.930  -6.997  -2.814
  207   1HE   MET  27          1HE       MET  27  -9.214  -5.464  -5.311
  208   2HE   MET  27          2HE       MET  27  -9.569  -6.475  -3.909
  209   3HE   MET  27          3HE       MET  27 -10.063  -6.996  -5.520
  210    H    ALA  28           H        ALA  28  -4.842  -5.832  -6.149
  211    HA   ALA  28           HA       ALA  28  -2.254  -4.561  -5.806
  212   1HB   ALA  28          1HB       ALA  28  -4.171  -4.914  -8.021
  213   2HB   ALA  28          2HB       ALA  28  -2.409  -4.986  -8.020
  214   3HB   ALA  28          3HB       ALA  28  -3.228  -3.425  -8.036
  215    H    TRP  29           H        TRP  29  -2.301  -2.135  -6.578
  216    HA   TRP  29           HA       TRP  29  -2.593  -0.042  -5.688
  217   1HB   TRP  29          2HB       TRP  29  -5.515  -0.405  -6.159
  218   2HB   TRP  29          1HB       TRP  29  -4.459   0.928  -6.618
  219    HD1  TRP  29           HD1      TRP  29  -6.393  -1.571  -8.258
  220    HE1  TRP  29          1HE       TRP  29  -5.429  -2.216 -10.556
  221    HE3  TRP  29          3HE       TRP  29  -1.696   0.370  -7.736
  222    HZ2  TRP  29          2HZ       TRP  29  -2.993  -1.941 -11.961
  223    HZ3  TRP  29          3HZ       TRP  29  -0.107   0.136  -9.603
  224    HH2  TRP  29           HH2      TRP  29  -0.745  -0.997 -11.668
  225    H    THR  30           H        THR  30  -2.094  -0.907  -3.503
  226    HA   THR  30           HA       THR  30  -3.565   0.231  -1.522
  227    HB   THR  30           HB       THR  30  -5.486  -1.023  -1.720
  228    HG1  THR  30          1HG       THR  30  -4.215  -1.459   0.352
  229   1HG2  THR  30          1HG2      THR  30  -5.637  -2.795  -3.024
  230   2HG2  THR  30          2HG2      THR  30  -4.683  -3.741  -1.881
  231   3HG2  THR  30          3HG2      THR  30  -3.878  -2.835  -3.161
  232    H    TYR  31           H        TYR  31  -2.641  -0.042   0.499
  233    HA   TYR  31           HA       TYR  31  -0.461  -2.020   0.659
  234   1HB   TYR  31          2HB       TYR  31   0.967  -0.437   1.711
  235   2HB   TYR  31          1HB       TYR  31   0.296   0.375   0.300
  236    HD1  TYR  31          1HD       TYR  31  -2.145   1.507   0.966
  237    HD2  TYR  31          2HD       TYR  31   1.191   0.931   3.543
  238    HE1  TYR  31          1HE       TYR  31  -2.940   3.341   2.397
  239    HE2  TYR  31          2HE       TYR  31   0.404   2.763   4.981
  240    HH   TYR  31           HH       TYR  31  -1.388   5.019   4.270
  241    H    CYS  32           H        CYS  32   0.278  -2.307   3.004
  242    HA   CYS  32           HA       CYS  32  -2.126  -2.653   4.646
  243   1HB   CYS  32          2HB       CYS  32   0.385  -4.156   4.295
  244   2HB   CYS  32          1HB       CYS  32  -0.181  -4.036   5.956
  245    H    GLU  33           H        GLU  33  -1.531  -2.647   7.110
  246    HA   GLU  33           HA       GLU  33  -0.608   0.025   7.685
  247   1HB   GLU  33          2HB       GLU  33  -2.020  -2.125   9.165
  248   2HB   GLU  33          1HB       GLU  33  -1.065  -1.003  10.127
  249   1HG   GLU  33          2HG       GLU  33  -2.835   0.225   8.125
  250   2HG   GLU  33          1HG       GLU  33  -3.637  -0.608   9.455
  251    H    ASN  34           H        ASN  34   0.495  -3.273   8.218
  252    HA   ASN  34           HA       ASN  34   2.906  -2.267   9.551
  253   1HB   ASN  34          2HB       ASN  34   1.408  -4.268  10.382
  254   2HB   ASN  34          1HB       ASN  34   2.334  -5.184   9.196
  255   1HD2  ASN  34          1HD2      ASN  34   2.253  -3.985  12.325
  256   2HD2  ASN  34          2HD2      ASN  34   3.894  -4.299  12.763
  257    H    ARG  35           H        ARG  35   4.953  -2.624   8.748
  258    HA   ARG  35           HA       ARG  35   5.169  -2.886   5.913
  259   1HB   ARG  35          2HB       ARG  35   6.803  -1.960   8.062
  260   2HB   ARG  35          1HB       ARG  35   7.724  -3.138   7.138
  261   1HG   ARG  35          2HG       ARG  35   6.360  -1.339   5.366
  262   2HG   ARG  35          1HG       ARG  35   7.316  -0.439   6.544
  263   1HD   ARG  35          2HD       ARG  35   8.218  -1.738   4.223
  264   2HD   ARG  35          1HD       ARG  35   9.189  -0.953   5.468
  265    HE   ARG  35           HE       ARG  35   8.787  -3.788   5.099
  266   1HH1  ARG  35          2HH1      ARG  35   9.764  -1.254   7.281
  267   2HH1  ARG  35          1HH1      ARG  35  10.708  -2.306   8.283
  268   1HH2  ARG  35          1HH2      ARG  35  10.029  -5.179   6.412
  269   2HH2  ARG  35          2HH2      ARG  35  10.861  -4.536   7.789
  270    H    ASN  36           H        ASN  36   4.372  -5.214   7.831
  271    HA   ASN  36           HA       ASN  36   6.016  -7.216   6.446
  272   1HB   ASN  36          2HB       ASN  36   6.490  -6.723   9.018
  273   2HB   ASN  36          1HB       ASN  36   5.106  -7.792   9.227
  274   1HD2  ASN  36          1HD2      ASN  36   7.369  -8.044   6.583
  275   2HD2  ASN  36          2HD2      ASN  36   8.080  -9.539   7.077
  276    H    GLN  37           H        GLN  37   3.077  -5.961   6.785
  277    HA   GLN  37           HA       GLN  37   1.683  -8.546   6.572
  278   1HB   GLN  37          2HB       GLN  37   1.160  -6.424   8.264
  279   2HB   GLN  37          1HB       GLN  37  -0.002  -6.195   6.966
  280   1HG   GLN  37          2HG       GLN  37  -0.708  -8.567   7.289
  281   2HG   GLN  37          1HG       GLN  37   0.336  -8.619   8.709
  282   1HE2  GLN  37          1HE2      GLN  37  -1.745  -9.169   9.734
  283   2HE2  GLN  37          2HE2      GLN  37  -2.751  -7.876  10.283
  284    H    LYS  38           H        LYS  38   0.359  -8.939   4.839
  285    HA   LYS  38           HA       LYS  38   0.619  -7.075   2.594
  286   1HB   LYS  38          2HB       LYS  38  -0.638  -9.687   2.105
  287   2HB   LYS  38          1HB       LYS  38   0.641  -8.868   1.218
  288   1HG   LYS  38          2HG       LYS  38   2.160 -10.183   2.135
  289   2HG   LYS  38          1HG       LYS  38   1.652  -9.694   3.753
  290   1HD   LYS  38          2HD       LYS  38   1.065 -11.847   3.997
  291   2HD   LYS  38          1HD       LYS  38  -0.347 -11.406   3.035
  292   1HE   LYS  38          2HE       LYS  38   1.906 -11.984   1.338
  293   2HE   LYS  38          1HE       LYS  38   1.595 -13.329   2.433
  294   1HZ   LYS  38          1HZ       LYS  38   0.320 -12.956   0.115
  295   2HZ   LYS  38          2HZ       LYS  38  -0.756 -12.199   1.178
  296   3HZ   LYS  38          3HZ       LYS  38  -0.330 -13.816   1.419
  297    H    CYS  39           H        CYS  39  -1.221  -6.615   1.252
  298    HA   CYS  39           HA       CYS  39  -3.731  -6.616   2.783
  299   1HB   CYS  39          2HB       CYS  39  -2.997  -4.388   2.272
  300   2HB   CYS  39          1HB       CYS  39  -2.748  -4.804   0.580
  301    H    CYS  40           H        CYS  40  -4.905  -8.311   2.215
  302    HA   CYS  40           HA       CYS  40  -5.018  -9.145  -0.580
  303   1HB   CYS  40          2HB       CYS  40  -6.530 -10.910   0.956
  304   2HB   CYS  40          1HB       CYS  40  -4.889 -11.160   0.374
  305    H    GLU  41           H        GLU  41  -7.318 -10.192  -1.038
  306    HA   GLU  41           HA       GLU  41  -9.122  -8.055  -1.313
  307   1HB   GLU  41          2HB       GLU  41  -8.949 -10.815  -2.121
  308   2HB   GLU  41          1HB       GLU  41 -10.577 -10.452  -1.566
  309   1HG   GLU  41          2HG       GLU  41  -9.053  -9.016  -3.723
  310   2HG   GLU  41          1HG       GLU  41 -10.419 -10.110  -3.940
  311    H    TYR  42           HN       TYR  42  -9.514 -11.042   0.599
  312    HA   TYR  42           HA       TYR  42 -10.945  -9.490   2.629
  313   1HB   TYR  42          2HB       TYR  42 -12.572 -10.593   1.050
  314   2HB   TYR  42          1HB       TYR  42 -11.954 -12.141   1.613
  315    HD1  TYR  42          1HD       TYR  42 -12.945  -8.968   3.329
  316    HD2  TYR  42          2HD       TYR  42 -13.464 -13.179   3.010
  317    HE1  TYR  42          1HE       TYR  42 -14.532  -8.909   5.206
  318    HE2  TYR  42          2HE       TYR  42 -15.052 -13.132   4.886
  319    HH   TYR  42           HH       TYR  42 -15.425 -10.433   6.912
  Start of MODEL    8
    1   1H    ILE   1          1H        ILE   1   5.899   8.409  -9.482
    2   2H    ILE   1          2H        ILE   1   6.935   8.062 -10.805
    3   3H    ILE   1          3H        ILE   1   7.006   9.594 -10.036
    4    HA   ILE   1           HA       ILE   1   8.086   7.038  -9.244
    5    HB   ILE   1           HB       ILE   1   9.433   8.978 -10.089
    6   1HG1  ILE   1          2HG1      ILE   1  10.251   8.456  -7.257
    7   2HG1  ILE   1          1HG1      ILE   1  10.150   7.103  -8.379
    8   1HG2  ILE   1          1HG2      ILE   1   8.446  10.206  -7.529
    9   2HG2  ILE   1          2HG2      ILE   1   8.318  10.844  -9.168
   10   3HG2  ILE   1          3HG2      ILE   1   9.889  10.773  -8.371
   11   1HD1  ILE   1          1HD1      ILE   1  11.632   9.447  -9.350
   12   2HD1  ILE   1          2HD1      ILE   1  11.994   7.728  -9.494
   13   3HD1  ILE   1          3HD1      ILE   1  12.357   8.581  -7.995
   14    H    MET   2           H        MET   2   7.910   6.175  -7.276
   15    HA   MET   2           HA       MET   2   7.578   7.582  -4.881
   16   1HB   MET   2          2HB       MET   2   5.074   6.256  -4.885
   17   2HB   MET   2          1HB       MET   2   5.388   7.981  -4.750
   18   1HG   MET   2          2HG       MET   2   3.811   7.304  -6.569
   19   2HG   MET   2          1HG       MET   2   5.170   8.302  -7.076
   20   1HE   MET   2          1HE       MET   2   3.860   5.566  -9.718
   21   2HE   MET   2          2HE       MET   2   3.072   6.555  -8.487
   22   3HE   MET   2          3HE       MET   2   3.332   4.834  -8.202
   23    H    PHE   3           H        PHE   3   7.140   6.129  -3.028
   24    HA   PHE   3           HA       PHE   3   7.840   3.340  -3.675
   25   1HB   PHE   3          2HB       PHE   3   8.655   4.838  -1.180
   26   2HB   PHE   3          1HB       PHE   3   9.187   3.238  -1.683
   27    HD1  PHE   3          1HD       PHE   3  10.415   6.307  -1.241
   28    HD2  PHE   3          2HD       PHE   3   9.967   3.492  -4.403
   29    HE1  PHE   3          1HE       PHE   3  12.329   7.317  -2.408
   30    HE2  PHE   3          2HE       PHE   3  11.881   4.499  -5.575
   31    HZ   PHE   3           HZ       PHE   3  13.067   6.413  -4.577
   32    H    PHE   4           H        PHE   4   7.316   4.315  -0.406
   33    HA   PHE   4           HA       PHE   4   5.053   2.526  -0.215
   34   1HB   PHE   4          2HB       PHE   4   5.358   3.789   2.253
   35   2HB   PHE   4          1HB       PHE   4   5.994   2.213   1.793
   36    HD1  PHE   4          1HD       PHE   4   8.325   2.004   1.011
   37    HD2  PHE   4          2HD       PHE   4   6.775   5.669   2.518
   38    HE1  PHE   4          1HE       PHE   4  10.620   2.843   1.322
   39    HE2  PHE   4          2HE       PHE   4   9.062   6.515   2.829
   40    HZ   PHE   4           HZ       PHE   4  10.989   5.103   2.230
   41    H    GLU   5           H        GLU   5   3.311   3.451  -1.208
   42    HA   GLU   5           HA       GLU   5   1.628   5.113   0.183
   43   1HB   GLU   5          2HB       GLU   5   3.747   6.619  -0.915
   44   2HB   GLU   5          1HB       GLU   5   2.331   6.971  -1.897
   45   1HG   GLU   5          2HG       GLU   5   1.130   7.801  -0.067
   46   2HG   GLU   5          1HG       GLU   5   2.251   7.095   1.096
   47    H    MET   6           H        MET   6   1.190   2.897  -1.241
   48    HA   MET   6           HA       MET   6   0.398   3.312  -3.929
   49   1HB   MET   6          2HB       MET   6   0.329   1.149  -1.987
   50   2HB   MET   6          1HB       MET   6  -1.124   1.185  -2.977
   51   1HG   MET   6          2HG       MET   6   1.323   1.523  -4.518
   52   2HG   MET   6          1HG       MET   6   1.250  -0.005  -3.642
   53   1HE   MET   6          1HE       MET   6  -0.774   2.039  -6.701
   54   2HE   MET   6          2HE       MET   6  -0.151   0.669  -7.618
   55   3HE   MET   6          3HE       MET   6   0.931   1.607  -6.590
   56    H    GLN   7           H        GLN   7  -2.064   1.950  -1.925
   57    HA   GLN   7           HA       GLN   7  -3.679   4.370  -1.955
   58   1HB   GLN   7          2HB       GLN   7  -4.797   1.868  -3.202
   59   2HB   GLN   7          1HB       GLN   7  -5.464   3.495  -3.236
   60   1HG   GLN   7          2HG       GLN   7  -3.672   4.229  -4.690
   61   2HG   GLN   7          1HG       GLN   7  -2.932   2.630  -4.613
   62   1HE2  GLN   7          1HE2      GLN   7  -6.109   4.060  -5.314
   63   2HE2  GLN   7          2HE2      GLN   7  -6.428   3.087  -6.703
   64    H    ALA   8           H        ALA   8  -5.142   4.448  -0.320
   65    HA   ALA   8           HA       ALA   8  -4.877   2.932   1.938
   66   1HB   ALA   8          1HB       ALA   8  -7.059   4.650   0.881
   67   2HB   ALA   8          2HB       ALA   8  -6.089   4.822   2.344
   68   3HB   ALA   8          3HB       ALA   8  -7.401   3.645   2.291
   69    H    CYS   9           H        CYS   9  -5.260   0.881   2.411
   70    HA   CYS   9           HA       CYS   9  -6.667  -0.838   0.613
   71   1HB   CYS   9          2HB       CYS   9  -4.719  -1.190   2.517
   72   2HB   CYS   9          1HB       CYS   9  -6.132  -1.888   3.297
   73    H    TRP  10           H        TRP  10  -7.671   1.210   3.073
   74    HA   TRP  10           HA       TRP  10  -9.879  -0.389   4.017
   75   1HB   TRP  10          2HB       TRP  10 -10.370   2.248   4.743
   76   2HB   TRP  10          1HB       TRP  10  -9.576   1.033   5.731
   77    HD1  TRP  10           HD1      TRP  10  -6.742   0.960   5.324
   78    HE1  TRP  10          1HE       TRP  10  -5.166   2.989   5.105
   79    HE3  TRP  10          3HE       TRP  10 -10.180   4.477   4.074
   80    HZ2  TRP  10          2HZ       TRP  10  -5.377   5.745   4.475
   81    HZ3  TRP  10          3HZ       TRP  10  -9.437   6.797   3.673
   82    HH2  TRP  10           HH2      TRP  10  -7.081   7.415   3.872
   83    H    SER  11           H        SER  11  -9.468   2.489   1.977
   84    HA   SER  11           HA       SER  11 -12.162   2.939   1.397
   85   1HB   SER  11          2HB       SER  11  -9.801   4.156   0.719
   86   2HB   SER  11          1HB       SER  11 -10.315   3.483  -0.826
   87    HG   SER  11           HG       SER  11 -11.106   5.681  -0.123
   88    H    HIS  12           H        HIS  12 -10.030   0.472   0.334
   89    HA   HIS  12           HA       HIS  12 -11.794  -0.259  -1.891
   90   1HB   HIS  12          2HB       HIS  12  -9.048  -1.254  -1.104
   91   2HB   HIS  12          1HB       HIS  12  -9.983  -1.903  -2.445
   92    HD1  HIS  12          1HD       HIS  12 -10.958   0.611  -3.811
   93    HD2  HIS  12          2HD       HIS  12  -7.103   0.188  -2.318
   94    HE1  HIS  12          1HE       HIS  12  -9.560   2.268  -5.085
   95    HE2  HIS  12          2HE       HIS  12  -7.245   2.045  -4.113
   96    H    SER  13           H        SER  13 -11.117  -1.038   1.345
   97    HA   SER  13           HA       SER  13 -12.074  -2.548   2.763
   98   1HB   SER  13          2HB       SER  13 -14.184  -2.352   1.667
   99   2HB   SER  13          1HB       SER  13 -13.622  -3.274   0.273
  100    HG   SER  13           HG       SER  13 -14.605  -4.149   2.674
  101    H    GLY  14           H        GLY  14  -9.841  -3.359   2.771
  102   1HA   GLY  14          2HA       GLY  14  -9.714  -6.075   1.619
  103   2HA   GLY  14          1HA       GLY  14  -8.319  -5.008   1.641
  104    H    VAL  15           H        VAL  15  -7.304  -6.829   2.767
  105    HA   VAL  15           HA       VAL  15  -7.708  -6.567   5.657
  106    HB   VAL  15           HB       VAL  15  -7.519  -9.210   4.206
  107   1HG1  VAL  15          1HG1      VAL  15  -6.186  -9.085   6.323
  108   2HG1  VAL  15          2HG1      VAL  15  -7.477 -10.285   6.336
  109   3HG1  VAL  15          3HG1      VAL  15  -7.692  -8.752   7.179
  110   1HG2  VAL  15          1HG2      VAL  15  -9.747  -8.839   4.106
  111   2HG2  VAL  15          2HG2      VAL  15  -9.721  -7.670   5.428
  112   3HG2  VAL  15          3HG2      VAL  15  -9.693  -9.399   5.778
  113    H    CYS  16           H        CYS  16  -5.870  -7.646   6.876
  114    HA   CYS  16           HA       CYS  16  -3.356  -7.576   5.364
  115   1HB   CYS  16          2HB       CYS  16  -4.022  -6.010   7.848
  116   2HB   CYS  16          1HB       CYS  16  -2.359  -6.396   7.418
  117    H    ARG  17           H        ARG  17  -2.421  -9.488   5.615
  118    HA   ARG  17           HA       ARG  17  -2.500 -10.750   8.272
  119   1HB   ARG  17          2HB       ARG  17  -2.270 -12.884   6.574
  120   2HB   ARG  17          1HB       ARG  17  -3.764 -12.354   7.335
  121   1HG   ARG  17          2HG       ARG  17  -3.562 -10.768   5.074
  122   2HG   ARG  17          1HG       ARG  17  -3.009 -12.359   4.546
  123   1HD   ARG  17          2HD       ARG  17  -5.639 -11.519   4.814
  124   2HD   ARG  17          1HD       ARG  17  -5.080 -13.178   4.595
  125    HE   ARG  17           HE       ARG  17  -4.887 -12.857   7.256
  126   1HH1  ARG  17          2HH1      ARG  17  -7.452 -12.188   5.000
  127   2HH1  ARG  17          1HH1      ARG  17  -8.716 -12.470   6.152
  128   1HH2  ARG  17          1HH2      ARG  17  -6.539 -13.231   8.782
  129   2HH2  ARG  17          2HH2      ARG  17  -8.196 -13.064   8.303
  130    H    ASP  18           H        ASP  18  -0.891 -12.922   7.729
  131    HA   ASP  18           HA       ASP  18   1.688 -11.751   7.855
  132   1HB   ASP  18          2HB       ASP  18   1.894 -14.547   7.346
  133   2HB   ASP  18          1HB       ASP  18   2.130 -13.694   8.867
  134    H    LYS  19           H        LYS  19   3.235 -11.537   6.352
  135    HA   LYS  19           HA       LYS  19   2.596 -11.492   3.633
  136   1HB   LYS  19          2HB       LYS  19   4.852 -10.919   3.235
  137   2HB   LYS  19          1HB       LYS  19   4.479 -10.264   4.823
  138   1HG   LYS  19          2HG       LYS  19   6.307 -12.455   4.052
  139   2HG   LYS  19          1HG       LYS  19   6.480 -11.211   5.292
  140   1HD   LYS  19          2HD       LYS  19   4.508 -12.519   6.430
  141   2HD   LYS  19          1HD       LYS  19   5.087 -13.846   5.422
  142   1HE   LYS  19          2HE       LYS  19   7.402 -12.818   6.506
  143   2HE   LYS  19          1HE       LYS  19   6.243 -12.680   7.828
  144   1HZ   LYS  19          1HZ       LYS  19   5.688 -15.113   7.179
  145   2HZ   LYS  19          2HZ       LYS  19   7.058 -14.790   8.120
  146   3HZ   LYS  19          3HZ       LYS  19   7.223 -15.094   6.465
  147    H    SER  20           H        SER  20   2.410 -14.141   5.224
  148    HA   SER  20           HA       SER  20   3.419 -15.797   3.032
  149   1HB   SER  20          2HB       SER  20   4.851 -15.680   5.327
  150   2HB   SER  20          1HB       SER  20   3.723 -16.974   5.731
  151    HG   SER  20           HG       SER  20   5.816 -16.949   3.952
  152    H    GLU  21           H        GLU  21   0.826 -14.798   4.547
  153    HA   GLU  21           HA       GLU  21  -0.671 -16.684   5.660
  154   1HB   GLU  21          2HB       GLU  21  -1.304 -14.330   4.722
  155   2HB   GLU  21          1HB       GLU  21  -1.881 -15.240   3.335
  156   1HG   GLU  21          2HG       GLU  21  -2.909 -16.557   5.563
  157   2HG   GLU  21          1HG       GLU  21  -3.099 -14.837   5.904
  158    H    ARG  22           H        ARG  22  -1.979 -18.346   5.065
  159    HA   ARG  22           HA       ARG  22  -1.015 -19.929   2.848
  160   1HB   ARG  22          2HB       ARG  22  -2.420 -20.400   5.363
  161   2HB   ARG  22          1HB       ARG  22  -3.054 -21.353   4.034
  162   1HG   ARG  22          2HG       ARG  22  -0.161 -21.378   4.103
  163   2HG   ARG  22          1HG       ARG  22  -0.873 -21.960   5.608
  164   1HD   ARG  22          2HD       ARG  22  -0.670 -23.277   3.071
  165   2HD   ARG  22          1HD       ARG  22  -1.223 -23.919   4.617
  166    HE   ARG  22           HE       ARG  22  -3.382 -22.579   3.785
  167   1HH1  ARG  22          2HH1      ARG  22  -1.295 -24.833   2.145
  168   2HH1  ARG  22          1HH1      ARG  22  -2.544 -25.433   1.105
  169   1HH2  ARG  22          1HH2      ARG  22  -5.034 -23.359   2.421
  170   2HH2  ARG  22          2HH2      ARG  22  -4.669 -24.594   1.260
  171    H    ASN  23           H        ASN  23  -3.625 -17.841   3.491
  172    HA   ASN  23           HA       ASN  23  -4.848 -18.582   0.938
  173   1HB   ASN  23          2HB       ASN  23  -6.060 -19.684   2.907
  174   2HB   ASN  23          1HB       ASN  23  -6.572 -18.059   3.355
  175   1HD2  ASN  23          1HD2      ASN  23  -7.089 -20.729   1.308
  176   2HD2  ASN  23          2HD2      ASN  23  -8.393 -20.069   0.386
  177    H    CYS  24           H        CYS  24  -3.190 -16.429   1.367
  178    HA   CYS  24           HA       CYS  24  -4.940 -14.108   1.695
  179   1HB   CYS  24          2HB       CYS  24  -2.766 -14.158   2.898
  180   2HB   CYS  24          1HB       CYS  24  -1.937 -14.201   1.346
  181    H    LYS  25           H        LYS  25  -5.903 -13.330  -0.044
  182    HA   LYS  25           HA       LYS  25  -4.906 -13.914  -2.696
  183   1HB   LYS  25          2HB       LYS  25  -7.117 -12.007  -2.500
  184   2HB   LYS  25          1HB       LYS  25  -7.013 -13.520  -3.389
  185   1HG   LYS  25          2HG       LYS  25  -8.398 -14.418  -1.917
  186   2HG   LYS  25          1HG       LYS  25  -7.152 -14.231  -0.682
  187   1HD   LYS  25          2HD       LYS  25  -8.103 -11.745  -0.666
  188   2HD   LYS  25          1HD       LYS  25  -9.553 -12.576  -1.231
  189   1HE   LYS  25          2HE       LYS  25  -8.038 -13.546   1.168
  190   2HE   LYS  25          1HE       LYS  25  -9.231 -12.255   1.304
  191   1HZ   LYS  25          1HZ       LYS  25  -9.620 -15.094   0.720
  192   2HZ   LYS  25          2HZ       LYS  25 -10.678 -13.996  -0.007
  193   3HZ   LYS  25          3HZ       LYS  25 -10.545 -14.053   1.677
  194    HA   PRO  26           HA       PRO  26  -2.135 -10.346  -2.539
  195   1HB   PRO  26          2HB       PRO  26  -2.374 -10.974  -5.458
  196   2HB   PRO  26          1HB       PRO  26  -0.935 -10.577  -4.510
  197   1HG   PRO  26          2HG       PRO  26  -1.483 -13.103  -5.178
  198   2HG   PRO  26          1HG       PRO  26  -0.783 -12.700  -3.600
  199   1HD   PRO  26          2HD       PRO  26  -3.529 -13.576  -4.276
  200   2HD   PRO  26          1HD       PRO  26  -2.627 -13.754  -2.758
  201    H    MET  27           H        MET  27  -3.290  -8.538  -2.087
  202    HA   MET  27           HA       MET  27  -5.205  -7.566  -4.089
  203   1HB   MET  27          2HB       MET  27  -6.155  -7.757  -1.884
  204   2HB   MET  27          1HB       MET  27  -4.820  -6.854  -1.179
  205   1HG   MET  27          2HG       MET  27  -5.524  -4.854  -2.367
  206   2HG   MET  27          1HG       MET  27  -6.839  -5.753  -3.121
  207   1HE   MET  27          1HE       MET  27  -8.960  -6.641  -1.847
  208   2HE   MET  27          2HE       MET  27  -9.065  -4.961  -2.381
  209   3HE   MET  27          3HE       MET  27  -9.665  -5.419  -0.787
  210    H    ALA  28           H        ALA  28  -3.483  -6.841  -5.489
  211    HA   ALA  28           HA       ALA  28  -1.461  -5.069  -4.819
  212   1HB   ALA  28          1HB       ALA  28  -2.678  -6.051  -7.230
  213   2HB   ALA  28          2HB       ALA  28  -1.033  -5.475  -6.963
  214   3HB   ALA  28          3HB       ALA  28  -2.308  -4.333  -7.388
  215    H    TRP  29           H        TRP  29  -1.649  -2.791  -6.254
  216    HA   TRP  29           HA       TRP  29  -2.173  -0.612  -5.823
  217   1HB   TRP  29          2HB       TRP  29  -4.991  -1.564  -6.273
  218   2HB   TRP  29          1HB       TRP  29  -4.262  -0.034  -6.741
  219    HD1  TRP  29           HD1      TRP  29  -5.401  -3.025  -8.329
  220    HE1  TRP  29          1HE       TRP  29  -4.187  -3.473 -10.555
  221    HE3  TRP  29          3HE       TRP  29  -1.434   0.135  -7.729
  222    HZ2  TRP  29          2HZ       TRP  29  -1.849  -2.597 -11.881
  223    HZ3  TRP  29          3HZ       TRP  29   0.249   0.273  -9.520
  224    HH2  TRP  29           HH2      TRP  29   0.045  -1.068 -11.552
  225    H    THR  30           H        THR  30  -1.615  -0.900  -3.519
  226    HA   THR  30           HA       THR  30  -3.155   0.470  -1.794
  227    HB   THR  30           HB       THR  30  -5.025  -0.850  -1.708
  228    HG1  THR  30          1HG       THR  30  -3.660  -0.933   0.374
  229   1HG2  THR  30          1HG2      THR  30  -4.415  -3.515  -1.448
  230   2HG2  THR  30          2HG2      THR  30  -3.266  -2.945  -2.658
  231   3HG2  THR  30          3HG2      THR  30  -4.998  -2.713  -2.907
  232    H    TYR  31           H        TYR  31  -2.499   0.341   0.442
  233    HA   TYR  31           HA       TYR  31  -0.172  -1.372   0.949
  234   1HB   TYR  31          2HB       TYR  31   1.147   0.428   1.780
  235   2HB   TYR  31          1HB       TYR  31   0.524   0.951   0.220
  236    HD1  TYR  31          1HD       TYR  31   1.580   2.911   2.098
  237    HD2  TYR  31          2HD       TYR  31  -2.335   1.271   1.816
  238    HE1  TYR  31          1HE       TYR  31   0.663   4.938   3.145
  239    HE2  TYR  31          2HE       TYR  31  -3.264   3.294   2.862
  240    HH   TYR  31           HH       TYR  31  -1.234   5.733   4.269
  241    H    CYS  32           H        CYS  32   0.241  -1.801   3.169
  242    HA   CYS  32           HA       CYS  32  -2.153  -1.493   4.830
  243   1HB   CYS  32          2HB       CYS  32  -1.171  -3.779   4.361
  244   2HB   CYS  32          1HB       CYS  32   0.207  -3.303   5.347
  245    H    GLU  33           H        GLU  33  -1.489  -1.580   7.305
  246    HA   GLU  33           HA       GLU  33  -0.109   0.896   7.794
  247   1HB   GLU  33          2HB       GLU  33  -1.114  -1.043   9.874
  248   2HB   GLU  33          1HB       GLU  33  -0.853   0.689  10.047
  249   1HG   GLU  33          2HG       GLU  33  -3.149   0.520   9.876
  250   2HG   GLU  33          1HG       GLU  33  -2.661   0.922   8.230
  251    H    ASN  34           H        ASN  34   0.499  -2.530   8.340
  252    HA   ASN  34           HA       ASN  34   3.043  -1.945   9.640
  253   1HB   ASN  34          2HB       ASN  34   1.500  -3.755  10.476
  254   2HB   ASN  34          1HB       ASN  34   1.858  -4.652   9.002
  255   1HD2  ASN  34          1HD2      ASN  34   3.795  -2.786  11.320
  256   2HD2  ASN  34          2HD2      ASN  34   4.951  -4.037  11.619
  257    H    ARG  35           H        ARG  35   5.021  -2.309   8.759
  258    HA   ARG  35           HA       ARG  35   5.142  -2.568   5.884
  259   1HB   ARG  35          2HB       ARG  35   6.772  -1.426   7.929
  260   2HB   ARG  35          1HB       ARG  35   7.742  -2.592   7.039
  261   1HG   ARG  35          2HG       ARG  35   6.102  -0.573   5.574
  262   2HG   ARG  35          1HG       ARG  35   7.667  -0.130   6.258
  263   1HD   ARG  35          2HD       ARG  35   7.347  -2.543   4.504
  264   2HD   ARG  35          1HD       ARG  35   7.593  -0.936   3.821
  265    HE   ARG  35           HE       ARG  35   9.540  -2.563   5.198
  266   1HH1  ARG  35          2HH1      ARG  35   8.667   0.632   4.124
  267   2HH1  ARG  35          1HH1      ARG  35  10.295   1.223   4.138
  268   1HH2  ARG  35          1HH2      ARG  35  11.689  -1.795   5.219
  269   2HH2  ARG  35          2HH2      ARG  35  12.013  -0.157   4.760
  270    H    ASN  36           H        ASN  36   4.513  -4.844   7.885
  271    HA   ASN  36           HA       ASN  36   6.320  -6.791   6.623
  272   1HB   ASN  36          2HB       ASN  36   6.673  -6.193   9.181
  273   2HB   ASN  36          1HB       ASN  36   5.323  -7.304   9.393
  274   1HD2  ASN  36          1HD2      ASN  36   8.237  -7.186   7.365
  275   2HD2  ASN  36          2HD2      ASN  36   8.771  -8.784   7.745
  276    H    GLN  37           H        GLN  37   3.184  -5.788   7.329
  277    HA   GLN  37           HA       GLN  37   2.051  -8.461   6.915
  278   1HB   GLN  37          2HB       GLN  37   1.340  -6.483   8.669
  279   2HB   GLN  37          1HB       GLN  37   0.199  -6.224   7.357
  280   1HG   GLN  37          2HG       GLN  37  -0.352  -8.680   7.515
  281   2HG   GLN  37          1HG       GLN  37   0.588  -8.703   9.005
  282   1HE2  GLN  37          1HE2      GLN  37  -1.610  -9.453   9.731
  283   2HE2  GLN  37          2HE2      GLN  37  -2.704  -8.237  10.286
  284    H    LYS  38           H        LYS  38   0.575  -8.882   5.259
  285    HA   LYS  38           HA       LYS  38   0.803  -7.070   2.968
  286   1HB   LYS  38          2HB       LYS  38  -0.266  -9.880   2.886
  287   2HB   LYS  38          1HB       LYS  38   0.413  -8.930   1.574
  288   1HG   LYS  38          2HG       LYS  38   2.598  -9.007   2.917
  289   2HG   LYS  38          1HG       LYS  38   1.827 -10.316   3.815
  290   1HD   LYS  38          2HD       LYS  38   1.906 -10.358   0.822
  291   2HD   LYS  38          1HD       LYS  38   3.300 -10.893   1.764
  292   1HE   LYS  38          2HE       LYS  38   2.316 -12.823   2.299
  293   2HE   LYS  38          1HE       LYS  38   0.810 -12.021   2.742
  294   1HZ   LYS  38          1HZ       LYS  38   0.304 -11.894   0.328
  295   2HZ   LYS  38          2HZ       LYS  38   0.369 -13.473   0.931
  296   3HZ   LYS  38          3HZ       LYS  38   1.659 -12.859   0.027
  297    H    CYS  39           H        CYS  39  -1.113  -6.965   1.506
  298    HA   CYS  39           HA       CYS  39  -3.624  -6.961   3.040
  299   1HB   CYS  39          2HB       CYS  39  -2.378  -4.716   2.147
  300   2HB   CYS  39          1HB       CYS  39  -3.438  -5.067   0.790
  301    H    CYS  40           H        CYS  40  -4.963  -8.405   2.286
  302    HA   CYS  40           HA       CYS  40  -4.864  -9.110  -0.565
  303   1HB   CYS  40          2HB       CYS  40  -5.264 -10.664   1.921
  304   2HB   CYS  40          1HB       CYS  40  -6.251 -11.135   0.548
  305    H    GLU  41           H        GLU  41  -7.109 -10.182  -1.192
  306    HA   GLU  41           HA       GLU  41  -8.969  -8.125  -1.408
  307   1HB   GLU  41          2HB       GLU  41  -8.720 -10.797  -2.319
  308   2HB   GLU  41          1HB       GLU  41 -10.312 -10.650  -1.589
  309   1HG   GLU  41          2HG       GLU  41  -9.254  -8.745  -3.661
  310   2HG   GLU  41          1HG       GLU  41 -10.206 -10.181  -4.042
  311    H    TYR  42           HN       TYR  42  -9.440 -11.132   0.453
  312    HA   TYR  42           HA       TYR  42 -10.759  -9.573   2.549
  313   1HB   TYR  42          2HB       TYR  42 -12.318 -10.757   0.732
  314   2HB   TYR  42          1HB       TYR  42 -12.052 -12.138   1.789
  315    HD1  TYR  42          1HD       TYR  42 -13.085 -12.265   3.940
  316    HD2  TYR  42          2HD       TYR  42 -13.442  -8.728   1.601
  317    HE1  TYR  42          1HE       TYR  42 -14.841 -11.447   5.455
  318    HE2  TYR  42          2HE       TYR  42 -15.199  -7.899   3.110
  319    HH   TYR  42           HH       TYR  42 -16.793  -8.724   4.709
  Start of MODEL    9
    1   1H    ILE   1          1H        ILE   1   4.953  10.616 -10.953
    2   2H    ILE   1          2H        ILE   1   5.637  12.127 -11.397
    3   3H    ILE   1          3H        ILE   1   4.137  11.629 -12.069
    4    HA   ILE   1           HA       ILE   1   4.223  13.317 -10.162
    5    HB   ILE   1           HB       ILE   1   2.209  12.224 -11.228
    6   1HG1  ILE   1          2HG1      ILE   1   0.739  13.039  -9.580
    7   2HG1  ILE   1          1HG1      ILE   1   1.816  12.580  -8.266
    8   1HG2  ILE   1          1HG2      ILE   1   1.273  10.542  -9.300
    9   2HG2  ILE   1          2HG2      ILE   1   2.987  10.129  -9.339
   10   3HG2  ILE   1          3HG2      ILE   1   2.022  10.030 -10.813
   11   1HD1  ILE   1          1HD1      ILE   1   2.957  14.525 -10.125
   12   2HD1  ILE   1          2HD1      ILE   1   2.937  14.508  -8.363
   13   3HD1  ILE   1          3HD1      ILE   1   1.531  15.092  -9.255
   14    H    MET   2           H        MET   2   5.949  10.661  -9.669
   15    HA   MET   2           HA       MET   2   6.431   9.317  -7.807
   16   1HB   MET   2          2HB       MET   2   7.026  12.104  -6.806
   17   2HB   MET   2          1HB       MET   2   7.825  10.617  -6.321
   18   1HG   MET   2          2HG       MET   2   7.935  11.050  -9.186
   19   2HG   MET   2          1HG       MET   2   8.667  12.367  -8.270
   20   1HE   MET   2          1HE       MET   2  11.369  11.584  -9.337
   21   2HE   MET   2          2HE       MET   2  10.081  10.863 -10.300
   22   3HE   MET   2          3HE       MET   2  11.419   9.866  -9.731
   23    H    PHE   3           H        PHE   3   4.465   8.491  -7.055
   24    HA   PHE   3           HA       PHE   3   3.371   9.901  -4.709
   25   1HB   PHE   3          2HB       PHE   3   1.904   9.659  -6.865
   26   2HB   PHE   3          1HB       PHE   3   1.703   7.998  -6.317
   27    HD1  PHE   3          1HD       PHE   3   1.789  11.277  -4.537
   28    HD2  PHE   3          2HD       PHE   3  -0.381   7.719  -5.400
   29    HE1  PHE   3          1HE       PHE   3   0.000  12.003  -3.011
   30    HE2  PHE   3          2HE       PHE   3  -2.174   8.438  -3.877
   31    HZ   PHE   3           HZ       PHE   3  -1.986  10.582  -2.681
   32    H    PHE   4           H        PHE   4   5.522   7.932  -4.850
   33    HA   PHE   4           HA       PHE   4   5.214   5.372  -4.369
   34   1HB   PHE   4          2HB       PHE   4   6.737   7.424  -2.858
   35   2HB   PHE   4          1HB       PHE   4   6.598   5.836  -2.113
   36    HD1  PHE   4          1HD       PHE   4   9.176   6.097  -2.399
   37    HD2  PHE   4          2HD       PHE   4   6.446   5.536  -5.615
   38    HE1  PHE   4          1HE       PHE   4  11.016   5.277  -3.812
   39    HE2  PHE   4          2HE       PHE   4   8.280   4.714  -7.033
   40    HZ   PHE   4           HZ       PHE   4  10.569   4.582  -6.132
   41    H    GLU   5           H        GLU   5   3.065   4.821  -3.882
   42    HA   GLU   5           HA       GLU   5   2.486   4.089  -1.302
   43   1HB   GLU   5          2HB       GLU   5   2.397   6.448  -0.710
   44   2HB   GLU   5          1HB       GLU   5   1.231   6.753  -1.990
   45   1HG   GLU   5          2HG       GLU   5  -0.460   5.544  -0.868
   46   2HG   GLU   5          1HG       GLU   5   0.692   4.870   0.284
   47    H    MET   6           H        MET   6   1.150   2.456  -1.639
   48    HA   MET   6           HA       MET   6  -0.366   2.175  -4.022
   49   1HB   MET   6          2HB       MET   6  -0.344   0.607  -1.443
   50   2HB   MET   6          1HB       MET   6  -1.312   0.152  -2.838
   51   1HG   MET   6          2HG       MET   6   0.930   0.224  -4.118
   52   2HG   MET   6          1HG       MET   6   1.656   0.135  -2.515
   53   1HE   MET   6          1HE       MET   6   1.357  -3.420  -4.718
   54   2HE   MET   6          2HE       MET   6   2.502  -2.113  -4.419
   55   3HE   MET   6          3HE       MET   6   1.073  -1.823  -5.411
   56    H    GLN   7           H        GLN   7  -2.362   0.987  -1.695
   57    HA   GLN   7           HA       GLN   7  -3.928   3.410  -1.309
   58   1HB   GLN   7          2HB       GLN   7  -4.659   1.215  -3.148
   59   2HB   GLN   7          1HB       GLN   7  -5.936   1.753  -2.067
   60   1HG   GLN   7          2HG       GLN   7  -4.467   3.904  -3.415
   61   2HG   GLN   7          1HG       GLN   7  -5.398   2.848  -4.476
   62   1HE2  GLN   7          1HE2      GLN   7  -5.514   5.594  -2.676
   63   2HE2  GLN   7          2HE2      GLN   7  -7.222   5.722  -2.452
   64    H    ALA   8           H        ALA   8  -3.928   3.328   0.868
   65    HA   ALA   8           HA       ALA   8  -3.683   1.525   2.723
   66   1HB   ALA   8          1HB       ALA   8  -6.102   2.630   3.571
   67   2HB   ALA   8          2HB       ALA   8  -5.365   3.851   2.536
   68   3HB   ALA   8          3HB       ALA   8  -4.477   3.218   3.920
   69    H    CYS   9           H        CYS   9  -4.115  -0.592   2.565
   70    HA   CYS   9           HA       CYS   9  -5.888  -2.045   1.259
   71   1HB   CYS   9          2HB       CYS   9  -4.263  -2.814   3.086
   72   2HB   CYS   9          1HB       CYS   9  -5.586  -2.551   4.215
   73    H    TRP  10           H        TRP  10  -6.699   0.098   3.871
   74    HA   TRP  10           HA       TRP  10  -9.382  -0.856   4.219
   75   1HB   TRP  10          2HB       TRP  10  -9.246   1.763   5.188
   76   2HB   TRP  10          1HB       TRP  10  -9.050   0.289   6.121
   77    HD1  TRP  10           HD1      TRP  10  -6.339  -0.646   6.138
   78    HE1  TRP  10          1HE       TRP  10  -4.223   0.789   6.451
   79    HE3  TRP  10          3HE       TRP  10  -8.277   3.879   4.894
   80    HZ2  TRP  10          2HZ       TRP  10  -3.481   3.512   6.195
   81    HZ3  TRP  10          3HZ       TRP  10  -6.815   5.869   4.946
   82    HH2  TRP  10           HH2      TRP  10  -4.464   5.682   5.585
   83    H    SER  11           H        SER  11  -7.941   2.051   2.754
   84    HA   SER  11           HA       SER  11 -10.142   3.383   1.884
   85   1HB   SER  11          2HB       SER  11  -7.577   3.828   1.512
   86   2HB   SER  11          1HB       SER  11  -7.874   3.052  -0.044
   87    HG   SER  11           HG       SER  11  -8.152   5.454   0.175
   88    H    HIS  12           H        HIS  12  -8.923   0.362   0.679
   89    HA   HIS  12           HA       HIS  12 -10.814   0.412  -1.558
   90   1HB   HIS  12          2HB       HIS  12  -8.253  -0.912  -1.044
   91   2HB   HIS  12          1HB       HIS  12  -9.468  -1.984  -1.734
   92    HD1  HIS  12          1HD       HIS  12 -10.789  -0.549  -3.871
   93    HD2  HIS  12          2HD       HIS  12  -6.782   0.158  -3.027
   94    HE1  HIS  12          1HE       HIS  12  -9.826   0.449  -5.969
   95    HE2  HIS  12          2HE       HIS  12  -7.382   0.784  -5.464
   96    H    SER  13           H        SER  13 -10.256  -1.039   1.532
   97    HA   SER  13           HA       SER  13 -11.760  -2.176   2.857
   98   1HB   SER  13          2HB       SER  13 -13.368  -2.099   0.317
   99   2HB   SER  13          1HB       SER  13 -13.872  -3.113   1.669
  100    HG   SER  13           HG       SER  13 -13.215  -0.597   2.465
  101    H    GLY  14           H        GLY  14  -9.659  -3.484   2.471
  102   1HA   GLY  14          2HA       GLY  14 -10.444  -6.125   1.401
  103   2HA   GLY  14          1HA       GLY  14  -8.828  -5.469   1.188
  104    H    VAL  15           H        VAL  15  -7.680  -6.998   2.280
  105    HA   VAL  15           HA       VAL  15  -8.074  -7.049   5.188
  106    HB   VAL  15           HB       VAL  15  -7.533  -9.540   3.565
  107   1HG1  VAL  15          1HG1      VAL  15  -6.594  -9.971   5.618
  108   2HG1  VAL  15          2HG1      VAL  15  -8.250 -10.519   5.885
  109   3HG1  VAL  15          3HG1      VAL  15  -7.736  -8.941   6.480
  110   1HG2  VAL  15          1HG2      VAL  15 -10.057  -8.321   4.554
  111   2HG2  VAL  15          2HG2      VAL  15  -9.892 -10.075   4.639
  112   3HG2  VAL  15          3HG2      VAL  15  -9.748  -9.250   3.087
  113    H    CYS  16           H        CYS  16  -6.163  -7.865   6.356
  114    HA   CYS  16           HA       CYS  16  -3.658  -7.774   4.858
  115   1HB   CYS  16          2HB       CYS  16  -4.218  -5.993   7.238
  116   2HB   CYS  16          1HB       CYS  16  -2.669  -6.152   6.421
  117    H    ARG  17           H        ARG  17  -2.486  -9.464   5.448
  118    HA   ARG  17           HA       ARG  17  -2.474 -10.286   8.262
  119   1HB   ARG  17          2HB       ARG  17  -2.297 -12.703   7.043
  120   2HB   ARG  17          1HB       ARG  17  -3.789 -12.025   7.680
  121   1HG   ARG  17          2HG       ARG  17  -3.534 -10.988   5.096
  122   2HG   ARG  17          1HG       ARG  17  -3.093 -12.693   4.979
  123   1HD   ARG  17          2HD       ARG  17  -5.640 -11.540   6.102
  124   2HD   ARG  17          1HD       ARG  17  -5.459 -12.482   4.622
  125    HE   ARG  17           HE       ARG  17  -4.908 -14.395   6.035
  126   1HH1  ARG  17          2HH1      ARG  17  -6.437 -11.656   7.544
  127   2HH1  ARG  17          1HH1      ARG  17  -7.070 -12.574   8.869
  128   1HH2  ARG  17          1HH2      ARG  17  -5.738 -15.615   7.775
  129   2HH2  ARG  17          2HH2      ARG  17  -6.671 -14.825   9.000
  130    H    ASP  18           H        ASP  18  -0.787 -12.347   8.254
  131    HA   ASP  18           HA       ASP  18   1.735 -11.118   7.743
  132   1HB   ASP  18          2HB       ASP  18   0.750 -13.529   9.078
  133   2HB   ASP  18          1HB       ASP  18   2.288 -13.774   8.259
  134    H    LYS  19           H        LYS  19   2.885 -11.144   5.938
  135    HA   LYS  19           HA       LYS  19   2.184 -12.007   3.500
  136   1HB   LYS  19          2HB       LYS  19   4.922 -12.574   3.530
  137   2HB   LYS  19          1HB       LYS  19   4.160 -11.050   3.095
  138   1HG   LYS  19          2HG       LYS  19   5.903 -10.708   4.743
  139   2HG   LYS  19          1HG       LYS  19   4.323 -10.303   5.415
  140   1HD   LYS  19          2HD       LYS  19   4.427 -11.938   6.955
  141   2HD   LYS  19          1HD       LYS  19   5.126 -13.092   5.818
  142   1HE   LYS  19          2HE       LYS  19   7.309 -11.961   6.073
  143   2HE   LYS  19          1HE       LYS  19   6.588 -10.894   7.277
  144   1HZ   LYS  19          1HZ       LYS  19   6.702 -13.851   7.518
  145   2HZ   LYS  19          2HZ       LYS  19   6.178 -12.759   8.697
  146   3HZ   LYS  19          3HZ       LYS  19   7.807 -12.791   8.242
  147    H    SER  20           H        SER  20   3.974 -13.987   5.846
  148    HA   SER  20           HA       SER  20   4.226 -16.281   4.259
  149   1HB   SER  20          2HB       SER  20   5.205 -15.610   6.642
  150   2HB   SER  20          1HB       SER  20   3.856 -16.601   7.194
  151    HG   SER  20           HG       SER  20   6.203 -17.405   6.260
  152    H    GLU  21           H        GLU  21   1.443 -14.898   4.791
  153    HA   GLU  21           HA       GLU  21  -0.174 -16.981   5.840
  154   1HB   GLU  21          2HB       GLU  21  -0.540 -14.304   5.295
  155   2HB   GLU  21          1HB       GLU  21  -1.543 -15.091   4.090
  156   1HG   GLU  21          2HG       GLU  21  -1.899 -16.293   6.683
  157   2HG   GLU  21          1HG       GLU  21  -2.191 -14.556   6.738
  158    H    ARG  22           H        ARG  22  -1.648 -18.235   4.756
  159    HA   ARG  22           HA       ARG  22  -0.849 -18.975   2.046
  160   1HB   ARG  22          2HB       ARG  22  -1.856 -20.416   4.410
  161   2HB   ARG  22          1HB       ARG  22  -2.488 -20.967   2.871
  162   1HG   ARG  22          2HG       ARG  22   0.323 -20.610   2.633
  163   2HG   ARG  22          1HG       ARG  22  -0.017 -21.575   4.070
  164   1HD   ARG  22          2HD       ARG  22   0.296 -22.841   1.886
  165   2HD   ARG  22          1HD       ARG  22  -1.146 -23.221   2.827
  166    HE   ARG  22           HE       ARG  22  -1.059 -21.690   0.325
  167   1HH1  ARG  22          2HH1      ARG  22  -2.869 -23.284   2.838
  168   2HH1  ARG  22          1HH1      ARG  22  -4.363 -23.248   1.965
  169   1HH2  ARG  22          1HH2      ARG  22  -3.025 -21.636  -0.834
  170   2HH2  ARG  22          2HH2      ARG  22  -4.453 -22.313  -0.124
  171    H    ASN  23           H        ASN  23  -3.323 -17.423   3.747
  172    HA   ASN  23           HA       ASN  23  -5.139 -17.737   1.449
  173   1HB   ASN  23          2HB       ASN  23  -6.107 -18.913   3.325
  174   2HB   ASN  23          1HB       ASN  23  -5.860 -17.521   4.377
  175   1HD2  ASN  23          1HD2      ASN  23  -8.115 -17.648   4.831
  176   2HD2  ASN  23          2HD2      ASN  23  -9.264 -16.973   3.731
  177    H    CYS  24           H        CYS  24  -3.647 -15.798   0.912
  178    HA   CYS  24           HA       CYS  24  -5.064 -13.372   1.778
  179   1HB   CYS  24          2HB       CYS  24  -2.736 -13.679   2.821
  180   2HB   CYS  24          1HB       CYS  24  -2.109 -13.369   1.206
  181    H    LYS  25           H        LYS  25  -6.283 -13.291  -0.092
  182    HA   LYS  25           HA       LYS  25  -5.472 -13.717  -2.691
  183   1HB   LYS  25          2HB       LYS  25  -7.433 -11.600  -1.788
  184   2HB   LYS  25          1HB       LYS  25  -7.357 -12.349  -3.378
  185   1HG   LYS  25          2HG       LYS  25  -7.752 -14.557  -2.108
  186   2HG   LYS  25          1HG       LYS  25  -8.284 -13.517  -0.787
  187   1HD   LYS  25          2HD       LYS  25  -9.891 -12.447  -2.352
  188   2HD   LYS  25          1HD       LYS  25  -9.416 -13.618  -3.583
  189   1HE   LYS  25          2HE       LYS  25 -11.447 -13.925  -1.745
  190   2HE   LYS  25          1HE       LYS  25 -10.707 -15.208  -2.700
  191   1HZ   LYS  25          1HZ       LYS  25 -10.144 -16.119  -0.770
  192   2HZ   LYS  25          2HZ       LYS  25 -10.564 -14.736   0.108
  193   3HZ   LYS  25          3HZ       LYS  25  -9.021 -14.869  -0.573
  194    HA   PRO  26           HA       PRO  26  -2.122 -10.630  -2.810
  195   1HB   PRO  26          2HB       PRO  26  -2.453 -11.556  -5.640
  196   2HB   PRO  26          1HB       PRO  26  -0.971 -11.264  -4.721
  197   1HG   PRO  26          2HG       PRO  26  -1.883 -13.744  -5.100
  198   2HG   PRO  26          1HG       PRO  26  -1.130 -13.265  -3.569
  199   1HD   PRO  26          2HD       PRO  26  -3.977 -13.804  -4.184
  200   2HD   PRO  26          1HD       PRO  26  -3.109 -13.933  -2.641
  201    H    MET  27           H        MET  27  -3.448  -8.810  -2.421
  202    HA   MET  27           HA       MET  27  -4.883  -7.716  -4.734
  203   1HB   MET  27          2HB       MET  27  -5.656  -7.919  -2.118
  204   2HB   MET  27          1HB       MET  27  -5.053  -6.268  -2.180
  205   1HG   MET  27          2HG       MET  27  -6.566  -6.317  -4.410
  206   2HG   MET  27          1HG       MET  27  -7.447  -7.461  -3.397
  207   1HE   MET  27          1HE       MET  27  -8.354  -6.180  -0.478
  208   2HE   MET  27          2HE       MET  27  -8.851  -7.124  -1.882
  209   3HE   MET  27          3HE       MET  27  -9.652  -5.594  -1.518
  210    H    ALA  28           H        ALA  28  -3.665  -6.452  -5.979
  211    HA   ALA  28           HA       ALA  28  -1.347  -5.087  -5.006
  212   1HB   ALA  28          1HB       ALA  28  -2.069  -4.064  -7.535
  213   2HB   ALA  28          2HB       ALA  28  -2.442  -5.787  -7.546
  214   3HB   ALA  28          3HB       ALA  28  -0.811  -5.240  -7.155
  215    H    TRP  29           H        TRP  29  -1.205  -2.674  -5.999
  216    HA   TRP  29           HA       TRP  29  -1.631  -0.540  -5.279
  217   1HB   TRP  29          2HB       TRP  29  -4.382  -1.076  -6.363
  218   2HB   TRP  29          1HB       TRP  29  -3.413   0.387  -6.483
  219    HD1  TRP  29           HD1      TRP  29  -4.594  -2.136  -8.680
  220    HE1  TRP  29          1HE       TRP  29  -3.031  -2.515 -10.691
  221    HE3  TRP  29          3HE       TRP  29  -0.401   0.169  -6.888
  222    HZ2  TRP  29          2HZ       TRP  29  -0.370  -1.914 -11.419
  223    HZ3  TRP  29          3HZ       TRP  29   1.613   0.224  -8.302
  224    HH2  TRP  29           HH2      TRP  29   1.627  -0.798 -10.521
  225    H    THR  30           H        THR  30  -1.559  -1.274  -3.001
  226    HA   THR  30           HA       THR  30  -3.479  -0.059  -1.443
  227    HB   THR  30           HB       THR  30  -5.191  -1.543  -1.799
  228    HG1  THR  30          1HG       THR  30  -4.104  -1.772   0.469
  229   1HG2  THR  30          1HG2      THR  30  -3.615  -4.046  -1.705
  230   2HG2  THR  30          2HG2      THR  30  -3.522  -3.064  -3.166
  231   3HG2  THR  30          3HG2      THR  30  -5.083  -3.658  -2.601
  232    H    TYR  31           H        TYR  31  -2.709   0.174   0.588
  233    HA   TYR  31           HA       TYR  31  -0.721  -1.750   1.563
  234   1HB   TYR  31          2HB       TYR  31   0.901  -0.152   2.013
  235   2HB   TYR  31          1HB       TYR  31   0.252   0.414   0.478
  236    HD1  TYR  31          1HD       TYR  31   1.595   1.733   3.172
  237    HD2  TYR  31          2HD       TYR  31  -2.210   1.768   1.267
  238    HE1  TYR  31          1HE       TYR  31   1.111   3.920   4.190
  239    HE2  TYR  31          2HE       TYR  31  -2.702   3.954   2.279
  240    HH   TYR  31           HH       TYR  31  -2.043   5.456   3.832
  241    H    CYS  32           H        CYS  32  -0.623  -1.992   3.789
  242    HA   CYS  32           HA       CYS  32  -2.899  -0.840   5.237
  243   1HB   CYS  32          2HB       CYS  32  -1.774  -3.451   5.126
  244   2HB   CYS  32          1HB       CYS  32  -1.559  -2.847   6.766
  245    H    GLU  33           H        GLU  33  -2.268  -0.924   7.787
  246    HA   GLU  33           HA       GLU  33  -0.539   1.283   8.153
  247   1HB   GLU  33          2HB       GLU  33  -1.491  -0.631  10.287
  248   2HB   GLU  33          1HB       GLU  33  -0.977   1.037  10.505
  249   1HG   GLU  33          2HG       GLU  33  -2.904   1.850   9.347
  250   2HG   GLU  33          1HG       GLU  33  -3.382   0.215   8.897
  251    H    ASN  34           H        ASN  34   0.058  -2.062   7.907
  252    HA   ASN  34           HA       ASN  34   2.664  -1.805   9.240
  253   1HB   ASN  34          2HB       ASN  34   0.868  -3.738   9.627
  254   2HB   ASN  34          1HB       ASN  34   1.689  -4.434   8.233
  255   1HD2  ASN  34          1HD2      ASN  34   2.343  -2.977  11.391
  256   2HD2  ASN  34          2HD2      ASN  34   3.697  -3.980  11.768
  257    H    ARG  35           H        ARG  35   4.497  -1.780   8.102
  258    HA   ARG  35           HA       ARG  35   4.347  -1.863   5.213
  259   1HB   ARG  35          2HB       ARG  35   6.043  -0.642   7.168
  260   2HB   ARG  35          1HB       ARG  35   7.036  -1.617   6.093
  261   1HG   ARG  35          2HG       ARG  35   5.330  -0.278   4.379
  262   2HG   ARG  35          1HG       ARG  35   5.723   0.917   5.615
  263   1HD   ARG  35          2HD       ARG  35   7.261   0.767   3.578
  264   2HD   ARG  35          1HD       ARG  35   8.014   0.795   5.171
  265    HE   ARG  35           HE       ARG  35   7.839  -1.823   4.746
  266   1HH1  ARG  35          2HH1      ARG  35   8.890   0.746   2.639
  267   2HH1  ARG  35          1HH1      ARG  35   9.998  -0.253   1.761
  268   1HH2  ARG  35          1HH2      ARG  35   9.298  -3.147   3.596
  269   2HH2  ARG  35          2HH2      ARG  35  10.230  -2.467   2.304
  270    H    ASN  36           H        ASN  36   4.221  -4.276   7.165
  271    HA   ASN  36           HA       ASN  36   6.069  -5.947   5.605
  272   1HB   ASN  36          2HB       ASN  36   6.651  -5.378   8.139
  273   2HB   ASN  36          1HB       ASN  36   5.510  -6.685   8.439
  274   1HD2  ASN  36          1HD2      ASN  36   7.676  -6.404   5.692
  275   2HD2  ASN  36          2HD2      ASN  36   8.643  -7.784   6.076
  276    H    GLN  37           H        GLN  37   2.956  -5.284   6.369
  277    HA   GLN  37           HA       GLN  37   2.053  -8.069   6.317
  278   1HB   GLN  37          2HB       GLN  37   1.191  -5.969   7.822
  279   2HB   GLN  37          1HB       GLN  37   0.041  -5.926   6.493
  280   1HG   GLN  37          2HG       GLN  37  -0.439  -8.329   6.914
  281   2HG   GLN  37          1HG       GLN  37   0.597  -8.234   8.337
  282   1HE2  GLN  37          1HE2      GLN  37  -1.850  -9.032   8.828
  283   2HE2  GLN  37          2HE2      GLN  37  -2.814  -7.788   9.540
  284    H    LYS  38           H        LYS  38   0.349  -8.705   4.861
  285    HA   LYS  38           HA       LYS  38   0.524  -7.294   2.292
  286   1HB   LYS  38          2HB       LYS  38  -0.652 -10.001   2.389
  287   2HB   LYS  38          1HB       LYS  38   0.475  -9.299   1.235
  288   1HG   LYS  38          2HG       LYS  38   1.986  -9.482   3.517
  289   2HG   LYS  38          1HG       LYS  38   0.982 -10.933   3.586
  290   1HD   LYS  38          2HD       LYS  38   2.279 -10.240   1.000
  291   2HD   LYS  38          1HD       LYS  38   3.288 -10.899   2.289
  292   1HE   LYS  38          2HE       LYS  38   2.493 -12.955   1.967
  293   2HE   LYS  38          1HE       LYS  38   0.825 -12.385   2.015
  294   1HZ   LYS  38          1HZ       LYS  38   1.284 -11.602  -0.360
  295   2HZ   LYS  38          2HZ       LYS  38   1.066 -13.260  -0.106
  296   3HZ   LYS  38          3HZ       LYS  38   2.624 -12.634  -0.312
  297    H    CYS  39           H        CYS  39  -1.368  -7.063   0.999
  298    HA   CYS  39           HA       CYS  39  -3.865  -7.065   2.564
  299   1HB   CYS  39          2HB       CYS  39  -3.154  -4.800   2.105
  300   2HB   CYS  39          1HB       CYS  39  -2.964  -5.167   0.394
  301    H    CYS  40           H        CYS  40  -5.036  -8.742   1.929
  302    HA   CYS  40           HA       CYS  40  -5.056  -9.528  -0.881
  303   1HB   CYS  40          2HB       CYS  40  -6.598 -11.328   0.596
  304   2HB   CYS  40          1HB       CYS  40  -4.947 -11.561   0.033
  305    H    GLU  41           H        GLU  41  -7.260 -10.400  -1.633
  306    HA   GLU  41           HA       GLU  41  -9.069  -8.307  -1.838
  307   1HB   GLU  41          2HB       GLU  41  -8.855 -10.958  -2.813
  308   2HB   GLU  41          1HB       GLU  41 -10.465 -10.796  -2.126
  309   1HG   GLU  41          2HG       GLU  41  -9.407  -8.720  -3.996
  310   2HG   GLU  41          1HG       GLU  41 -10.074 -10.230  -4.615
  311    H    TYR  42           HN       TYR  42  -9.778 -11.366  -0.148
  312    HA   TYR  42           HA       TYR  42 -11.202  -9.808   1.898
  313   1HB   TYR  42          2HB       TYR  42 -12.935 -10.728   0.558
  314   2HB   TYR  42          1HB       TYR  42 -12.127 -12.289   0.469
  315    HD1  TYR  42          1HD       TYR  42 -12.842 -10.127   3.419
  316    HD2  TYR  42          2HD       TYR  42 -13.585 -13.819   1.439
  317    HE1  TYR  42          1HE       TYR  42 -14.135 -10.899   5.360
  318    HE2  TYR  42          2HE       TYR  42 -14.881 -14.601   3.376
  319    HH   TYR  42           HH       TYR  42 -15.438 -12.506   6.187
  Start of MODEL   10
    1   1H    ILE   1          1H        ILE   1  11.371  10.861  -0.532
    2   2H    ILE   1          2H        ILE   1  11.247  11.959   0.781
    3   3H    ILE   1          3H        ILE   1  10.932  12.493  -0.820
    4    HA   ILE   1           HA       ILE   1   9.173  11.492   1.043
    5    HB   ILE   1           HB       ILE   1   8.985  12.290  -1.852
    6   1HG1  ILE   1          2HG1      ILE   1   8.087  14.315  -1.032
    7   2HG1  ILE   1          1HG1      ILE   1   7.748  13.622   0.549
    8   1HG2  ILE   1          1HG2      ILE   1   6.432  12.243  -0.525
    9   2HG2  ILE   1          2HG2      ILE   1   7.156  10.633  -0.544
   10   3HG2  ILE   1          3HG2      ILE   1   6.915  11.510  -2.055
   11   1HD1  ILE   1          1HD1      ILE   1   9.879  13.904   1.281
   12   2HD1  ILE   1          2HD1      ILE   1   9.783  15.243   0.136
   13   3HD1  ILE   1          3HD1      ILE   1  10.574  13.735  -0.330
   14    H    MET   2           H        MET   2   8.129   9.616   1.316
   15    HA   MET   2           HA       MET   2   9.092   7.239   0.172
   16   1HB   MET   2          2HB       MET   2   6.393   6.944   1.160
   17   2HB   MET   2          1HB       MET   2   7.894   6.294   1.807
   18   1HG   MET   2          2HG       MET   2   8.143   8.823   2.622
   19   2HG   MET   2          1HG       MET   2   6.385   8.715   2.568
   20   1HE   MET   2          1HE       MET   2   6.564   9.496   4.756
   21   2HE   MET   2          2HE       MET   2   7.513   8.803   6.070
   22   3HE   MET   2          3HE       MET   2   5.843   8.295   5.827
   23    H    PHE   3           H        PHE   3   8.105   5.764  -1.265
   24    HA   PHE   3           HA       PHE   3   6.226   7.025  -3.152
   25   1HB   PHE   3          2HB       PHE   3   8.518   5.127  -3.573
   26   2HB   PHE   3          1HB       PHE   3   7.218   5.236  -4.752
   27    HD1  PHE   3          1HD       PHE   3   6.883   7.270  -6.051
   28    HD2  PHE   3          2HD       PHE   3  10.113   6.897  -3.304
   29    HE1  PHE   3          1HE       PHE   3   7.987   9.209  -7.090
   30    HE2  PHE   3          2HE       PHE   3  11.221   8.836  -4.336
   31    HZ   PHE   3           HZ       PHE   3  10.157   9.994  -6.232
   32    H    PHE   4           H        PHE   4   6.826   4.339  -1.082
   33    HA   PHE   4           HA       PHE   4   4.979   2.517  -2.251
   34   1HB   PHE   4          2HB       PHE   4   6.294   2.679   0.455
   35   2HB   PHE   4          1HB       PHE   4   5.130   1.419   0.060
   36    HD1  PHE   4          1HD       PHE   4   7.790   0.666   0.888
   37    HD2  PHE   4          2HD       PHE   4   6.362   1.726  -2.978
   38    HE1  PHE   4          1HE       PHE   4   9.585  -0.670  -0.137
   39    HE2  PHE   4          2HE       PHE   4   8.153   0.392  -4.010
   40    HZ   PHE   4           HZ       PHE   4   9.768  -0.808  -2.589
   41    H    GLU   5           H        GLU   5   3.804   5.083  -1.986
   42    HA   GLU   5           HA       GLU   5   1.842   4.738   0.165
   43   1HB   GLU   5          2HB       GLU   5   1.355   7.124  -1.294
   44   2HB   GLU   5          1HB       GLU   5   1.955   6.956   0.349
   45   1HG   GLU   5          2HG       GLU   5   4.189   7.076  -0.331
   46   2HG   GLU   5          1HG       GLU   5   3.780   6.770  -2.019
   47    H    MET   6           H        MET   6   1.299   2.836  -1.465
   48    HA   MET   6           HA       MET   6  -0.115   3.349  -3.818
   49   1HB   MET   6          2HB       MET   6  -0.030   1.072  -1.884
   50   2HB   MET   6          1HB       MET   6  -1.261   1.077  -3.140
   51   1HG   MET   6          2HG       MET   6   0.750   1.520  -4.726
   52   2HG   MET   6          1HG       MET   6   1.701   0.870  -3.394
   53   1HE   MET   6          1HE       MET   6   2.681  -0.978  -4.140
   54   2HE   MET   6          2HE       MET   6   1.959  -2.501  -4.662
   55   3HE   MET   6          3HE       MET   6   1.824  -1.989  -2.979
   56    H    GLN   7           H        GLN   7  -2.230   1.576  -1.931
   57    HA   GLN   7           HA       GLN   7  -3.888   3.867  -1.198
   58   1HB   GLN   7          2HB       GLN   7  -4.872   1.612  -2.960
   59   2HB   GLN   7          1HB       GLN   7  -5.859   2.921  -2.318
   60   1HG   GLN   7          2HG       GLN   7  -4.378   4.513  -3.566
   61   2HG   GLN   7          1HG       GLN   7  -3.640   3.111  -4.338
   62   1HE2  GLN   7          1HE2      GLN   7  -4.931   1.805  -5.705
   63   2HE2  GLN   7          2HE2      GLN   7  -6.349   2.442  -6.460
   64    H    ALA   8           H        ALA   8  -4.150   3.524   0.914
   65    HA   ALA   8           HA       ALA   8  -3.836   1.545   2.569
   66   1HB   ALA   8          1HB       ALA   8  -6.296   3.269   2.444
   67   2HB   ALA   8          2HB       ALA   8  -4.852   3.488   3.433
   68   3HB   ALA   8          3HB       ALA   8  -5.970   2.171   3.785
   69    H    CYS   9           H        CYS   9  -4.604  -0.433   3.148
   70    HA   CYS   9           HA       CYS   9  -5.908  -2.005   1.204
   71   1HB   CYS   9          2HB       CYS   9  -4.321  -2.769   3.052
   72   2HB   CYS   9          1HB       CYS   9  -5.704  -2.691   4.134
   73    H    TRP  10           H        TRP  10  -7.061  -0.120   3.876
   74    HA   TRP  10           HA       TRP  10  -9.621  -1.345   4.109
   75   1HB   TRP  10          2HB       TRP  10  -9.819   1.316   4.989
   76   2HB   TRP  10          1HB       TRP  10  -9.547  -0.109   5.978
   77    HD1  TRP  10           HD1      TRP  10  -6.756  -0.791   6.155
   78    HE1  TRP  10          1HE       TRP  10  -4.810   0.850   6.560
   79    HE3  TRP  10          3HE       TRP  10  -9.048   3.508   4.720
   80    HZ2  TRP  10          2HZ       TRP  10  -4.322   3.628   6.295
   81    HZ3  TRP  10          3HZ       TRP  10  -7.791   5.629   4.816
   82    HH2  TRP  10           HH2      TRP  10  -5.473   5.684   5.590
   83    H    SER  11           H        SER  11  -8.596   1.776   2.722
   84    HA   SER  11           HA       SER  11 -10.897   2.752   1.713
   85   1HB   SER  11          2HB       SER  11  -8.299   3.401   1.363
   86   2HB   SER  11          1HB       SER  11  -8.669   2.771  -0.242
   87    HG   SER  11           HG       SER  11  -9.073   5.064   0.066
   88    H    HIS  12           H        HIS  12  -9.360  -0.168   0.734
   89    HA   HIS  12           HA       HIS  12 -11.267  -0.433  -1.498
   90   1HB   HIS  12          2HB       HIS  12  -8.468  -1.469  -1.147
   91   2HB   HIS  12          1HB       HIS  12  -9.585  -2.250  -2.262
   92    HD1  HIS  12          1HD       HIS  12 -10.645  -0.508  -4.114
   93    HD2  HIS  12          2HD       HIS  12  -7.094   0.586  -2.253
   94    HE1  HIS  12          1HE       HIS  12  -9.636   1.268  -5.583
   95    HE2  HIS  12          2HE       HIS  12  -7.531   1.974  -4.393
   96    H    SER  13           H        SER  13 -12.068  -0.975   1.120
   97    HA   SER  13           HA       SER  13 -12.594  -2.714   2.601
   98   1HB   SER  13          2HB       SER  13 -14.381  -4.115   1.448
   99   2HB   SER  13          1HB       SER  13 -14.604  -2.367   1.375
  100    HG   SER  13           HG       SER  13 -14.931  -3.321  -0.663
  101    H    GLY  14           H        GLY  14 -10.185  -3.448   2.316
  102   1HA   GLY  14          2HA       GLY  14 -10.236  -6.232   1.326
  103   2HA   GLY  14          1HA       GLY  14  -8.814  -5.205   1.220
  104    H    VAL  15           H        VAL  15  -7.749  -6.977   2.355
  105    HA   VAL  15           HA       VAL  15  -7.998  -6.611   5.247
  106    HB   VAL  15           HB       VAL  15  -7.523  -9.380   4.223
  107   1HG1  VAL  15          1HG1      VAL  15  -7.718  -9.962   6.372
  108   2HG1  VAL  15          2HG1      VAL  15  -9.153  -8.963   6.603
  109   3HG1  VAL  15          3HG1      VAL  15  -7.549  -8.241   6.719
  110   1HG2  VAL  15          1HG2      VAL  15  -9.912  -9.868   4.329
  111   2HG2  VAL  15          2HG2      VAL  15  -9.574  -8.643   3.104
  112   3HG2  VAL  15          3HG2      VAL  15 -10.252  -8.168   4.661
  113    H    CYS  16           H        CYS  16  -6.104  -7.851   6.361
  114    HA   CYS  16           HA       CYS  16  -3.681  -7.843   4.731
  115   1HB   CYS  16          2HB       CYS  16  -4.155  -6.067   7.120
  116   2HB   CYS  16          1HB       CYS  16  -2.535  -6.503   6.587
  117    H    ARG  17           H        ARG  17  -2.681  -9.696   5.114
  118    HA   ARG  17           HA       ARG  17  -2.740 -10.789   7.848
  119   1HB   ARG  17          2HB       ARG  17  -2.336 -12.858   5.895
  120   2HB   ARG  17          1HB       ARG  17  -3.596 -12.716   7.114
  121   1HG   ARG  17          2HG       ARG  17  -4.341 -10.911   5.143
  122   2HG   ARG  17          1HG       ARG  17  -3.731 -12.312   4.258
  123   1HD   ARG  17          2HD       ARG  17  -5.910 -12.941   4.541
  124   2HD   ARG  17          1HD       ARG  17  -5.202 -13.629   6.002
  125    HE   ARG  17           HE       ARG  17  -6.016 -11.069   6.658
  126   1HH1  ARG  17          2HH1      ARG  17  -7.491 -14.017   5.533
  127   2HH1  ARG  17          1HH1      ARG  17  -9.008 -13.708   6.306
  128   1HH2  ARG  17          1HH2      ARG  17  -8.011 -10.652   7.684
  129   2HH2  ARG  17          2HH2      ARG  17  -9.305 -11.794   7.529
  130    H    ASP  18           H        ASP  18  -0.851 -11.629   8.649
  131    HA   ASP  18           HA       ASP  18   1.551 -10.639   8.188
  132   1HB   ASP  18          2HB       ASP  18   0.921 -13.528   8.798
  133   2HB   ASP  18          1HB       ASP  18   2.559 -12.880   8.843
  134    H    LYS  19           H        LYS  19   2.999 -10.487   6.602
  135    HA   LYS  19           HA       LYS  19   2.616 -11.198   4.008
  136   1HB   LYS  19          2HB       LYS  19   5.005 -10.569   5.634
  137   2HB   LYS  19          1HB       LYS  19   5.315 -11.369   4.100
  138   1HG   LYS  19          2HG       LYS  19   3.458  -9.073   4.042
  139   2HG   LYS  19          1HG       LYS  19   5.158  -8.720   4.362
  140   1HD   LYS  19          2HD       LYS  19   3.971 -10.108   1.968
  141   2HD   LYS  19          1HD       LYS  19   4.853  -8.580   2.009
  142   1HE   LYS  19          2HE       LYS  19   5.932 -11.354   2.458
  143   2HE   LYS  19          1HE       LYS  19   6.343 -10.230   1.163
  144   1HZ   LYS  19          1HZ       LYS  19   6.827  -9.044   3.688
  145   2HZ   LYS  19          2HZ       LYS  19   7.912  -9.337   2.425
  146   3HZ   LYS  19          3HZ       LYS  19   7.629 -10.530   3.589
  147    H    SER  20           H        SER  20   3.224 -13.309   6.567
  148    HA   SER  20           HA       SER  20   4.185 -15.443   4.796
  149   1HB   SER  20          2HB       SER  20   4.831 -14.712   7.442
  150   2HB   SER  20          1HB       SER  20   3.964 -16.242   7.552
  151    HG   SER  20           HG       SER  20   5.499 -17.220   6.377
  152    H    GLU  21           H        GLU  21   1.369 -14.360   5.050
  153    HA   GLU  21           HA       GLU  21  -0.081 -16.617   6.132
  154   1HB   GLU  21          2HB       GLU  21  -0.643 -13.912   5.883
  155   2HB   GLU  21          1HB       GLU  21  -1.674 -14.667   4.681
  156   1HG   GLU  21          2HG       GLU  21  -1.827 -16.180   7.084
  157   2HG   GLU  21          1HG       GLU  21  -2.066 -14.476   7.470
  158    H    ARG  22           H        ARG  22  -1.614 -17.767   4.921
  159    HA   ARG  22           HA       ARG  22  -0.816 -18.169   2.140
  160   1HB   ARG  22          2HB       ARG  22  -1.781 -19.905   4.323
  161   2HB   ARG  22          1HB       ARG  22  -2.372 -20.293   2.720
  162   1HG   ARG  22          2HG       ARG  22   0.418 -19.821   2.544
  163   2HG   ARG  22          1HG       ARG  22   0.120 -20.928   3.884
  164   1HD   ARG  22          2HD       ARG  22   0.479 -22.100   1.743
  165   2HD   ARG  22          1HD       ARG  22  -1.111 -22.416   2.436
  166    HE   ARG  22           HE       ARG  22  -1.493 -20.312   0.729
  167   1HH1  ARG  22          2HH1      ARG  22  -0.238 -23.547   0.443
  168   2HH1  ARG  22          1HH1      ARG  22  -0.741 -23.737  -1.202
  169   1HH2  ARG  22          1HH2      ARG  22  -2.162 -20.550  -1.439
  170   2HH2  ARG  22          2HH2      ARG  22  -1.836 -22.032  -2.273
  171    H    ASN  23           H        ASN  23  -3.334 -16.975   4.074
  172    HA   ASN  23           HA       ASN  23  -5.264 -17.210   1.864
  173   1HB   ASN  23          2HB       ASN  23  -5.954 -18.172   4.063
  174   2HB   ASN  23          1HB       ASN  23  -5.838 -16.559   4.762
  175   1HD2  ASN  23          1HD2      ASN  23  -8.158 -18.192   4.676
  176   2HD2  ASN  23          2HD2      ASN  23  -9.345 -17.361   3.734
  177    H    CYS  24           H        CYS  24  -3.938 -15.416   0.912
  178    HA   CYS  24           HA       CYS  24  -5.146 -12.868   1.674
  179   1HB   CYS  24          2HB       CYS  24  -2.617 -13.402   2.513
  180   2HB   CYS  24          1HB       CYS  24  -2.291 -12.670   0.946
  181    H    LYS  25           H        LYS  25  -6.385 -13.012  -0.212
  182    HA   LYS  25           HA       LYS  25  -5.470 -13.600  -2.770
  183   1HB   LYS  25          2HB       LYS  25  -7.727 -11.866  -1.788
  184   2HB   LYS  25          1HB       LYS  25  -7.420 -12.090  -3.502
  185   1HG   LYS  25          2HG       LYS  25  -9.128 -13.617  -2.797
  186   2HG   LYS  25          1HG       LYS  25  -7.669 -14.526  -3.195
  187   1HD   LYS  25          2HD       LYS  25  -7.254 -15.082  -1.006
  188   2HD   LYS  25          1HD       LYS  25  -8.088 -13.660  -0.375
  189   1HE   LYS  25          2HE       LYS  25  -9.170 -16.006  -0.109
  190   2HE   LYS  25          1HE       LYS  25 -10.173 -14.632  -0.570
  191   1HZ   LYS  25          1HZ       LYS  25  -8.954 -16.277  -2.675
  192   2HZ   LYS  25          2HZ       LYS  25 -10.396 -15.396  -2.702
  193   3HZ   LYS  25          3HZ       LYS  25 -10.320 -16.865  -1.868
  194    HA   PRO  26           HA       PRO  26  -2.385 -10.366  -3.291
  195   1HB   PRO  26          2HB       PRO  26  -3.067 -11.177  -6.094
  196   2HB   PRO  26          1HB       PRO  26  -1.484 -10.875  -5.368
  197   1HG   PRO  26          2HG       PRO  26  -2.380 -13.367  -5.732
  198   2HG   PRO  26          1HG       PRO  26  -1.430 -12.927  -4.301
  199   1HD   PRO  26          2HD       PRO  26  -4.313 -13.550  -4.530
  200   2HD   PRO  26          1HD       PRO  26  -3.235 -13.679  -3.127
  201    H    MET  27           H        MET  27  -3.642  -8.579  -2.661
  202    HA   MET  27           HA       MET  27  -5.340  -7.398  -4.752
  203   1HB   MET  27          2HB       MET  27  -6.380  -7.811  -2.523
  204   2HB   MET  27          1HB       MET  27  -5.222  -6.694  -1.814
  205   1HG   MET  27          2HG       MET  27  -7.653  -5.945  -2.525
  206   2HG   MET  27          1HG       MET  27  -6.267  -4.864  -2.635
  207   1HE   MET  27          1HE       MET  27  -8.710  -7.231  -4.875
  208   2HE   MET  27          2HE       MET  27  -9.122  -5.818  -5.848
  209   3HE   MET  27          3HE       MET  27  -9.276  -5.756  -4.090
  210    H    ALA  28           H        ALA  28  -3.491  -6.618  -5.920
  211    HA   ALA  28           HA       ALA  28  -1.481  -4.990  -4.894
  212   1HB   ALA  28          1HB       ALA  28  -0.795  -5.113  -7.001
  213   2HB   ALA  28          2HB       ALA  28  -2.145  -4.108  -7.524
  214   3HB   ALA  28          3HB       ALA  28  -2.329  -5.860  -7.445
  215    H    TRP  29           H        TRP  29  -1.461  -2.618  -6.228
  216    HA   TRP  29           HA       TRP  29  -1.959  -0.449  -5.714
  217   1HB   TRP  29          2HB       TRP  29  -4.739  -1.312  -6.491
  218   2HB   TRP  29          1HB       TRP  29  -3.962   0.243  -6.759
  219    HD1  TRP  29           HD1      TRP  29  -4.943  -2.598  -8.692
  220    HE1  TRP  29          1HE       TRP  29  -3.503  -2.883 -10.808
  221    HE3  TRP  29          3HE       TRP  29  -1.049   0.458  -7.433
  222    HZ2  TRP  29          2HZ       TRP  29  -1.035  -1.935 -11.810
  223    HZ3  TRP  29          3HZ       TRP  29   0.815   0.714  -9.024
  224    HH2  TRP  29           HH2      TRP  29   0.819  -0.458 -11.166
  225    H    THR  30           H        THR  30  -1.614  -0.882  -3.400
  226    HA   THR  30           HA       THR  30  -3.295   0.426  -1.742
  227    HB   THR  30           HB       THR  30  -5.152  -0.911  -1.853
  228    HG1  THR  30          1HG       THR  30  -3.872  -1.140   0.312
  229   1HG2  THR  30          1HG2      THR  30  -4.913  -2.663  -3.222
  230   2HG2  THR  30          2HG2      THR  30  -4.666  -3.559  -1.723
  231   3HG2  THR  30          3HG2      THR  30  -3.278  -3.012  -2.664
  232    H    TYR  31           H        TYR  31  -2.602   0.429   0.412
  233    HA   TYR  31           HA       TYR  31  -0.436  -1.435   1.092
  234   1HB   TYR  31          2HB       TYR  31   1.062   0.241   1.691
  235   2HB   TYR  31          1HB       TYR  31   0.319   0.907   0.240
  236    HD1  TYR  31          1HD       TYR  31   1.452   1.811   3.324
  237    HD2  TYR  31          2HD       TYR  31  -2.047   2.184   0.933
  238    HE1  TYR  31          1HE       TYR  31   0.813   3.824   4.583
  239    HE2  TYR  31          2HE       TYR  31  -2.696   4.198   2.186
  240    HH   TYR  31           HH       TYR  31  -0.703   5.417   4.863
  241    H    CYS  32           H        CYS  32  -0.050  -1.686   3.356
  242    HA   CYS  32           HA       CYS  32  -2.405  -0.999   4.984
  243   1HB   CYS  32          2HB       CYS  32  -1.296  -3.479   4.489
  244   2HB   CYS  32          1HB       CYS  32  -0.624  -3.059   6.060
  245    H    GLU  33           H        GLU  33  -1.275  -1.643   7.480
  246    HA   GLU  33           HA       GLU  33   0.368   0.736   7.888
  247   1HB   GLU  33          2HB       GLU  33  -1.620  -0.694   9.431
  248   2HB   GLU  33          1HB       GLU  33  -0.151  -0.456  10.369
  249   1HG   GLU  33          2HG       GLU  33  -0.954   1.552  10.858
  250   2HG   GLU  33          1HG       GLU  33  -0.555   2.001   9.200
  251    H    ASN  34           H        ASN  34   0.495  -2.748   8.210
  252    HA   ASN  34           HA       ASN  34   3.124  -2.647   9.456
  253   1HB   ASN  34          2HB       ASN  34   1.048  -4.396   9.731
  254   2HB   ASN  34          1HB       ASN  34   2.071  -5.259   8.587
  255   1HD2  ASN  34          1HD2      ASN  34   1.386  -5.690  11.463
  256   2HD2  ASN  34          2HD2      ASN  34   2.910  -5.857  12.257
  257    H    ARG  35           H        ARG  35   4.948  -2.670   8.332
  258    HA   ARG  35           HA       ARG  35   4.929  -2.943   5.481
  259   1HB   ARG  35          2HB       ARG  35   6.682  -1.884   7.466
  260   2HB   ARG  35          1HB       ARG  35   7.588  -3.034   6.493
  261   1HG   ARG  35          2HG       ARG  35   5.931  -0.838   5.288
  262   2HG   ARG  35          1HG       ARG  35   7.628  -0.634   5.722
  263   1HD   ARG  35          2HD       ARG  35   8.164  -1.470   3.734
  264   2HD   ARG  35          1HD       ARG  35   7.517  -3.018   4.273
  265    HE   ARG  35           HE       ARG  35   5.838  -2.722   2.770
  266   1HH1  ARG  35          2HH1      ARG  35   7.015   0.417   3.716
  267   2HH1  ARG  35          1HH1      ARG  35   5.946   1.280   2.661
  268   1HH2  ARG  35          1HH2      ARG  35   4.427  -1.596   1.375
  269   2HH2  ARG  35          2HH2      ARG  35   4.475   0.135   1.330
  270    H    ASN  36           H        ASN  36   4.355  -5.260   7.422
  271    HA   ASN  36           HA       ASN  36   6.055  -7.209   6.025
  272   1HB   ASN  36          2HB       ASN  36   6.640  -6.720   8.521
  273   2HB   ASN  36          1HB       ASN  36   5.197  -7.669   8.865
  274   1HD2  ASN  36          1HD2      ASN  36   6.622  -8.653   6.008
  275   2HD2  ASN  36          2HD2      ASN  36   7.510 -10.007   6.610
  276    H    GLN  37           H        GLN  37   3.039  -6.080   6.539
  277    HA   GLN  37           HA       GLN  37   1.755  -8.717   6.365
  278   1HB   GLN  37          2HB       GLN  37   1.149  -6.546   7.949
  279   2HB   GLN  37          1HB       GLN  37   0.004  -6.387   6.627
  280   1HG   GLN  37          2HG       GLN  37  -0.955  -8.493   7.070
  281   2HG   GLN  37          1HG       GLN  37   0.368  -8.949   8.143
  282   1HE2  GLN  37          1HE2      GLN  37  -1.165  -9.418   9.767
  283   2HE2  GLN  37          2HE2      GLN  37  -1.909  -8.159  10.682
  284    H    LYS  38           H        LYS  38   0.204  -9.132   4.753
  285    HA   LYS  38           HA       LYS  38   0.546  -7.493   2.344
  286   1HB   LYS  38          2HB       LYS  38  -0.782 -10.136   2.181
  287   2HB   LYS  38          1HB       LYS  38   0.378  -9.390   1.093
  288   1HG   LYS  38          2HG       LYS  38   1.928 -10.729   1.923
  289   2HG   LYS  38          1HG       LYS  38   1.780  -9.876   3.461
  290   1HD   LYS  38          2HD       LYS  38   1.351 -12.015   4.153
  291   2HD   LYS  38          1HD       LYS  38  -0.287 -11.486   3.762
  292   1HE   LYS  38          2HE       LYS  38   0.387 -12.414   1.372
  293   2HE   LYS  38          1HE       LYS  38   1.493 -13.391   2.334
  294   1HZ   LYS  38          1HZ       LYS  38  -0.172 -14.632   3.119
  295   2HZ   LYS  38          2HZ       LYS  38  -1.077 -14.016   1.830
  296   3HZ   LYS  38          3HZ       LYS  38  -1.199 -13.309   3.361
  297    H    CYS  39           H        CYS  39  -1.310  -7.140   0.959
  298    HA   CYS  39           HA       CYS  39  -3.808  -6.933   2.507
  299   1HB   CYS  39          2HB       CYS  39  -2.954  -4.757   1.896
  300   2HB   CYS  39          1HB       CYS  39  -2.794  -5.249   0.215
  301    H    CYS  40           H        CYS  40  -5.056  -8.595   2.008
  302    HA   CYS  40           HA       CYS  40  -5.194  -9.547  -0.750
  303   1HB   CYS  40          2HB       CYS  40  -6.776 -11.195   0.825
  304   2HB   CYS  40          1HB       CYS  40  -5.124 -11.515   0.311
  305    H    GLU  41           H        GLU  41  -7.404 -10.258  -1.491
  306    HA   GLU  41           HA       GLU  41  -9.127  -8.137  -1.757
  307   1HB   GLU  41          2HB       GLU  41  -9.060 -10.795  -2.612
  308   2HB   GLU  41          1HB       GLU  41 -10.600 -10.633  -1.776
  309   1HG   GLU  41          2HG       GLU  41  -9.896  -8.488  -3.680
  310   2HG   GLU  41          1HG       GLU  41 -10.268 -10.071  -4.364
  311    H    TYR  42           HN       TYR  42  -9.869 -10.996   0.246
  312    HA   TYR  42           HA       TYR  42 -11.067  -9.221   2.248
  313   1HB   TYR  42          2HB       TYR  42 -13.086  -9.793   1.371
  314   2HB   TYR  42          1HB       TYR  42 -12.463 -11.255   0.615
  315    HD1  TYR  42          1HD       TYR  42 -14.071  -9.845   3.549
  316    HD2  TYR  42          2HD       TYR  42 -12.259 -13.340   1.935
  317    HE1  TYR  42          1HE       TYR  42 -15.092 -11.192   5.335
  318    HE2  TYR  42          2HE       TYR  42 -13.277 -14.696   3.716
  319    HH   TYR  42           HH       TYR  42 -14.257 -14.538   5.821
  Start of MODEL   11
    1   1H    ILE   1          1H        ILE   1   2.890   7.546 -15.066
    2   2H    ILE   1          2H        ILE   1   3.076   5.887 -14.663
    3   3H    ILE   1          3H        ILE   1   4.347   6.729 -15.450
    4    HA   ILE   1           HA       ILE   1   5.125   6.793 -13.390
    5    HB   ILE   1           HB       ILE   1   3.719   8.975 -12.357
    6   1HG1  ILE   1          2HG1      ILE   1   4.107   9.611 -15.242
    7   2HG1  ILE   1          1HG1      ILE   1   2.645   8.739 -14.790
    8   1HG2  ILE   1          1HG2      ILE   1   6.243   8.512 -13.834
    9   2HG2  ILE   1          2HG2      ILE   1   5.972   9.208 -12.236
   10   3HG2  ILE   1          3HG2      ILE   1   5.692  10.180 -13.681
   11   1HD1  ILE   1          1HD1      ILE   1   3.223  11.518 -14.574
   12   2HD1  ILE   1          2HD1      ILE   1   2.913  10.861 -12.967
   13   3HD1  ILE   1          3HD1      ILE   1   1.716  10.665 -14.248
   14    H    MET   2           H        MET   2   2.059   5.720 -13.624
   15    HA   MET   2           HA       MET   2   1.428   5.845 -10.779
   16   1HB   MET   2          2HB       MET   2  -0.265   4.317 -12.693
   17   2HB   MET   2          1HB       MET   2  -0.738   5.314 -11.327
   18   1HG   MET   2          2HG       MET   2   0.502   6.663 -13.656
   19   2HG   MET   2          1HG       MET   2  -1.146   6.059 -13.829
   20   1HE   MET   2          1HE       MET   2  -3.374   8.177 -12.402
   21   2HE   MET   2          2HE       MET   2  -2.927   7.250 -10.969
   22   3HE   MET   2          3HE       MET   2  -2.943   6.473 -12.553
   23    H    PHE   3           H        PHE   3   3.651   4.204 -12.050
   24    HA   PHE   3           HA       PHE   3   2.788   1.505 -11.319
   25   1HB   PHE   3          2HB       PHE   3   5.551   1.702 -12.165
   26   2HB   PHE   3          1HB       PHE   3   4.229   0.778 -12.870
   27    HD1  PHE   3          1HD       PHE   3   2.405   2.562 -13.987
   28    HD2  PHE   3          2HD       PHE   3   6.626   3.010 -13.692
   29    HE1  PHE   3          1HE       PHE   3   2.375   4.079 -15.925
   30    HE2  PHE   3          2HE       PHE   3   6.604   4.529 -15.627
   31    HZ   PHE   3           HZ       PHE   3   4.477   5.067 -16.745
   32    H    PHE   4           H        PHE   4   3.358   3.759  -9.411
   33    HA   PHE   4           HA       PHE   4   4.799   2.198  -7.488
   34   1HB   PHE   4          2HB       PHE   4   6.304   4.468  -7.218
   35   2HB   PHE   4          1HB       PHE   4   6.841   2.994  -8.014
   36    HD1  PHE   4          1HD       PHE   4   6.302   6.468  -8.372
   37    HD2  PHE   4          2HD       PHE   4   6.357   2.810 -10.545
   38    HE1  PHE   4          1HE       PHE   4   6.618   7.722 -10.467
   39    HE2  PHE   4          2HE       PHE   4   6.674   4.057 -12.643
   40    HZ   PHE   4           HZ       PHE   4   6.803   6.516 -12.606
   41    H    GLU   5           H        GLU   5   2.328   2.818  -7.126
   42    HA   GLU   5           HA       GLU   5   2.314   4.554  -4.868
   43   1HB   GLU   5          2HB       GLU   5   1.713   5.725  -7.410
   44   2HB   GLU   5          1HB       GLU   5   0.251   5.704  -6.435
   45   1HG   GLU   5          2HG       GLU   5   2.896   6.947  -5.724
   46   2HG   GLU   5          1HG       GLU   5   1.384   7.779  -6.089
   47    H    MET   6           H        MET   6   1.469   2.754  -3.828
   48    HA   MET   6           HA       MET   6  -0.866   1.401  -4.780
   49   1HB   MET   6          2HB       MET   6   0.567   1.335  -2.122
   50   2HB   MET   6          1HB       MET   6  -0.812   0.315  -2.511
   51   1HG   MET   6          2HG       MET   6   1.856   0.327  -3.905
   52   2HG   MET   6          1HG       MET   6   1.251  -0.905  -2.798
   53   1HE   MET   6          1HE       MET   6   2.335  -2.137  -4.994
   54   2HE   MET   6          2HE       MET   6   1.166  -2.932  -6.049
   55   3HE   MET   6          3HE       MET   6   1.089  -3.176  -4.303
   56    H    GLN   7           H        GLN   7  -2.088   1.190  -2.096
   57    HA   GLN   7           HA       GLN   7  -3.194   3.871  -1.705
   58   1HB   GLN   7          2HB       GLN   7  -4.653   1.506  -2.750
   59   2HB   GLN   7          1HB       GLN   7  -5.483   2.470  -1.535
   60   1HG   GLN   7          2HG       GLN   7  -5.406   4.410  -2.888
   61   2HG   GLN   7          1HG       GLN   7  -4.280   3.658  -4.016
   62   1HE2  GLN   7          1HE2      GLN   7  -7.254   2.411  -2.566
   63   2HE2  GLN   7          2HE2      GLN   7  -8.077   2.136  -4.058
   64    H    ALA   8           H        ALA   8  -5.328   1.864  -0.327
   65    HA   ALA   8           HA       ALA   8  -3.777   1.197   2.046
   66   1HB   ALA   8          1HB       ALA   8  -4.810   3.623   2.101
   67   2HB   ALA   8          2HB       ALA   8  -4.816   2.592   3.531
   68   3HB   ALA   8          3HB       ALA   8  -6.272   2.740   2.547
   69    H    CYS   9           H        CYS   9  -4.345  -0.775   2.647
   70    HA   CYS   9           HA       CYS   9  -6.114  -2.464   1.579
   71   1HB   CYS   9          2HB       CYS   9  -4.495  -2.769   3.604
   72   2HB   CYS   9          1HB       CYS   9  -5.926  -2.446   4.573
   73    H    TRP  10           H        TRP  10  -6.940   0.226   3.605
   74    HA   TRP  10           HA       TRP  10  -9.654  -0.682   4.053
   75   1HB   TRP  10          2HB       TRP  10  -9.503   2.026   4.715
   76   2HB   TRP  10          1HB       TRP  10  -9.377   0.668   5.821
   77    HD1  TRP  10           HD1      TRP  10  -6.681  -0.299   6.056
   78    HE1  TRP  10          1HE       TRP  10  -4.559   1.142   6.310
   79    HE3  TRP  10          3HE       TRP  10  -8.496   4.089   4.254
   80    HZ2  TRP  10          2HZ       TRP  10  -3.768   3.815   5.804
   81    HZ3  TRP  10          3HZ       TRP  10  -7.009   6.057   4.161
   82    HH2  TRP  10           HH2      TRP  10  -4.691   5.918   4.924
   83    H    SER  11           H        SER  11  -8.089   2.009   2.326
   84    HA   SER  11           HA       SER  11 -10.278   3.211   1.199
   85   1HB   SER  11          2HB       SER  11  -7.478   3.283   0.803
   86   2HB   SER  11          1HB       SER  11  -8.206   3.077  -0.790
   87    HG   SER  11           HG       SER  11  -9.018   5.025  -0.672
   88    H    HIS  12           H        HIS  12  -9.059   0.075   0.551
   89    HA   HIS  12           HA       HIS  12 -10.657  -0.121  -1.910
   90   1HB   HIS  12          2HB       HIS  12  -8.158  -1.360  -0.996
   91   2HB   HIS  12          1HB       HIS  12  -9.293  -2.500  -1.712
   92    HD1  HIS  12          1HD       HIS  12 -10.004  -2.013  -4.222
   93    HD2  HIS  12          2HD       HIS  12  -6.845   0.268  -2.781
   94    HE1  HIS  12          1HE       HIS  12  -8.910  -1.022  -6.257
   95    HE2  HIS  12          2HE       HIS  12  -6.949   0.285  -5.367
   96    H    SER  13           H        SER  13 -10.383  -1.249   1.357
   97    HA   SER  13           HA       SER  13 -11.984  -2.277   2.650
   98   1HB   SER  13          2HB       SER  13 -13.408  -1.849   0.177
   99   2HB   SER  13          1HB       SER  13 -13.819  -3.427   0.848
  100    HG   SER  13           HG       SER  13 -15.123  -2.260   2.030
  101    H    GLY  14           H        GLY  14  -9.975  -3.664   2.702
  102   1HA   GLY  14          2HA       GLY  14 -10.724  -6.387   1.875
  103   2HA   GLY  14          1HA       GLY  14  -9.121  -5.780   1.488
  104    H    VAL  15           H        VAL  15  -8.008  -7.273   2.713
  105    HA   VAL  15           HA       VAL  15  -8.180  -6.850   5.614
  106    HB   VAL  15           HB       VAL  15  -8.064  -9.534   4.238
  107   1HG1  VAL  15          1HG1      VAL  15  -7.534  -8.780   7.100
  108   2HG1  VAL  15          2HG1      VAL  15  -6.510  -9.704   6.002
  109   3HG1  VAL  15          3HG1      VAL  15  -8.003 -10.411   6.618
  110   1HG2  VAL  15          1HG2      VAL  15 -10.182  -7.969   5.360
  111   2HG2  VAL  15          2HG2      VAL  15  -9.984  -9.450   6.295
  112   3HG2  VAL  15          3HG2      VAL  15 -10.262  -9.537   4.556
  113    H    CYS  16           H        CYS  16  -6.220  -7.877   6.726
  114    HA   CYS  16           HA       CYS  16  -3.832  -7.834   5.035
  115   1HB   CYS  16          2HB       CYS  16  -4.281  -6.081   7.451
  116   2HB   CYS  16          1HB       CYS  16  -2.690  -6.388   6.765
  117    H    ARG  17           H        ARG  17  -2.792  -9.667   5.411
  118    HA   ARG  17           HA       ARG  17  -2.625 -10.651   8.179
  119   1HB   ARG  17          2HB       ARG  17  -2.512 -12.979   6.914
  120   2HB   ARG  17          1HB       ARG  17  -4.046 -12.261   7.391
  121   1HG   ARG  17          2HG       ARG  17  -3.999 -11.197   5.029
  122   2HG   ARG  17          1HG       ARG  17  -2.816 -12.458   4.678
  123   1HD   ARG  17          2HD       ARG  17  -4.691 -13.607   4.122
  124   2HD   ARG  17          1HD       ARG  17  -4.679 -13.961   5.848
  125    HE   ARG  17           HE       ARG  17  -6.358 -11.912   4.559
  126   1HH1  ARG  17          2HH1      ARG  17  -5.699 -14.144   7.147
  127   2HH1  ARG  17          1HH1      ARG  17  -7.218 -13.881   7.937
  128   1HH2  ARG  17          1HH2      ARG  17  -8.363 -11.555   5.590
  129   2HH2  ARG  17          2HH2      ARG  17  -8.733 -12.409   7.052
  130    H    ASP  18           H        ASP  18  -0.813 -12.278   8.432
  131    HA   ASP  18           HA       ASP  18   1.628 -11.253   8.120
  132   1HB   ASP  18          2HB       ASP  18   0.646 -13.768   8.803
  133   2HB   ASP  18          1HB       ASP  18   1.781 -14.090   7.497
  134    H    LYS  19           H        LYS  19   3.106 -10.884   6.589
  135    HA   LYS  19           HA       LYS  19   2.442 -10.753   3.902
  136   1HB   LYS  19          2HB       LYS  19   4.469  -9.797   3.649
  137   2HB   LYS  19          1HB       LYS  19   4.533  -9.882   5.404
  138   1HG   LYS  19          2HG       LYS  19   6.387 -11.072   5.220
  139   2HG   LYS  19          1HG       LYS  19   5.433 -12.370   4.502
  140   1HD   LYS  19          2HD       LYS  19   5.733 -11.201   2.284
  141   2HD   LYS  19          1HD       LYS  19   6.908 -10.158   3.088
  142   1HE   LYS  19          2HE       LYS  19   7.261 -12.789   2.026
  143   2HE   LYS  19          1HE       LYS  19   8.464 -11.692   2.701
  144   1HZ   LYS  19          1HZ       LYS  19   8.236 -13.912   3.823
  145   2HZ   LYS  19          2HZ       LYS  19   6.731 -13.390   4.398
  146   3HZ   LYS  19          3HZ       LYS  19   8.139 -12.566   4.844
  147    H    SER  20           H        SER  20   3.450 -13.460   5.746
  148    HA   SER  20           HA       SER  20   4.016 -14.997   3.304
  149   1HB   SER  20          2HB       SER  20   5.376 -14.872   5.747
  150   2HB   SER  20          1HB       SER  20   4.547 -16.428   5.763
  151    HG   SER  20           HG       SER  20   5.567 -16.157   3.360
  152    H    GLU  21           H        GLU  21   1.360 -14.246   4.600
  153    HA   GLU  21           HA       GLU  21   0.185 -16.542   5.684
  154   1HB   GLU  21          2HB       GLU  21  -0.609 -13.952   5.274
  155   2HB   GLU  21          1HB       GLU  21  -1.616 -14.828   4.132
  156   1HG   GLU  21          2HG       GLU  21  -1.551 -16.143   6.698
  157   2HG   GLU  21          1HG       GLU  21  -2.071 -14.466   6.847
  158    H    ARG  22           H        ARG  22  -1.278 -17.965   4.778
  159    HA   ARG  22           HA       ARG  22  -0.635 -18.731   2.049
  160   1HB   ARG  22          2HB       ARG  22  -1.523 -20.098   4.491
  161   2HB   ARG  22          1HB       ARG  22  -2.279 -20.683   3.018
  162   1HG   ARG  22          2HG       ARG  22   0.549 -20.361   2.637
  163   2HG   ARG  22          1HG       ARG  22   0.217 -21.376   4.041
  164   1HD   ARG  22          2HD       ARG  22   0.350 -22.345   1.555
  165   2HD   ARG  22          1HD       ARG  22  -0.696 -23.039   2.796
  166    HE   ARG  22           HE       ARG  22  -1.762 -20.998   0.977
  167   1HH1  ARG  22          2HH1      ARG  22  -1.730 -24.271   2.166
  168   2HH1  ARG  22          1HH1      ARG  22  -3.210 -24.708   1.380
  169   1HH2  ARG  22          1HH2      ARG  22  -3.712 -21.562  -0.061
  170   2HH2  ARG  22          2HH2      ARG  22  -4.337 -23.168   0.114
  171    H    ASN  23           H        ASN  23  -3.129 -17.268   3.847
  172    HA   ASN  23           HA       ASN  23  -4.981 -17.570   1.574
  173   1HB   ASN  23          2HB       ASN  23  -5.527 -18.581   3.973
  174   2HB   ASN  23          1HB       ASN  23  -6.037 -16.924   4.287
  175   1HD2  ASN  23          1HD2      ASN  23  -6.486 -19.659   2.115
  176   2HD2  ASN  23          2HD2      ASN  23  -8.112 -19.277   1.678
  177    H    CYS  24           H        CYS  24  -3.514 -15.631   0.988
  178    HA   CYS  24           HA       CYS  24  -4.910 -13.200   1.875
  179   1HB   CYS  24          2HB       CYS  24  -2.454 -13.645   2.770
  180   2HB   CYS  24          1HB       CYS  24  -2.010 -13.030   1.180
  181    H    LYS  25           H        LYS  25  -6.154 -13.107   0.026
  182    HA   LYS  25           HA       LYS  25  -5.292 -13.509  -2.592
  183   1HB   LYS  25          2HB       LYS  25  -7.478 -11.700  -1.551
  184   2HB   LYS  25          1HB       LYS  25  -7.265 -12.130  -3.243
  185   1HG   LYS  25          2HG       LYS  25  -7.375 -14.582  -2.263
  186   2HG   LYS  25          1HG       LYS  25  -8.263 -13.763  -0.976
  187   1HD   LYS  25          2HD       LYS  25 -10.082 -13.640  -2.247
  188   2HD   LYS  25          1HD       LYS  25  -9.177 -12.835  -3.532
  189   1HE   LYS  25          2HE       LYS  25  -9.467 -14.663  -4.764
  190   2HE   LYS  25          1HE       LYS  25  -8.385 -15.504  -3.655
  191   1HZ   LYS  25          1HZ       LYS  25 -10.452 -16.699  -3.879
  192   2HZ   LYS  25          2HZ       LYS  25 -11.342 -15.334  -3.423
  193   3HZ   LYS  25          3HZ       LYS  25 -10.322 -16.092  -2.305
  194    HA   PRO  26           HA       PRO  26  -2.236 -10.158  -2.707
  195   1HB   PRO  26          2HB       PRO  26  -2.517 -11.028  -5.558
  196   2HB   PRO  26          1HB       PRO  26  -1.054 -10.658  -4.636
  197   1HG   PRO  26          2HG       PRO  26  -1.779 -13.183  -5.088
  198   2HG   PRO  26          1HG       PRO  26  -1.068 -12.697  -3.538
  199   1HD   PRO  26          2HD       PRO  26  -3.873 -13.403  -4.191
  200   2HD   PRO  26          1HD       PRO  26  -2.997 -13.558  -2.658
  201    H    MET  27           H        MET  27  -3.537  -8.376  -2.312
  202    HA   MET  27           HA       MET  27  -5.152  -7.370  -4.552
  203   1HB   MET  27          2HB       MET  27  -5.976  -7.692  -2.042
  204   2HB   MET  27          1HB       MET  27  -5.251  -6.101  -1.859
  205   1HG   MET  27          2HG       MET  27  -7.803  -6.539  -2.603
  206   2HG   MET  27          1HG       MET  27  -6.888  -5.084  -2.989
  207   1HE   MET  27          1HE       MET  27  -9.147  -7.402  -5.832
  208   2HE   MET  27          2HE       MET  27  -9.449  -5.852  -5.048
  209   3HE   MET  27          3HE       MET  27  -9.240  -7.306  -4.073
  210    H    ALA  28           H        ALA  28  -3.170  -6.685  -5.633
  211    HA   ALA  28           HA       ALA  28  -1.248  -4.977  -4.701
  212   1HB   ALA  28          1HB       ALA  28  -0.597  -4.834  -6.843
  213   2HB   ALA  28          2HB       ALA  28  -2.185  -4.298  -7.393
  214   3HB   ALA  28          3HB       ALA  28  -1.876  -6.014  -7.135
  215    H    TRP  29           H        TRP  29  -1.202  -2.628  -6.001
  216    HA   TRP  29           HA       TRP  29  -1.679  -0.456  -5.475
  217   1HB   TRP  29          2HB       TRP  29  -4.394  -1.348  -6.446
  218   2HB   TRP  29          1HB       TRP  29  -3.705   0.266  -6.537
  219    HD1  TRP  29           HD1      TRP  29  -4.411  -2.400  -8.778
  220    HE1  TRP  29          1HE       TRP  29  -2.817  -2.440 -10.799
  221    HE3  TRP  29          3HE       TRP  29  -0.724   0.634  -6.960
  222    HZ2  TRP  29          2HZ       TRP  29  -0.322  -1.330 -11.527
  223    HZ3  TRP  29          3HZ       TRP  29   1.234   1.096  -8.379
  224    HH2  TRP  29           HH2      TRP  29   1.430   0.131 -10.614
  225    H    THR  30           H        THR  30  -1.460  -0.921  -3.145
  226    HA   THR  30           HA       THR  30  -3.141   0.425  -1.547
  227    HB   THR  30           HB       THR  30  -5.078  -0.782  -1.884
  228    HG1  THR  30          1HG       THR  30  -4.533  -0.820   0.356
  229   1HG2  THR  30          1HG2      THR  30  -4.851  -3.435  -1.648
  230   2HG2  THR  30          2HG2      THR  30  -3.286  -3.065  -2.372
  231   3HG2  THR  30          3HG2      THR  30  -4.773  -2.584  -3.190
  232    H    TYR  31           H        TYR  31  -2.465   0.445   0.565
  233    HA   TYR  31           HA       TYR  31  -0.567  -1.650   1.382
  234   1HB   TYR  31          2HB       TYR  31   1.007  -0.087   2.166
  235   2HB   TYR  31          1HB       TYR  31   0.510   0.547   0.600
  236    HD1  TYR  31          1HD       TYR  31  -0.771   0.777   4.113
  237    HD2  TYR  31          2HD       TYR  31   0.331   2.838   0.557
  238    HE1  TYR  31          1HE       TYR  31  -1.365   2.915   5.174
  239    HE2  TYR  31          2HE       TYR  31  -0.259   4.980   1.610
  240    HH   TYR  31           HH       TYR  31  -0.696   5.985   3.621
  241    H    CYS  32           H        CYS  32  -0.235  -1.761   3.733
  242    HA   CYS  32           HA       CYS  32  -2.689  -0.992   5.171
  243   1HB   CYS  32          2HB       CYS  32  -1.645  -3.510   4.817
  244   2HB   CYS  32          1HB       CYS  32  -1.021  -3.067   6.404
  245    H    GLU  33           H        GLU  33  -1.676  -1.659   7.746
  246    HA   GLU  33           HA       GLU  33  -0.221   0.783   8.298
  247   1HB   GLU  33          2HB       GLU  33  -0.950  -1.269  10.363
  248   2HB   GLU  33          1HB       GLU  33  -0.801   0.473  10.545
  249   1HG   GLU  33          2HG       GLU  33  -2.883  -0.466   8.683
  250   2HG   GLU  33          1HG       GLU  33  -3.145  -0.816  10.391
  251    H    ASN  34           H        ASN  34   0.313  -2.697   8.487
  252    HA   ASN  34           HA       ASN  34   3.034  -2.269   9.469
  253   1HB   ASN  34          2HB       ASN  34   1.422  -4.079  10.361
  254   2HB   ASN  34          1HB       ASN  34   1.792  -4.947   8.875
  255   1HD2  ASN  34          1HD2      ASN  34   4.422  -4.481   8.519
  256   2HD2  ASN  34          2HD2      ASN  34   5.336  -5.146   9.824
  257    H    ARG  35           H        ARG  35   4.773  -2.356   8.202
  258    HA   ARG  35           HA       ARG  35   4.460  -2.686   5.367
  259   1HB   ARG  35          2HB       ARG  35   6.375  -1.521   7.144
  260   2HB   ARG  35          1HB       ARG  35   7.209  -2.640   6.074
  261   1HG   ARG  35          2HG       ARG  35   5.378  -1.087   4.536
  262   2HG   ARG  35          1HG       ARG  35   6.354  -0.008   5.535
  263   1HD   ARG  35          2HD       ARG  35   7.802  -2.192   4.176
  264   2HD   ARG  35          1HD       ARG  35   7.135  -0.936   3.132
  265    HE   ARG  35           HE       ARG  35   9.078  -0.479   5.300
  266   1HH1  ARG  35          2HH1      ARG  35   7.553   0.451   2.311
  267   2HH1  ARG  35          1HH1      ARG  35   8.619   1.788   2.031
  268   1HH2  ARG  35          1HH2      ARG  35  10.486   1.279   4.943
  269   2HH2  ARG  35          2HH2      ARG  35  10.287   2.259   3.529
  270    H    ASN  36           H        ASN  36   4.168  -4.974   7.387
  271    HA   ASN  36           HA       ASN  36   5.853  -6.878   5.909
  272   1HB   ASN  36          2HB       ASN  36   6.474  -6.316   8.412
  273   2HB   ASN  36          1HB       ASN  36   5.142  -7.414   8.765
  274   1HD2  ASN  36          1HD2      ASN  36   7.907  -7.271   6.543
  275   2HD2  ASN  36          2HD2      ASN  36   8.428  -8.895   6.821
  276    H    GLN  37           H        GLN  37   2.839  -5.849   6.461
  277    HA   GLN  37           HA       GLN  37   1.655  -8.537   6.319
  278   1HB   GLN  37          2HB       GLN  37   1.074  -6.488   8.066
  279   2HB   GLN  37          1HB       GLN  37  -0.174  -6.316   6.841
  280   1HG   GLN  37          2HG       GLN  37  -0.818  -8.648   7.165
  281   2HG   GLN  37          1HG       GLN  37   0.443  -8.823   8.385
  282   1HE2  GLN  37          1HE2      GLN  37  -2.206  -9.376   8.926
  283   2HE2  GLN  37          2HE2      GLN  37  -2.812  -8.210  10.047
  284    H    LYS  38           H        LYS  38   0.226  -9.028   4.691
  285    HA   LYS  38           HA       LYS  38   0.202  -7.160   2.433
  286   1HB   LYS  38          2HB       LYS  38  -0.799  -9.938   2.130
  287   2HB   LYS  38          1HB       LYS  38   0.155  -8.959   1.024
  288   1HG   LYS  38          2HG       LYS  38   2.026  -9.282   2.819
  289   2HG   LYS  38          1HG       LYS  38   1.043 -10.670   3.292
  290   1HD   LYS  38          2HD       LYS  38   1.697 -10.282   0.409
  291   2HD   LYS  38          1HD       LYS  38   2.945 -10.906   1.490
  292   1HE   LYS  38          2HE       LYS  38   2.000 -12.921   1.530
  293   2HE   LYS  38          1HE       LYS  38   0.426 -12.238   1.938
  294   1HZ   LYS  38          1HZ       LYS  38  -0.223 -12.203  -0.223
  295   2HZ   LYS  38          2HZ       LYS  38   0.842 -13.514  -0.310
  296   3HZ   LYS  38          3HZ       LYS  38   1.342 -11.982  -0.826
  297    H    CYS  39           H        CYS  39  -1.751  -6.930   1.165
  298    HA   CYS  39           HA       CYS  39  -4.159  -7.093   2.841
  299   1HB   CYS  39          2HB       CYS  39  -3.462  -4.827   2.097
  300   2HB   CYS  39          1HB       CYS  39  -3.673  -5.340   0.427
  301    H    CYS  40           H        CYS  40  -5.218  -8.891   2.397
  302    HA   CYS  40           HA       CYS  40  -5.382  -9.858  -0.351
  303   1HB   CYS  40          2HB       CYS  40  -6.683 -11.637   1.387
  304   2HB   CYS  40          1HB       CYS  40  -5.094 -11.826   0.656
  305    H    GLU  41           H        GLU  41  -7.286 -10.094  -1.439
  306    HA   GLU  41           HA       GLU  41  -9.312  -8.407  -1.378
  307   1HB   GLU  41          2HB       GLU  41  -8.932 -10.873  -2.563
  308   2HB   GLU  41          1HB       GLU  41 -10.417 -11.101  -1.651
  309   1HG   GLU  41          2HG       GLU  41  -9.884  -8.993  -3.730
  310   2HG   GLU  41          1HG       GLU  41 -10.930 -10.402  -3.893
  311    H    TYR  42           HN       TYR  42  -9.460 -11.435   0.505
  312    HA   TYR  42           HA       TYR  42 -11.058 -10.028   2.516
  313   1HB   TYR  42          2HB       TYR  42 -12.883 -11.030   1.595
  314   2HB   TYR  42          1HB       TYR  42 -11.935 -12.309   0.843
  315    HD1  TYR  42          1HD       TYR  42 -12.087 -14.454   1.702
  316    HD2  TYR  42          2HD       TYR  42 -13.057 -11.163   4.216
  317    HE1  TYR  42          1HE       TYR  42 -12.794 -16.015   3.463
  318    HE2  TYR  42          2HE       TYR  42 -13.767 -12.715   5.985
  319    HH   TYR  42           HH       TYR  42 -13.202 -16.138   5.763
  Start of MODEL   12
    1   1H    ILE   1          1H        ILE   1   8.649   5.246 -10.423
    2   2H    ILE   1          2H        ILE   1  10.087   5.891 -11.103
    3   3H    ILE   1          3H        ILE   1   8.880   6.944 -10.485
    4    HA   ILE   1           HA       ILE   1  10.932   5.451  -9.143
    5    HB   ILE   1           HB       ILE   1  10.224   7.381  -7.450
    6   1HG1  ILE   1          2HG1      ILE   1   9.659   9.385  -9.027
    7   2HG1  ILE   1          1HG1      ILE   1   9.028   8.139 -10.097
    8   1HG2  ILE   1          1HG2      ILE   1  11.826   8.873  -8.680
    9   2HG2  ILE   1          2HG2      ILE   1  11.833   7.678  -9.976
   10   3HG2  ILE   1          3HG2      ILE   1  12.411   7.238  -8.370
   11   1HD1  ILE   1          1HD1      ILE   1   7.137   8.636  -8.964
   12   2HD1  ILE   1          2HD1      ILE   1   8.000   9.115  -7.504
   13   3HD1  ILE   1          3HD1      ILE   1   7.780   7.406  -7.876
   14    H    MET   2           H        MET   2   8.709   3.816  -9.368
   15    HA   MET   2           HA       MET   2   6.664   3.582  -7.808
   16   1HB   MET   2          2HB       MET   2   8.725   1.505  -7.190
   17   2HB   MET   2          1HB       MET   2   7.014   1.308  -7.542
   18   1HG   MET   2          2HG       MET   2   7.502   0.820  -9.636
   19   2HG   MET   2          1HG       MET   2   8.231   2.412  -9.841
   20   1HE   MET   2          1HE       MET   2  11.790   1.742  -8.443
   21   2HE   MET   2          2HE       MET   2  10.391   2.815  -8.395
   22   3HE   MET   2          3HE       MET   2  11.284   2.595  -9.900
   23    H    PHE   3           H        PHE   3   6.004   3.552  -5.692
   24    HA   PHE   3           HA       PHE   3   8.066   4.117  -3.667
   25   1HB   PHE   3          2HB       PHE   3   5.985   5.817  -4.515
   26   2HB   PHE   3          1HB       PHE   3   5.508   5.216  -2.930
   27    HD1  PHE   3          1HD       PHE   3   5.764   7.888  -2.763
   28    HD2  PHE   3          2HD       PHE   3   8.960   5.086  -2.975
   29    HE1  PHE   3          1HE       PHE   3   7.261   9.520  -1.694
   30    HE2  PHE   3          2HE       PHE   3  10.462   6.715  -1.906
   31    HZ   PHE   3           HZ       PHE   3   9.614   8.935  -1.263
   32    H    PHE   4           H        PHE   4   5.248   4.293  -2.106
   33    HA   PHE   4           HA       PHE   4   4.617   1.495  -1.832
   34   1HB   PHE   4          2HB       PHE   4   5.127   1.561   0.673
   35   2HB   PHE   4          1HB       PHE   4   6.505   1.409  -0.413
   36    HD1  PHE   4          1HD       PHE   4   7.915   2.179   1.484
   37    HD2  PHE   4          2HD       PHE   4   4.905   4.637  -0.254
   38    HE1  PHE   4          1HE       PHE   4   8.943   4.163   2.515
   39    HE2  PHE   4          2HE       PHE   4   5.928   6.624   0.773
   40    HZ   PHE   4           HZ       PHE   4   7.950   6.388   2.160
   41    H    GLU   5           H        GLU   5   3.570   4.426  -2.140
   42    HA   GLU   5           HA       GLU   5   1.473   4.272  -0.085
   43   1HB   GLU   5          2HB       GLU   5   2.633   6.559  -1.647
   44   2HB   GLU   5          1HB       GLU   5   1.049   6.696  -0.898
   45   1HG   GLU   5          2HG       GLU   5   3.711   6.765   0.299
   46   2HG   GLU   5          1HG       GLU   5   2.189   7.456   0.862
   47    H    MET   6           H        MET   6   0.842   2.471  -1.788
   48    HA   MET   6           HA       MET   6  -0.439   3.343  -4.176
   49   1HB   MET   6          2HB       MET   6  -0.348   0.789  -2.621
   50   2HB   MET   6          1HB       MET   6  -1.571   0.983  -3.869
   51   1HG   MET   6          2HG       MET   6   0.919   1.805  -4.945
   52   2HG   MET   6          1HG       MET   6   1.149   0.251  -4.145
   53   1HE   MET   6          1HE       MET   6   0.070  -2.231  -6.428
   54   2HE   MET   6          2HE       MET   6   1.087  -1.621  -5.121
   55   3HE   MET   6          3HE       MET   6   1.485  -1.245  -6.797
   56    H    GLN   7           H        GLN   7  -2.390   1.320  -2.194
   57    HA   GLN   7           HA       GLN   7  -4.192   3.531  -1.527
   58   1HB   GLN   7          2HB       GLN   7  -4.724   1.310  -3.395
   59   2HB   GLN   7          1HB       GLN   7  -5.989   1.606  -2.210
   60   1HG   GLN   7          2HG       GLN   7  -4.989   3.372  -4.391
   61   2HG   GLN   7          1HG       GLN   7  -6.644   2.927  -3.976
   62   1HE2  GLN   7          1HE2      GLN   7  -5.172   5.544  -4.336
   63   2HE2  GLN   7          2HE2      GLN   7  -5.572   6.451  -2.921
   64    H    ALA   8           H        ALA   8  -4.081   3.416   0.638
   65    HA   ALA   8           HA       ALA   8  -3.481   1.490   2.364
   66   1HB   ALA   8          1HB       ALA   8  -4.856   3.888   2.562
   67   2HB   ALA   8          2HB       ALA   8  -4.294   2.884   3.899
   68   3HB   ALA   8          3HB       ALA   8  -5.941   2.706   3.295
   69    H    CYS   9           H        CYS   9  -4.023  -0.555   2.657
   70    HA   CYS   9           HA       CYS   9  -5.752  -2.115   1.373
   71   1HB   CYS   9          2HB       CYS   9  -4.183  -2.721   3.315
   72   2HB   CYS   9          1HB       CYS   9  -5.551  -2.389   4.367
   73    H    TRP  10           H        TRP  10  -6.644   0.243   3.776
   74    HA   TRP  10           HA       TRP  10  -9.335  -0.706   4.100
   75   1HB   TRP  10          2HB       TRP  10  -9.226   1.990   4.872
   76   2HB   TRP  10          1HB       TRP  10  -9.125   0.584   5.918
   77    HD1  TRP  10           HD1      TRP  10  -6.425  -0.404   6.138
   78    HE1  TRP  10          1HE       TRP  10  -4.312   1.025   6.513
   79    HE3  TRP  10          3HE       TRP  10  -8.223   4.078   4.557
   80    HZ2  TRP  10          2HZ       TRP  10  -3.521   3.725   6.172
   81    HZ3  TRP  10          3HZ       TRP  10  -6.741   6.050   4.607
   82    HH2  TRP  10           HH2      TRP  10  -4.437   5.873   5.399
   83    H    SER  11           H        SER  11  -7.900   2.168   2.550
   84    HA   SER  11           HA       SER  11 -10.004   3.443   1.498
   85   1HB   SER  11          2HB       SER  11  -7.422   3.710   1.047
   86   2HB   SER  11          1HB       SER  11  -7.795   2.809  -0.422
   87    HG   SER  11           HG       SER  11  -9.585   4.801   0.022
   88    H    HIS  12           H        HIS  12  -8.845   0.305   0.479
   89    HA   HIS  12           HA       HIS  12 -10.912   0.187  -1.602
   90   1HB   HIS  12          2HB       HIS  12  -9.593  -1.266  -2.751
   91   2HB   HIS  12          1HB       HIS  12  -8.318  -0.519  -1.795
   92    HD1  HIS  12          1HD       HIS  12 -10.754  -3.374  -1.104
   93    HD2  HIS  12          2HD       HIS  12  -6.706  -2.469  -0.873
   94    HE1  HIS  12          1HE       HIS  12  -9.658  -5.432  -0.164
   95    HE2  HIS  12          2HE       HIS  12  -7.199  -4.887  -0.098
   96    H    SER  13           H        SER  13 -10.139  -0.917   1.536
   97    HA   SER  13           HA       SER  13 -11.398  -2.096   3.039
   98   1HB   SER  13          2HB       SER  13 -13.293  -1.342   1.209
   99   2HB   SER  13          1HB       SER  13 -13.424  -3.100   1.160
  100    HG   SER  13           HG       SER  13 -13.680  -3.055   3.441
  101    H    GLY  14           H        GLY  14  -9.578  -3.539   3.023
  102   1HA   GLY  14          2HA       GLY  14 -10.300  -6.170   1.914
  103   2HA   GLY  14          1HA       GLY  14  -8.683  -5.529   1.658
  104    H    VAL  15           H        VAL  15  -7.608  -7.130   2.777
  105    HA   VAL  15           HA       VAL  15  -7.921  -7.009   5.696
  106    HB   VAL  15           HB       VAL  15  -7.368  -9.615   4.296
  107   1HG1  VAL  15          1HG1      VAL  15  -8.599  -9.275   6.997
  108   2HG1  VAL  15          2HG1      VAL  15  -6.858  -9.088   6.793
  109   3HG1  VAL  15          3HG1      VAL  15  -7.636 -10.610   6.362
  110   1HG2  VAL  15          1HG2      VAL  15  -9.489  -9.315   3.492
  111   2HG2  VAL  15          2HG2      VAL  15  -9.973  -8.283   4.837
  112   3HG2  VAL  15          3HG2      VAL  15  -9.856 -10.027   5.062
  113    H    CYS  16           H        CYS  16  -6.037  -7.312   6.882
  114    HA   CYS  16           HA       CYS  16  -3.551  -7.330   5.299
  115   1HB   CYS  16          2HB       CYS  16  -4.366  -5.742   7.700
  116   2HB   CYS  16          1HB       CYS  16  -2.665  -6.120   7.456
  117    H    ARG  17           H        ARG  17  -2.754  -9.328   5.451
  118    HA   ARG  17           HA       ARG  17  -2.658 -10.584   8.113
  119   1HB   ARG  17          2HB       ARG  17  -2.103 -12.517   6.126
  120   2HB   ARG  17          1HB       ARG  17  -3.521 -12.406   7.161
  121   1HG   ARG  17          2HG       ARG  17  -3.443 -10.697   4.737
  122   2HG   ARG  17          1HG       ARG  17  -3.702 -12.431   4.526
  123   1HD   ARG  17          2HD       ARG  17  -5.379 -10.452   6.038
  124   2HD   ARG  17          1HD       ARG  17  -5.854 -11.505   4.707
  125    HE   ARG  17           HE       ARG  17  -5.767 -13.364   6.238
  126   1HH1  ARG  17          2HH1      ARG  17  -5.577 -10.198   7.677
  127   2HH1  ARG  17          1HH1      ARG  17  -6.091 -10.736   9.242
  128   1HH2  ARG  17          1HH2      ARG  17  -6.445 -14.084   8.294
  129   2HH2  ARG  17          2HH2      ARG  17  -6.584 -12.947   9.591
  130    H    ASP  18           H        ASP  18  -0.801 -12.460   7.862
  131    HA   ASP  18           HA       ASP  18   1.636 -10.971   7.850
  132   1HB   ASP  18          2HB       ASP  18   0.791 -13.715   8.569
  133   2HB   ASP  18          1HB       ASP  18   2.466 -13.541   8.052
  134    H    LYS  19           H        LYS  19   3.212 -10.900   6.363
  135    HA   LYS  19           HA       LYS  19   2.735 -11.284   3.688
  136   1HB   LYS  19          2HB       LYS  19   5.298 -11.356   3.491
  137   2HB   LYS  19          1HB       LYS  19   4.567  -9.930   4.219
  138   1HG   LYS  19          2HG       LYS  19   6.650 -11.097   5.304
  139   2HG   LYS  19          1HG       LYS  19   5.368 -10.407   6.301
  140   1HD   LYS  19          2HD       LYS  19   4.992 -12.394   7.221
  141   2HD   LYS  19          1HD       LYS  19   4.657 -13.083   5.631
  142   1HE   LYS  19          2HE       LYS  19   6.675 -13.889   7.234
  143   2HE   LYS  19          1HE       LYS  19   6.689 -14.040   5.478
  144   1HZ   LYS  19          1HZ       LYS  19   8.348 -12.456   7.162
  145   2HZ   LYS  19          2HZ       LYS  19   7.597 -11.503   5.983
  146   3HZ   LYS  19          3HZ       LYS  19   8.534 -12.834   5.522
  147    H    SER  20           H        SER  20   2.949 -13.706   5.921
  148    HA   SER  20           HA       SER  20   3.852 -15.660   3.908
  149   1HB   SER  20          2HB       SER  20   4.832 -15.248   6.483
  150   2HB   SER  20          1HB       SER  20   3.806 -16.674   6.630
  151    HG   SER  20           HG       SER  20   5.954 -17.209   6.037
  152    H    GLU  21           H        GLU  21   1.119 -14.481   4.608
  153    HA   GLU  21           HA       GLU  21  -0.444 -16.500   5.764
  154   1HB   GLU  21          2HB       GLU  21  -0.929 -13.955   5.166
  155   2HB   GLU  21          1HB       GLU  21  -1.643 -14.684   3.736
  156   1HG   GLU  21          2HG       GLU  21  -2.565 -16.155   5.945
  157   2HG   GLU  21          1HG       GLU  21  -2.707 -14.450   6.371
  158    H    ARG  22           H        ARG  22  -1.886 -17.906   4.804
  159    HA   ARG  22           HA       ARG  22  -0.961 -19.002   2.267
  160   1HB   ARG  22          2HB       ARG  22  -2.221 -20.060   4.706
  161   2HB   ARG  22          1HB       ARG  22  -2.795 -20.773   3.209
  162   1HG   ARG  22          2HG       ARG  22  -0.003 -20.679   3.002
  163   2HG   ARG  22          1HG       ARG  22  -0.363 -21.251   4.632
  164   1HD   ARG  22          2HD       ARG  22  -1.155 -23.216   3.890
  165   2HD   ARG  22          1HD       ARG  22  -2.022 -22.465   2.551
  166    HE   ARG  22           HE       ARG  22  -0.107 -22.687   1.212
  167   1HH1  ARG  22          2HH1      ARG  22   0.370 -23.935   4.427
  168   2HH1  ARG  22          1HH1      ARG  22   1.788 -24.837   4.009
  169   1HH2  ARG  22          1HH2      ARG  22   1.759 -23.870   0.648
  170   2HH2  ARG  22          2HH2      ARG  22   2.578 -24.800   1.859
  171    H    ASN  23           H        ASN  23  -3.491 -17.134   3.519
  172    HA   ASN  23           HA       ASN  23  -5.042 -17.557   1.058
  173   1HB   ASN  23          2HB       ASN  23  -6.082 -18.662   3.100
  174   2HB   ASN  23          1HB       ASN  23  -6.332 -17.039   3.736
  175   1HD2  ASN  23          1HD2      ASN  23  -6.646 -18.356   0.465
  176   2HD2  ASN  23          2HD2      ASN  23  -8.303 -17.914   0.259
  177    H    CYS  24           H        CYS  24  -3.218 -15.588   1.150
  178    HA   CYS  24           HA       CYS  24  -4.725 -13.142   1.784
  179   1HB   CYS  24          2HB       CYS  24  -2.308 -13.665   2.689
  180   2HB   CYS  24          1HB       CYS  24  -1.813 -13.111   1.094
  181    H    LYS  25           H        LYS  25  -5.979 -13.437  -0.177
  182    HA   LYS  25           HA       LYS  25  -5.082 -13.664  -2.749
  183   1HB   LYS  25          2HB       LYS  25  -7.383 -12.159  -1.552
  184   2HB   LYS  25          1HB       LYS  25  -7.066 -12.045  -3.277
  185   1HG   LYS  25          2HG       LYS  25  -7.602 -14.248  -3.661
  186   2HG   LYS  25          1HG       LYS  25  -7.251 -14.731  -2.001
  187   1HD   LYS  25          2HD       LYS  25  -9.283 -13.942  -1.207
  188   2HD   LYS  25          1HD       LYS  25  -9.503 -12.846  -2.570
  189   1HE   LYS  25          2HE       LYS  25  -9.354 -15.660  -3.339
  190   2HE   LYS  25          1HE       LYS  25 -10.709 -15.290  -2.272
  191   1HZ   LYS  25          1HZ       LYS  25 -10.971 -13.301  -3.955
  192   2HZ   LYS  25          2HZ       LYS  25 -11.648 -14.819  -4.269
  193   3HZ   LYS  25          3HZ       LYS  25 -10.188 -14.379  -5.000
  194    HA   PRO  26           HA       PRO  26  -2.152 -10.206  -2.856
  195   1HB   PRO  26          2HB       PRO  26  -2.349 -11.065  -5.714
  196   2HB   PRO  26          1HB       PRO  26  -0.916 -10.676  -4.756
  197   1HG   PRO  26          2HG       PRO  26  -1.570 -13.210  -5.260
  198   2HG   PRO  26          1HG       PRO  26  -0.908 -12.731  -3.687
  199   1HD   PRO  26          2HD       PRO  26  -3.690 -13.468  -4.424
  200   2HD   PRO  26          1HD       PRO  26  -2.838 -13.669  -2.881
  201    H    MET  27           H        MET  27  -3.468  -8.436  -2.508
  202    HA   MET  27           HA       MET  27  -5.238  -7.586  -4.683
  203   1HB   MET  27          2HB       MET  27  -5.333  -7.398  -1.815
  204   2HB   MET  27          1HB       MET  27  -5.418  -5.788  -2.516
  205   1HG   MET  27          2HG       MET  27  -7.341  -8.025  -2.653
  206   2HG   MET  27          1HG       MET  27  -7.622  -6.291  -2.507
  207   1HE   MET  27          1HE       MET  27  -9.571  -7.911  -5.055
  208   2HE   MET  27          2HE       MET  27  -8.519  -8.949  -4.090
  209   3HE   MET  27          3HE       MET  27  -8.328  -8.884  -5.842
  210    H    ALA  28           H        ALA  28  -4.138  -6.482  -6.183
  211    HA   ALA  28           HA       ALA  28  -1.837  -4.927  -5.704
  212   1HB   ALA  28          1HB       ALA  28  -2.101  -4.163  -8.002
  213   2HB   ALA  28          2HB       ALA  28  -3.741  -4.811  -8.041
  214   3HB   ALA  28          3HB       ALA  28  -2.364  -5.903  -7.892
  215    H    TRP  29           H        TRP  29  -1.927  -2.558  -6.698
  216    HA   TRP  29           HA       TRP  29  -2.286  -0.414  -5.946
  217   1HB   TRP  29          2HB       TRP  29  -5.165  -0.953  -6.576
  218   2HB   TRP  29          1HB       TRP  29  -4.176   0.449  -6.979
  219    HD1  TRP  29           HD1      TRP  29  -5.818  -2.117  -8.764
  220    HE1  TRP  29          1HE       TRP  29  -4.611  -2.757 -10.947
  221    HE3  TRP  29          3HE       TRP  29  -1.252  -0.055  -7.789
  222    HZ2  TRP  29          2HZ       TRP  29  -2.053  -2.432 -12.100
  223    HZ3  TRP  29          3HZ       TRP  29   0.526  -0.263  -9.482
  224    HH2  TRP  29           HH2      TRP  29   0.132  -1.430 -11.591
  225    H    THR  30           H        THR  30  -1.890  -1.157  -3.679
  226    HA   THR  30           HA       THR  30  -3.413   0.105  -1.841
  227    HB   THR  30           HB       THR  30  -5.376  -1.107  -2.195
  228    HG1  THR  30          1HG       THR  30  -4.308  -1.305   0.053
  229   1HG2  THR  30          1HG2      THR  30  -5.341  -2.978  -3.367
  230   2HG2  THR  30          2HG2      THR  30  -4.840  -3.818  -1.900
  231   3HG2  THR  30          3HG2      THR  30  -3.625  -3.222  -3.031
  232    H    TYR  31           H        TYR  31  -2.421   0.060   0.103
  233    HA   TYR  31           HA       TYR  31  -0.352  -1.997   0.486
  234   1HB   TYR  31          2HB       TYR  31   0.893  -0.392   1.780
  235   2HB   TYR  31          1HB       TYR  31   0.437   0.365   0.257
  236    HD1  TYR  31          1HD       TYR  31  -0.461   2.493   0.321
  237    HD2  TYR  31          2HD       TYR  31  -0.807   0.020   3.764
  238    HE1  TYR  31          1HE       TYR  31  -1.480   4.362   1.551
  239    HE2  TYR  31          2HE       TYR  31  -1.828   1.881   5.006
  240    HH   TYR  31           HH       TYR  31  -2.280   4.082   4.986
  241    H    CYS  32           H        CYS  32   0.226  -1.823   3.089
  242    HA   CYS  32           HA       CYS  32  -2.326  -2.414   4.438
  243   1HB   CYS  32          2HB       CYS  32   0.118  -3.986   4.172
  244   2HB   CYS  32          1HB       CYS  32  -0.388  -3.800   5.847
  245    H    GLU  33           H        GLU  33  -1.888  -2.491   6.945
  246    HA   GLU  33           HA       GLU  33  -1.121   0.176   7.673
  247   1HB   GLU  33          2HB       GLU  33  -1.527  -1.681   9.889
  248   2HB   GLU  33          1HB       GLU  33  -2.369  -0.185   9.507
  249   1HG   GLU  33          2HG       GLU  33  -4.120  -1.304   8.758
  250   2HG   GLU  33          1HG       GLU  33  -3.114  -2.209   7.630
  251    H    ASN  34           H        ASN  34   0.074  -3.074   8.481
  252    HA   ASN  34           HA       ASN  34   2.460  -1.923   9.696
  253   1HB   ASN  34          2HB       ASN  34   1.040  -3.991  10.533
  254   2HB   ASN  34          1HB       ASN  34   2.058  -4.870   9.396
  255   1HD2  ASN  34          1HD2      ASN  34   2.096  -2.770  12.211
  256   2HD2  ASN  34          2HD2      ASN  34   3.626  -3.298  12.815
  257    H    ARG  35           H        ARG  35   4.318  -1.693   8.639
  258    HA   ARG  35           HA       ARG  35   4.608  -2.207   5.913
  259   1HB   ARG  35          2HB       ARG  35   6.100  -0.943   7.922
  260   2HB   ARG  35          1HB       ARG  35   7.167  -2.171   7.256
  261   1HG   ARG  35          2HG       ARG  35   5.679  -0.460   5.345
  262   2HG   ARG  35          1HG       ARG  35   7.013   0.267   6.243
  263   1HD   ARG  35          2HD       ARG  35   7.041  -1.807   4.140
  264   2HD   ARG  35          1HD       ARG  35   8.207  -0.532   4.492
  265    HE   ARG  35           HE       ARG  35   8.050  -3.140   5.838
  266   1HH1  ARG  35          2HH1      ARG  35   9.745  -0.184   5.121
  267   2HH1  ARG  35          1HH1      ARG  35  11.238  -0.720   5.815
  268   1HH2  ARG  35          1HH2      ARG  35  10.012  -3.857   6.756
  269   2HH2  ARG  35          2HH2      ARG  35  11.391  -2.809   6.745
  270    H    ASN  36           H        ASN  36   4.039  -4.544   7.872
  271    HA   ASN  36           HA       ASN  36   5.867  -6.417   6.543
  272   1HB   ASN  36          2HB       ASN  36   6.394  -5.835   9.045
  273   2HB   ASN  36          1HB       ASN  36   5.030  -6.900   9.380
  274   1HD2  ASN  36          1HD2      ASN  36   5.892  -8.305   6.768
  275   2HD2  ASN  36          2HD2      ASN  36   7.141  -9.374   7.299
  276    H    GLN  37           H        GLN  37   2.878  -5.443   6.660
  277    HA   GLN  37           HA       GLN  37   1.709  -8.145   6.617
  278   1HB   GLN  37          2HB       GLN  37   0.981  -5.991   8.208
  279   2HB   GLN  37          1HB       GLN  37  -0.204  -5.972   6.911
  280   1HG   GLN  37          2HG       GLN  37  -0.736  -8.319   7.382
  281   2HG   GLN  37          1HG       GLN  37   0.437  -8.306   8.698
  282   1HE2  GLN  37          1HE2      GLN  37  -1.649  -9.029   9.766
  283   2HE2  GLN  37          2HE2      GLN  37  -2.620  -7.787  10.471
  284    H    LYS  38           H        LYS  38   0.383  -8.701   4.915
  285    HA   LYS  38           HA       LYS  38   0.522  -6.920   2.591
  286   1HB   LYS  38          2HB       LYS  38  -0.475  -9.712   2.350
  287   2HB   LYS  38          1HB       LYS  38   0.518  -8.775   1.244
  288   1HG   LYS  38          2HG       LYS  38   2.369  -9.009   2.989
  289   2HG   LYS  38          1HG       LYS  38   1.355 -10.264   3.704
  290   1HD   LYS  38          2HD       LYS  38   1.845 -10.420   0.787
  291   2HD   LYS  38          1HD       LYS  38   3.204 -10.787   1.853
  292   1HE   LYS  38          2HE       LYS  38   1.784 -12.428   3.035
  293   2HE   LYS  38          1HE       LYS  38   0.487 -12.098   1.887
  294   1HZ   LYS  38          1HZ       LYS  38   2.894 -13.670   1.555
  295   2HZ   LYS  38          2HZ       LYS  38   2.522 -12.667   0.244
  296   3HZ   LYS  38          3HZ       LYS  38   1.395 -13.807   0.783
  297    H    CYS  39           H        CYS  39  -1.371  -6.864   1.133
  298    HA   CYS  39           HA       CYS  39  -3.873  -6.905   2.688
  299   1HB   CYS  39          2HB       CYS  39  -3.133  -4.653   2.012
  300   2HB   CYS  39          1HB       CYS  39  -3.171  -5.157   0.327
  301    H    CYS  40           H        CYS  40  -4.935  -8.690   2.186
  302    HA   CYS  40           HA       CYS  40  -5.047  -9.583  -0.596
  303   1HB   CYS  40          2HB       CYS  40  -6.287 -11.489   1.005
  304   2HB   CYS  40          1HB       CYS  40  -4.652 -11.561   0.363
  305    H    GLU  41           H        GLU  41  -7.130 -10.367  -1.405
  306    HA   GLU  41           HA       GLU  41  -9.132  -8.650  -1.595
  307   1HB   GLU  41          2HB       GLU  41  -8.877 -11.338  -2.166
  308   2HB   GLU  41          1HB       GLU  41 -10.271 -11.299  -1.093
  309   1HG   GLU  41          2HG       GLU  41  -9.945  -9.721  -3.635
  310   2HG   GLU  41          1HG       GLU  41 -10.948 -11.155  -3.418
  311    H    TYR  42           HN       TYR  42  -9.977 -11.322   0.545
  312    HA   TYR  42           HA       TYR  42 -10.804  -9.380   2.592
  313   1HB   TYR  42          2HB       TYR  42 -12.908  -9.846   1.832
  314   2HB   TYR  42          1HB       TYR  42 -12.442 -11.417   1.188
  315    HD1  TYR  42          1HD       TYR  42 -13.050  -9.643   4.407
  316    HD2  TYR  42          2HD       TYR  42 -13.027 -13.359   2.335
  317    HE1  TYR  42          1HE       TYR  42 -14.055 -10.737   6.368
  318    HE2  TYR  42          2HE       TYR  42 -14.033 -14.461   4.288
  319    HH   TYR  42           HH       TYR  42 -14.008 -13.371   7.232
  Start of MODEL   13
    1   1H    ILE   1          1H        ILE   1  -1.095  14.203  -4.852
    2   2H    ILE   1          2H        ILE   1  -0.880  14.698  -3.223
    3   3H    ILE   1          3H        ILE   1  -2.199  13.684  -3.648
    4    HA   ILE   1           HA       ILE   1   0.159  12.887  -2.670
    5    HB   ILE   1           HB       ILE   1  -1.800  11.353  -4.385
    6   1HG1  ILE   1          2HG1      ILE   1  -1.660  11.461  -1.374
    7   2HG1  ILE   1          1HG1      ILE   1  -2.639  12.590  -2.305
    8   1HG2  ILE   1          1HG2      ILE   1  -0.620   9.727  -2.396
    9   2HG2  ILE   1          2HG2      ILE   1   0.684  10.551  -3.252
   10   3HG2  ILE   1          3HG2      ILE   1  -0.486   9.583  -4.148
   11   1HD1  ILE   1          1HD1      ILE   1  -4.279  11.113  -2.350
   12   2HD1  ILE   1          2HD1      ILE   1  -3.283   9.973  -1.444
   13   3HD1  ILE   1          3HD1      ILE   1  -3.239   9.976  -3.207
   14    H    MET   2           H        MET   2   2.070  13.409  -3.623
   15    HA   MET   2           HA       MET   2   2.589  12.190  -6.249
   16   1HB   MET   2          2HB       MET   2   4.334  14.324  -6.143
   17   2HB   MET   2          1HB       MET   2   2.849  14.253  -7.083
   18   1HG   MET   2          2HG       MET   2   1.626  15.347  -5.329
   19   2HG   MET   2          1HG       MET   2   3.031  15.295  -4.267
   20   1HE   MET   2          1HE       MET   2   3.964  15.956  -7.956
   21   2HE   MET   2          2HE       MET   2   5.176  15.809  -6.683
   22   3HE   MET   2          3HE       MET   2   4.971  17.341  -7.534
   23    H    PHE   3           H        PHE   3   3.096  10.916  -3.841
   24    HA   PHE   3           HA       PHE   3   6.039  10.973  -3.765
   25   1HB   PHE   3          2HB       PHE   3   4.697  11.847  -1.683
   26   2HB   PHE   3          1HB       PHE   3   4.461  10.130  -1.363
   27    HD1  PHE   3          1HD       PHE   3   6.124   8.878  -0.319
   28    HD2  PHE   3          2HD       PHE   3   7.077  12.696  -1.938
   29    HE1  PHE   3          1HE       PHE   3   8.341   8.772   0.745
   30    HE2  PHE   3          2HE       PHE   3   9.296  12.596  -0.878
   31    HZ   PHE   3           HZ       PHE   3   9.929  10.632   0.465
   32    H    PHE   4           H        PHE   4   5.120   8.717  -1.624
   33    HA   PHE   4           HA       PHE   4   4.797   6.582  -3.617
   34   1HB   PHE   4          2HB       PHE   4   7.203   7.018  -2.505
   35   2HB   PHE   4          1HB       PHE   4   6.502   5.993  -1.258
   36    HD1  PHE   4          1HD       PHE   4   6.905   6.111  -4.964
   37    HD2  PHE   4          2HD       PHE   4   6.757   3.721  -1.446
   38    HE1  PHE   4          1HE       PHE   4   7.459   4.120  -6.299
   39    HE2  PHE   4          2HE       PHE   4   7.313   1.725  -2.775
   40    HZ   PHE   4           HZ       PHE   4   7.665   1.923  -5.203
   41    H    GLU   5           H        GLU   5   2.672   6.202  -3.105
   42    HA   GLU   5           HA       GLU   5   2.194   4.665  -0.728
   43   1HB   GLU   5          2HB       GLU   5   1.579   7.473  -0.724
   44   2HB   GLU   5          1HB       GLU   5   0.089   6.544  -0.621
   45   1HG   GLU   5          2HG       GLU   5   0.925   5.363   1.319
   46   2HG   GLU   5          1HG       GLU   5   2.467   6.208   1.195
   47    H    MET   6           H        MET   6   1.287   2.979  -1.729
   48    HA   MET   6           HA       MET   6  -0.161   3.012  -4.100
   49   1HB   MET   6          2HB       MET   6   0.218   1.085  -1.882
   50   2HB   MET   6          1HB       MET   6  -1.181   0.815  -2.914
   51   1HG   MET   6          2HG       MET   6   0.884   1.300  -4.691
   52   2HG   MET   6          1HG       MET   6   1.622   0.325  -3.423
   53   1HE   MET   6          1HE       MET   6   2.045  -0.713  -5.699
   54   2HE   MET   6          2HE       MET   6   0.761  -1.174  -6.815
   55   3HE   MET   6          3HE       MET   6   1.437  -2.369  -5.707
   56    H    GLN   7           H        GLN   7  -2.145   1.427  -1.897
   57    HA   GLN   7           HA       GLN   7  -3.965   3.674  -1.527
   58   1HB   GLN   7          2HB       GLN   7  -4.581   1.230  -3.167
   59   2HB   GLN   7          1HB       GLN   7  -5.859   2.138  -2.371
   60   1HG   GLN   7          2HG       GLN   7  -3.895   3.309  -4.328
   61   2HG   GLN   7          1HG       GLN   7  -5.517   2.753  -4.741
   62   1HE2  GLN   7          1HE2      GLN   7  -4.047   5.443  -4.624
   63   2HE2  GLN   7          2HE2      GLN   7  -5.172   6.476  -3.819
   64    H    ALA   8           H        ALA   8  -4.170   3.619   0.616
   65    HA   ALA   8           HA       ALA   8  -3.738   1.770   2.464
   66   1HB   ALA   8          1HB       ALA   8  -6.217   2.799   3.286
   67   2HB   ALA   8          2HB       ALA   8  -5.457   4.056   2.310
   68   3HB   ALA   8          3HB       ALA   8  -4.609   3.389   3.706
   69    H    CYS   9           H        CYS   9  -4.182  -0.323   2.579
   70    HA   CYS   9           HA       CYS   9  -5.850  -1.874   1.169
   71   1HB   CYS   9          2HB       CYS   9  -4.256  -2.555   3.051
   72   2HB   CYS   9          1HB       CYS   9  -5.606  -2.289   4.146
   73    H    TRP  10           H        TRP  10  -6.792   0.326   3.678
   74    HA   TRP  10           HA       TRP  10  -9.447  -0.692   4.023
   75   1HB   TRP  10          2HB       TRP  10  -9.405   2.001   4.809
   76   2HB   TRP  10          1HB       TRP  10  -9.238   0.597   5.847
   77    HD1  TRP  10           HD1      TRP  10  -6.521  -0.304   6.049
   78    HE1  TRP  10          1HE       TRP  10  -4.435   1.178   6.357
   79    HE3  TRP  10          3HE       TRP  10  -8.446   4.108   4.420
   80    HZ2  TRP  10          2HZ       TRP  10  -3.709   3.886   5.952
   81    HZ3  TRP  10          3HZ       TRP  10  -7.006   6.113   4.402
   82    HH2  TRP  10           HH2      TRP  10  -4.684   5.998   5.155
   83    H    SER  11           H        SER  11  -8.118   2.201   2.433
   84    HA   SER  11           HA       SER  11 -10.301   3.428   1.458
   85   1HB   SER  11          2HB       SER  11  -7.549   3.312   0.724
   86   2HB   SER  11          1HB       SER  11  -8.511   3.271  -0.755
   87    HG   SER  11           HG       SER  11  -8.140   5.308   1.049
   88    H    HIS  12           H        HIS  12  -9.157   0.297   0.485
   89    HA   HIS  12           HA       HIS  12 -11.152   0.205  -1.670
   90   1HB   HIS  12          2HB       HIS  12  -8.680  -1.424  -1.117
   91   2HB   HIS  12          1HB       HIS  12  -9.909  -1.966  -2.256
   92    HD1  HIS  12          1HD       HIS  12  -9.401  -1.339  -4.583
   93    HD2  HIS  12          2HD       HIS  12  -7.820   1.393  -1.881
   94    HE1  HIS  12          1HE       HIS  12  -8.181   0.359  -5.980
   95    HE2  HIS  12          2HE       HIS  12  -7.165   1.957  -4.318
   96    H    SER  13           H        SER  13 -10.501  -0.900   1.490
   97    HA   SER  13           HA       SER  13 -11.854  -2.064   2.930
   98   1HB   SER  13          2HB       SER  13 -13.550  -1.843   0.555
   99   2HB   SER  13          1HB       SER  13 -13.849  -3.313   1.484
  100    HG   SER  13           HG       SER  13 -13.880  -1.772   3.357
  101    H    GLY  14           H        GLY  14  -9.738  -3.310   2.665
  102   1HA   GLY  14          2HA       GLY  14 -10.389  -6.044   1.759
  103   2HA   GLY  14          1HA       GLY  14  -8.809  -5.327   1.483
  104    H    VAL  15           H        VAL  15  -7.877  -7.106   2.618
  105    HA   VAL  15           HA       VAL  15  -8.053  -6.777   5.538
  106    HB   VAL  15           HB       VAL  15  -7.897  -9.401   4.049
  107   1HG1  VAL  15          1HG1      VAL  15  -7.865 -10.459   6.253
  108   2HG1  VAL  15          2HG1      VAL  15  -7.792  -8.871   7.016
  109   3HG1  VAL  15          3HG1      VAL  15  -6.453  -9.428   6.016
  110   1HG2  VAL  15          1HG2      VAL  15 -10.073  -7.867   5.218
  111   2HG2  VAL  15          2HG2      VAL  15  -9.976  -9.508   5.856
  112   3HG2  VAL  15          3HG2      VAL  15 -10.122  -9.245   4.118
  113    H    CYS  16           H        CYS  16  -6.145  -7.654   6.687
  114    HA   CYS  16           HA       CYS  16  -3.706  -7.674   5.052
  115   1HB   CYS  16          2HB       CYS  16  -4.300  -5.930   7.431
  116   2HB   CYS  16          1HB       CYS  16  -2.646  -6.346   7.001
  117    H    ARG  17           H        ARG  17  -2.801  -9.596   5.373
  118    HA   ARG  17           HA       ARG  17  -2.873 -10.737   8.091
  119   1HB   ARG  17          2HB       ARG  17  -2.276 -12.808   6.305
  120   2HB   ARG  17          1HB       ARG  17  -3.788 -12.548   7.164
  121   1HG   ARG  17          2HG       ARG  17  -3.834 -10.841   4.929
  122   2HG   ARG  17          1HG       ARG  17  -3.257 -12.411   4.364
  123   1HD   ARG  17          2HD       ARG  17  -5.752 -12.094   4.309
  124   2HD   ARG  17          1HD       ARG  17  -5.189 -13.514   5.185
  125    HE   ARG  17           HE       ARG  17  -5.812 -11.058   6.662
  126   1HH1  ARG  17          2HH1      ARG  17  -6.491 -14.389   5.909
  127   2HH1  ARG  17          1HH1      ARG  17  -7.570 -14.606   7.248
  128   1HH2  ARG  17          1HH2      ARG  17  -7.232 -11.331   8.427
  129   2HH2  ARG  17          2HH2      ARG  17  -7.991 -12.868   8.678
  130    H    ASP  18           H        ASP  18  -1.029 -12.274   8.523
  131    HA   ASP  18           HA       ASP  18   1.406 -10.929   8.365
  132   1HB   ASP  18          2HB       ASP  18   2.208 -13.499   8.768
  133   2HB   ASP  18          1HB       ASP  18   1.587 -12.446  10.036
  134    H    LYS  19           H        LYS  19   2.619 -10.539   6.645
  135    HA   LYS  19           HA       LYS  19   2.425 -11.263   4.109
  136   1HB   LYS  19          2HB       LYS  19   4.636 -10.447   5.781
  137   2HB   LYS  19          1HB       LYS  19   5.189 -11.526   4.506
  138   1HG   LYS  19          2HG       LYS  19   3.354  -9.519   3.509
  139   2HG   LYS  19          1HG       LYS  19   4.765  -8.806   4.296
  140   1HD   LYS  19          2HD       LYS  19   5.713  -9.092   2.269
  141   2HD   LYS  19          1HD       LYS  19   5.944 -10.748   2.832
  142   1HE   LYS  19          2HE       LYS  19   4.918 -11.232   0.873
  143   2HE   LYS  19          1HE       LYS  19   3.468 -10.972   1.845
  144   1HZ   LYS  19          1HZ       LYS  19   2.904  -9.305   0.524
  145   2HZ   LYS  19          2HZ       LYS  19   4.253  -9.608  -0.450
  146   3HZ   LYS  19          3HZ       LYS  19   4.363  -8.505   0.828
  147    H    SER  20           H        SER  20   3.772 -13.342   6.607
  148    HA   SER  20           HA       SER  20   4.531 -15.419   4.772
  149   1HB   SER  20          2HB       SER  20   5.052 -14.799   7.471
  150   2HB   SER  20          1HB       SER  20   4.225 -16.357   7.479
  151    HG   SER  20           HG       SER  20   5.953 -17.238   6.684
  152    H    GLU  21           H        GLU  21   1.671 -14.443   4.961
  153    HA   GLU  21           HA       GLU  21   0.246 -16.775   5.890
  154   1HB   GLU  21          2HB       GLU  21  -0.395 -14.105   5.725
  155   2HB   GLU  21          1HB       GLU  21  -1.287 -14.797   4.380
  156   1HG   GLU  21          2HG       GLU  21  -1.629 -16.470   6.653
  157   2HG   GLU  21          1HG       GLU  21  -1.950 -14.802   7.123
  158    H    ARG  22           H        ARG  22  -1.147 -17.970   4.592
  159    HA   ARG  22           HA       ARG  22  -0.246 -18.243   1.824
  160   1HB   ARG  22          2HB       ARG  22  -1.148 -20.109   3.933
  161   2HB   ARG  22          1HB       ARG  22  -1.657 -20.487   2.300
  162   1HG   ARG  22          2HG       ARG  22   1.112 -19.808   2.282
  163   2HG   ARG  22          1HG       ARG  22   0.811 -21.027   3.521
  164   1HD   ARG  22          2HD       ARG  22   0.086 -21.190   0.599
  165   2HD   ARG  22          1HD       ARG  22   1.331 -22.119   1.433
  166    HE   ARG  22           HE       ARG  22  -1.351 -22.445   2.469
  167   1HH1  ARG  22          2HH1      ARG  22   1.090 -23.614   0.277
  168   2HH1  ARG  22          1HH1      ARG  22   0.414 -25.205   0.168
  169   1HH2  ARG  22          1HH2      ARG  22  -2.250 -24.536   2.332
  170   2HH2  ARG  22          2HH2      ARG  22  -1.486 -25.728   1.335
  171    H    ASN  23           H        ASN  23  -2.842 -17.194   3.703
  172    HA   ASN  23           HA       ASN  23  -4.692 -17.452   1.426
  173   1HB   ASN  23          2HB       ASN  23  -5.283 -18.643   3.616
  174   2HB   ASN  23          1HB       ASN  23  -5.540 -17.036   4.290
  175   1HD2  ASN  23          1HD2      ASN  23  -6.240 -18.036   0.999
  176   2HD2  ASN  23          2HD2      ASN  23  -7.954 -17.853   1.110
  177    H    CYS  24           H        CYS  24  -3.450 -15.462   0.745
  178    HA   CYS  24           HA       CYS  24  -4.883 -13.107   1.737
  179   1HB   CYS  24          2HB       CYS  24  -2.452 -13.407   2.665
  180   2HB   CYS  24          1HB       CYS  24  -1.973 -12.860   1.062
  181    H    LYS  25           H        LYS  25  -6.105 -13.507  -0.237
  182    HA   LYS  25           HA       LYS  25  -5.234 -13.669  -2.800
  183   1HB   LYS  25          2HB       LYS  25  -7.508 -11.970  -1.764
  184   2HB   LYS  25          1HB       LYS  25  -7.267 -12.378  -3.457
  185   1HG   LYS  25          2HG       LYS  25  -7.815 -14.603  -3.135
  186   2HG   LYS  25          1HG       LYS  25  -7.474 -14.540  -1.405
  187   1HD   LYS  25          2HD       LYS  25  -9.585 -13.996  -0.944
  188   2HD   LYS  25          1HD       LYS  25  -9.558 -12.675  -2.111
  189   1HE   LYS  25          2HE       LYS  25 -10.279 -15.556  -2.559
  190   2HE   LYS  25          1HE       LYS  25 -11.265 -14.122  -2.842
  191   1HZ   LYS  25          1HZ       LYS  25  -8.762 -14.354  -4.330
  192   2HZ   LYS  25          2HZ       LYS  25 -10.244 -13.692  -4.805
  193   3HZ   LYS  25          3HZ       LYS  25 -10.034 -15.369  -4.790
  194    HA   PRO  26           HA       PRO  26  -2.354 -10.186  -2.960
  195   1HB   PRO  26          2HB       PRO  26  -2.621 -11.030  -5.818
  196   2HB   PRO  26          1HB       PRO  26  -1.167 -10.626  -4.897
  197   1HG   PRO  26          2HG       PRO  26  -1.805 -13.165  -5.389
  198   2HG   PRO  26          1HG       PRO  26  -1.110 -12.682  -3.830
  199   1HD   PRO  26          2HD       PRO  26  -3.899 -13.452  -4.502
  200   2HD   PRO  26          1HD       PRO  26  -3.010 -13.640  -2.978
  201    H    MET  27           H        MET  27  -3.730  -8.459  -2.535
  202    HA   MET  27           HA       MET  27  -5.461  -7.536  -4.714
  203   1HB   MET  27          2HB       MET  27  -5.905  -7.694  -2.000
  204   2HB   MET  27          1HB       MET  27  -5.497  -5.996  -2.222
  205   1HG   MET  27          2HG       MET  27  -7.969  -6.816  -2.399
  206   2HG   MET  27          1HG       MET  27  -7.352  -5.565  -3.478
  207   1HE   MET  27          1HE       MET  27  -9.067  -5.656  -4.837
  208   2HE   MET  27          2HE       MET  27  -9.940  -7.100  -5.347
  209   3HE   MET  27          3HE       MET  27  -8.726  -6.386  -6.406
  210    H    ALA  28           H        ALA  28  -4.014  -6.578  -6.108
  211    HA   ALA  28           HA       ALA  28  -1.858  -4.958  -5.441
  212   1HB   ALA  28          1HB       ALA  28  -3.582  -5.084  -7.897
  213   2HB   ALA  28          2HB       ALA  28  -1.970  -5.756  -7.651
  214   3HB   ALA  28          3HB       ALA  28  -2.188  -4.011  -7.776
  215    H    TRP  29           H        TRP  29  -1.952  -2.566  -6.528
  216    HA   TRP  29           HA       TRP  29  -2.331  -0.429  -5.810
  217   1HB   TRP  29          2HB       TRP  29  -5.149  -1.214  -6.550
  218   2HB   TRP  29          1HB       TRP  29  -4.432   0.390  -6.617
  219    HD1  TRP  29           HD1      TRP  29  -5.457  -2.077  -8.938
  220    HE1  TRP  29          1HE       TRP  29  -4.075  -2.039 -11.110
  221    HE3  TRP  29          3HE       TRP  29  -1.467   0.664  -7.308
  222    HZ2  TRP  29          2HZ       TRP  29  -1.613  -0.985 -12.011
  223    HZ3  TRP  29          3HZ       TRP  29   0.361   1.145  -8.884
  224    HH2  TRP  29           HH2      TRP  29   0.289   0.335 -11.187
  225    H    THR  30           H        THR  30  -1.886  -1.067  -3.546
  226    HA   THR  30           HA       THR  30  -3.384   0.193  -1.706
  227    HB   THR  30           HB       THR  30  -5.357  -0.993  -1.936
  228    HG1  THR  30          1HG       THR  30  -4.162  -1.300   0.239
  229   1HG2  THR  30          1HG2      THR  30  -5.242  -3.609  -1.913
  230   2HG2  THR  30          2HG2      THR  30  -3.637  -3.323  -2.583
  231   3HG2  THR  30          3HG2      THR  30  -5.062  -2.699  -3.413
  232    H    TYR  31           H        TYR  31  -2.399   0.162   0.249
  233    HA   TYR  31           HA       TYR  31  -0.342  -1.905   0.660
  234   1HB   TYR  31          2HB       TYR  31   0.947  -0.244   1.894
  235   2HB   TYR  31          1HB       TYR  31   0.572   0.360   0.284
  236    HD1  TYR  31          1HD       TYR  31  -1.190   2.100   0.003
  237    HD2  TYR  31          2HD       TYR  31   0.164   0.870   3.844
  238    HE1  TYR  31          1HE       TYR  31  -2.165   4.130   0.991
  239    HE2  TYR  31          2HE       TYR  31  -0.807   2.896   4.842
  240    HH   TYR  31           HH       TYR  31  -2.147   4.665   4.486
  241    H    CYS  32           H        CYS  32   0.184  -2.350   2.959
  242    HA   CYS  32           HA       CYS  32  -2.288  -2.479   4.521
  243   1HB   CYS  32          2HB       CYS  32   0.156  -4.152   4.309
  244   2HB   CYS  32          1HB       CYS  32  -0.617  -4.071   5.885
  245    H    GLU  33           H        GLU  33  -1.831  -2.509   6.991
  246    HA   GLU  33           HA       GLU  33  -0.702   0.052   7.642
  247   1HB   GLU  33          2HB       GLU  33  -2.038  -2.096   9.280
  248   2HB   GLU  33          1HB       GLU  33  -1.365  -0.646  10.008
  249   1HG   GLU  33          2HG       GLU  33  -3.084   0.617   9.361
  250   2HG   GLU  33          1HG       GLU  33  -3.133  -0.105   7.753
  251    H    ASN  34           H        ASN  34   0.266  -3.280   7.880
  252    HA   ASN  34           HA       ASN  34   2.630  -2.529   9.452
  253   1HB   ASN  34          2HB       ASN  34   0.950  -4.632   9.806
  254   2HB   ASN  34          1HB       ASN  34   2.181  -5.375   8.789
  255   1HD2  ASN  34          1HD2      ASN  34   3.784  -3.008  10.267
  256   2HD2  ASN  34          2HD2      ASN  34   4.359  -3.837  11.670
  257    H    ARG  35           H        ARG  35   4.574  -2.408   8.532
  258    HA   ARG  35           HA       ARG  35   4.915  -2.603   5.746
  259   1HB   ARG  35          2HB       ARG  35   6.391  -1.623   7.914
  260   2HB   ARG  35          1HB       ARG  35   7.411  -2.860   7.192
  261   1HG   ARG  35          2HG       ARG  35   6.615  -1.543   4.979
  262   2HG   ARG  35          1HG       ARG  35   6.606  -0.230   6.158
  263   1HD   ARG  35          2HD       ARG  35   8.954  -1.396   6.768
  264   2HD   ARG  35          1HD       ARG  35   8.862  -1.776   5.049
  265    HE   ARG  35           HE       ARG  35   8.375   0.992   5.768
  266   1HH1  ARG  35          2HH1      ARG  35  10.663  -1.403   4.693
  267   2HH1  ARG  35          1HH1      ARG  35  11.763  -0.243   4.025
  268   1HH2  ARG  35          1HH2      ARG  35   9.816   2.529   4.891
  269   2HH2  ARG  35          2HH2      ARG  35  11.282   1.993   4.139
  270    H    ASN  36           H        ASN  36   4.202  -5.078   7.546
  271    HA   ASN  36           HA       ASN  36   5.903  -6.928   6.026
  272   1HB   ASN  36          2HB       ASN  36   6.614  -6.616   8.477
  273   2HB   ASN  36          1HB       ASN  36   5.128  -7.469   8.886
  274   1HD2  ASN  36          1HD2      ASN  36   6.208  -8.551   5.952
  275   2HD2  ASN  36          2HD2      ASN  36   7.071  -9.955   6.475
  276    H    GLN  37           H        GLN  37   2.868  -5.881   6.751
  277    HA   GLN  37           HA       GLN  37   1.621  -8.521   6.490
  278   1HB   GLN  37          2HB       GLN  37   0.993  -6.398   8.107
  279   2HB   GLN  37          1HB       GLN  37  -0.143  -6.193   6.780
  280   1HG   GLN  37          2HG       GLN  37  -1.000  -8.422   7.117
  281   2HG   GLN  37          1HG       GLN  37   0.204  -8.727   8.366
  282   1HE2  GLN  37          1HE2      GLN  37  -0.377  -8.378  10.388
  283   2HE2  GLN  37          2HE2      GLN  37  -1.730  -7.437  10.906
  284    H    LYS  38           H        LYS  38   0.215  -9.027   4.834
  285    HA   LYS  38           HA       LYS  38   0.457  -7.352   2.445
  286   1HB   LYS  38          2HB       LYS  38  -0.818  -9.998   2.213
  287   2HB   LYS  38          1HB       LYS  38   0.424  -9.256   1.216
  288   1HG   LYS  38          2HG       LYS  38   1.989 -10.466   2.200
  289   2HG   LYS  38          1HG       LYS  38   1.518  -9.851   3.785
  290   1HD   LYS  38          2HD       LYS  38   0.849 -11.919   4.273
  291   2HD   LYS  38          1HD       LYS  38  -0.470 -11.680   3.124
  292   1HE   LYS  38          2HE       LYS  38   1.930 -12.356   1.713
  293   2HE   LYS  38          1HE       LYS  38   1.639 -13.542   2.985
  294   1HZ   LYS  38          1HZ       LYS  38  -0.782 -12.966   1.663
  295   2HZ   LYS  38          2HZ       LYS  38   0.041 -14.440   1.768
  296   3HZ   LYS  38          3HZ       LYS  38   0.391 -13.365   0.512
  297    H    CYS  39           H        CYS  39  -1.382  -6.945   1.110
  298    HA   CYS  39           HA       CYS  39  -3.900  -6.878   2.633
  299   1HB   CYS  39          2HB       CYS  39  -3.094  -4.664   2.078
  300   2HB   CYS  39          1HB       CYS  39  -2.932  -5.111   0.385
  301    H    CYS  40           H        CYS  40  -5.021  -8.624   2.081
  302    HA   CYS  40           HA       CYS  40  -5.157  -9.451  -0.715
  303   1HB   CYS  40          2HB       CYS  40  -6.611 -11.253   0.836
  304   2HB   CYS  40          1HB       CYS  40  -4.974 -11.468   0.230
  305    H    GLU  41           H        GLU  41  -7.314 -10.207  -1.498
  306    HA   GLU  41           HA       GLU  41  -9.159  -8.240  -1.711
  307   1HB   GLU  41          2HB       GLU  41  -9.033 -10.950  -2.422
  308   2HB   GLU  41          1HB       GLU  41 -10.555 -10.767  -1.561
  309   1HG   GLU  41          2HG       GLU  41  -9.651  -9.240  -3.989
  310   2HG   GLU  41          1HG       GLU  41 -10.932 -10.449  -3.902
  311    H    TYR  42           HN       TYR  42  -9.913 -11.059   0.329
  312    HA   TYR  42           HA       TYR  42 -11.079  -9.221   2.307
  313   1HB   TYR  42          2HB       TYR  42 -13.036 -10.038   1.417
  314   2HB   TYR  42          1HB       TYR  42 -12.309 -11.573   0.957
  315    HD1  TYR  42          1HD       TYR  42 -13.109  -9.656   4.065
  316    HD2  TYR  42          2HD       TYR  42 -12.954 -13.446   2.139
  317    HE1  TYR  42          1HE       TYR  42 -14.077 -10.704   6.068
  318    HE2  TYR  42          2HE       TYR  42 -13.921 -14.507   4.136
  319    HH   TYR  42           HH       TYR  42 -15.274 -13.892   6.077
  Start of MODEL   14
    1   1H    ILE   1          1H        ILE   1   2.449  13.152 -11.657
    2   2H    ILE   1          2H        ILE   1   1.899  14.382 -10.594
    3   3H    ILE   1          3H        ILE   1   0.912  13.869 -11.901
    4    HA   ILE   1           HA       ILE   1   0.203  13.014  -9.766
    5    HB   ILE   1           HB       ILE   1   1.075  11.201 -11.985
    6   1HG1  ILE   1          2HG1      ILE   1  -1.417  10.921 -12.167
    7   2HG1  ILE   1          1HG1      ILE   1  -1.590  12.107 -10.878
    8   1HG2  ILE   1          1HG2      ILE   1  -0.256   9.386 -10.846
    9   2HG2  ILE   1          2HG2      ILE   1  -0.162  10.355  -9.377
   10   3HG2  ILE   1          3HG2      ILE   1   1.314   9.750 -10.130
   11   1HD1  ILE   1          1HD1      ILE   1  -1.741  13.578 -12.545
   12   2HD1  ILE   1          2HD1      ILE   1  -1.008  12.478 -13.713
   13   3HD1  ILE   1          3HD1      ILE   1   0.013  13.429 -12.633
   14    H    MET   2           H        MET   2   0.572  11.037  -8.343
   15    HA   MET   2           HA       MET   2   2.921  11.393  -6.861
   16   1HB   MET   2          2HB       MET   2   1.221   8.902  -6.837
   17   2HB   MET   2          1HB       MET   2   2.202   9.547  -5.528
   18   1HG   MET   2          2HG       MET   2   0.468  11.608  -6.116
   19   2HG   MET   2          1HG       MET   2  -0.525  10.161  -6.292
   20   1HE   MET   2          1HE       MET   2  -1.819  11.549  -3.439
   21   2HE   MET   2          2HE       MET   2  -1.913   9.804  -3.193
   22   3HE   MET   2          3HE       MET   2  -2.042  10.474  -4.818
   23    H    PHE   3           H        PHE   3   4.692   9.964  -6.501
   24    HA   PHE   3           HA       PHE   3   5.583   8.670  -8.952
   25   1HB   PHE   3          2HB       PHE   3   7.546   8.417  -6.934
   26   2HB   PHE   3          1HB       PHE   3   7.552   9.513  -8.312
   27    HD1  PHE   3          1HD       PHE   3   6.667  11.807  -8.060
   28    HD2  PHE   3          2HD       PHE   3   7.128   9.194  -4.735
   29    HE1  PHE   3          1HE       PHE   3   6.515  13.730  -6.534
   30    HE2  PHE   3          2HE       PHE   3   6.976  11.111  -3.202
   31    HZ   PHE   3           HZ       PHE   3   6.667  13.384  -4.101
   32    H    PHE   4           H        PHE   4   4.314   7.847  -5.879
   33    HA   PHE   4           HA       PHE   4   4.176   5.082  -6.532
   34   1HB   PHE   4          2HB       PHE   4   6.606   5.616  -5.588
   35   2HB   PHE   4          1HB       PHE   4   5.767   5.499  -4.043
   36    HD1  PHE   4          1HD       PHE   4   7.902   3.715  -5.758
   37    HD2  PHE   4          2HD       PHE   4   3.844   3.361  -4.525
   38    HE1  PHE   4          1HE       PHE   4   8.093   1.263  -5.845
   39    HE2  PHE   4          2HE       PHE   4   4.028   0.908  -4.610
   40    HZ   PHE   4           HZ       PHE   4   6.156  -0.144  -5.271
   41    H    GLU   5           H        GLU   5   4.488   4.856  -3.358
   42    HA   GLU   5           HA       GLU   5   3.078   4.820  -1.572
   43   1HB   GLU   5          2HB       GLU   5   3.034   7.219  -1.701
   44   2HB   GLU   5          1HB       GLU   5   1.885   7.178  -3.031
   45   1HG   GLU   5          2HG       GLU   5   0.120   6.547  -1.646
   46   2HG   GLU   5          1HG       GLU   5   1.201   6.036  -0.350
   47    H    MET   6           H        MET   6   1.931   2.994  -1.537
   48    HA   MET   6           HA       MET   6   0.046   2.271  -3.544
   49   1HB   MET   6          2HB       MET   6   1.131   1.090  -1.084
   50   2HB   MET   6          1HB       MET   6  -0.538   0.644  -1.415
   51   1HG   MET   6          2HG       MET   6   0.284   0.064  -3.768
   52   2HG   MET   6          1HG       MET   6   1.903   0.135  -3.073
   53   1HE   MET   6          1HE       MET   6   0.012  -3.105  -4.081
   54   2HE   MET   6          2HE       MET   6   1.668  -3.440  -3.574
   55   3HE   MET   6          3HE       MET   6   1.312  -2.001  -4.530
   56    H    GLN   7           H        GLN   7  -2.092   1.210  -2.147
   57    HA   GLN   7           HA       GLN   7  -3.408   3.631  -1.104
   58   1HB   GLN   7          2HB       GLN   7  -4.663   1.357  -2.651
   59   2HB   GLN   7          1HB       GLN   7  -5.510   2.767  -2.027
   60   1HG   GLN   7          2HG       GLN   7  -4.169   4.206  -3.485
   61   2HG   GLN   7          1HG       GLN   7  -3.345   2.782  -4.121
   62   1HE2  GLN   7          1HE2      GLN   7  -4.774   1.126  -5.109
   63   2HE2  GLN   7          2HE2      GLN   7  -6.125   1.677  -6.031
   64    H    ALA   8           H        ALA   8  -4.161   3.527   0.904
   65    HA   ALA   8           HA       ALA   8  -3.675   1.594   2.730
   66   1HB   ALA   8          1HB       ALA   8  -4.696   3.035   4.075
   67   2HB   ALA   8          2HB       ALA   8  -6.257   2.670   3.339
   68   3HB   ALA   8          3HB       ALA   8  -5.233   3.932   2.654
   69    H    CYS   9           H        CYS   9  -4.265  -0.444   3.038
   70    HA   CYS   9           HA       CYS   9  -5.770  -1.992   1.401
   71   1HB   CYS   9          2HB       CYS   9  -4.360  -2.660   3.450
   72   2HB   CYS   9          1HB       CYS   9  -5.841  -2.447   4.375
   73    H    TRP  10           H        TRP  10  -6.935   0.201   3.836
   74    HA   TRP  10           HA       TRP  10  -9.607  -0.817   3.922
   75   1HB   TRP  10          2HB       TRP  10  -9.647   1.877   4.711
   76   2HB   TRP  10          1HB       TRP  10  -9.572   0.468   5.758
   77    HD1  TRP  10           HD1      TRP  10  -6.883  -0.421   6.211
   78    HE1  TRP  10          1HE       TRP  10  -4.840   1.069   6.713
   79    HE3  TRP  10          3HE       TRP  10  -8.666   3.983   4.411
   80    HZ2  TRP  10          2HZ       TRP  10  -4.091   3.781   6.379
   81    HZ3  TRP  10          3HZ       TRP  10  -7.242   5.994   4.529
   82    HH2  TRP  10           HH2      TRP  10  -4.999   5.891   5.495
   83    H    SER  11           H        SER  11  -7.959   1.773   2.186
   84    HA   SER  11           HA       SER  11 -10.026   3.172   1.087
   85   1HB   SER  11          2HB       SER  11  -7.256   2.775   0.484
   86   2HB   SER  11          1HB       SER  11  -8.171   2.769  -1.024
   87    HG   SER  11           HG       SER  11  -8.163   4.780   0.977
   88    H    HIS  12           H        HIS  12  -9.084  -0.092   0.379
   89    HA   HIS  12           HA       HIS  12 -11.143  -0.208  -1.721
   90   1HB   HIS  12          2HB       HIS  12  -8.751  -2.032  -1.456
   91   2HB   HIS  12          1HB       HIS  12  -9.895  -1.966  -2.790
   92    HD1  HIS  12          1HD       HIS  12  -9.686   0.059  -4.429
   93    HD2  HIS  12          2HD       HIS  12  -6.719  -0.141  -1.526
   94    HE1  HIS  12          1HE       HIS  12  -7.893   1.651  -5.189
   95    HE2  HIS  12          2HE       HIS  12  -6.075   1.458  -3.454
   96    H    SER  13           H        SER  13 -10.757  -0.873   1.391
   97    HA   SER  13           HA       SER  13 -11.724  -2.289   2.885
   98   1HB   SER  13          2HB       SER  13 -13.627  -1.804   0.976
   99   2HB   SER  13          1HB       SER  13 -13.560  -3.566   0.973
  100    HG   SER  13           HG       SER  13 -13.549  -2.883   3.486
  101    H    GLY  14           H        GLY  14  -9.688  -3.480   2.863
  102   1HA   GLY  14          2HA       GLY  14 -10.089  -6.218   1.836
  103   2HA   GLY  14          1HA       GLY  14  -8.550  -5.398   1.624
  104    H    VAL  15           H        VAL  15  -7.463  -7.025   2.785
  105    HA   VAL  15           HA       VAL  15  -7.737  -6.742   5.693
  106    HB   VAL  15           HB       VAL  15  -7.107  -9.461   4.659
  107   1HG1  VAL  15          1HG1      VAL  15  -7.956  -8.183   7.141
  108   2HG1  VAL  15          2HG1      VAL  15  -7.085  -9.695   6.883
  109   3HG1  VAL  15          3HG1      VAL  15  -8.845  -9.661   6.772
  110   1HG2  VAL  15          1HG2      VAL  15  -9.022  -9.068   3.335
  111   2HG2  VAL  15          2HG2      VAL  15  -9.852  -8.232   4.646
  112   3HG2  VAL  15          3HG2      VAL  15  -9.588  -9.973   4.737
  113    H    CYS  16           H        CYS  16  -5.828  -7.321   6.886
  114    HA   CYS  16           HA       CYS  16  -3.378  -7.281   5.250
  115   1HB   CYS  16          2HB       CYS  16  -3.373  -5.185   6.267
  116   2HB   CYS  16          1HB       CYS  16  -4.095  -5.794   7.751
  117    H    ARG  17           H        ARG  17  -2.549  -9.264   5.322
  118    HA   ARG  17           HA       ARG  17  -2.307 -10.562   7.956
  119   1HB   ARG  17          2HB       ARG  17  -2.179 -12.617   6.096
  120   2HB   ARG  17          1HB       ARG  17  -3.544 -12.236   7.135
  121   1HG   ARG  17          2HG       ARG  17  -3.831 -10.495   5.007
  122   2HG   ARG  17          1HG       ARG  17  -3.273 -11.996   4.264
  123   1HD   ARG  17          2HD       ARG  17  -5.692 -11.972   4.357
  124   2HD   ARG  17          1HD       ARG  17  -5.062 -13.214   5.439
  125    HE   ARG  17           HE       ARG  17  -5.476 -10.782   6.834
  126   1HH1  ARG  17          2HH1      ARG  17  -7.171 -13.495   5.459
  127   2HH1  ARG  17          1HH1      ARG  17  -8.511 -13.378   6.551
  128   1HH2  ARG  17          1HH2      ARG  17  -7.235 -10.618   8.278
  129   2HH2  ARG  17          2HH2      ARG  17  -8.547 -11.742   8.153
  130    H    ASP  18           H        ASP  18  -0.417 -11.804   8.311
  131    HA   ASP  18           HA       ASP  18   1.977 -10.788   7.802
  132   1HB   ASP  18          2HB       ASP  18   1.125 -13.638   8.112
  133   2HB   ASP  18          1HB       ASP  18   2.808 -13.295   7.723
  134    H    LYS  19           H        LYS  19   3.512 -10.715   6.238
  135    HA   LYS  19           HA       LYS  19   2.734 -10.820   3.553
  136   1HB   LYS  19          2HB       LYS  19   5.010 -10.346   3.006
  137   2HB   LYS  19          1HB       LYS  19   4.648  -9.495   4.500
  138   1HG   LYS  19          2HG       LYS  19   6.353 -11.911   4.075
  139   2HG   LYS  19          1HG       LYS  19   6.746 -10.392   4.883
  140   1HD   LYS  19          2HD       LYS  19   4.543 -11.583   6.232
  141   2HD   LYS  19          1HD       LYS  19   5.794 -12.809   6.025
  142   1HE   LYS  19          2HE       LYS  19   5.836 -10.284   7.585
  143   2HE   LYS  19          1HE       LYS  19   6.497 -11.869   7.983
  144   1HZ   LYS  19          1HZ       LYS  19   7.822 -10.768   5.731
  145   2HZ   LYS  19          2HZ       LYS  19   8.469 -11.258   7.214
  146   3HZ   LYS  19          3HZ       LYS  19   7.881  -9.684   7.029
  147    H    SER  20           H        SER  20   2.834 -13.362   5.439
  148    HA   SER  20           HA       SER  20   3.709 -15.166   3.286
  149   1HB   SER  20          2HB       SER  20   5.214 -14.917   5.472
  150   2HB   SER  20          1HB       SER  20   4.033 -16.060   6.110
  151    HG   SER  20           HG       SER  20   5.490 -16.426   3.702
  152    H    GLU  21           H        GLU  21   1.142 -14.062   4.827
  153    HA   GLU  21           HA       GLU  21  -0.274 -16.083   5.959
  154   1HB   GLU  21          2HB       GLU  21  -0.891 -13.600   5.486
  155   2HB   GLU  21          1HB       GLU  21  -1.629 -14.240   4.028
  156   1HG   GLU  21          2HG       GLU  21  -2.430 -15.811   6.275
  157   2HG   GLU  21          1HG       GLU  21  -2.712 -14.103   6.611
  158    H    ARG  22           H        ARG  22  -1.668 -17.615   5.272
  159    HA   ARG  22           HA       ARG  22  -1.078 -18.771   2.676
  160   1HB   ARG  22          2HB       ARG  22  -2.023 -19.730   5.280
  161   2HB   ARG  22          1HB       ARG  22  -2.828 -20.479   3.912
  162   1HG   ARG  22          2HG       ARG  22  -0.079 -20.450   3.314
  163   2HG   ARG  22          1HG       ARG  22  -0.239 -20.996   4.985
  164   1HD   ARG  22          2HD       ARG  22  -1.864 -22.132   2.719
  165   2HD   ARG  22          1HD       ARG  22  -0.308 -22.799   3.215
  166    HE   ARG  22           HE       ARG  22  -2.741 -22.740   4.873
  167   1HH1  ARG  22          2HH1      ARG  22   0.403 -24.025   4.105
  168   2HH1  ARG  22          1HH1      ARG  22   0.303 -25.312   5.261
  169   1HH2  ARG  22          1HH2      ARG  22  -2.884 -24.431   6.398
  170   2HH2  ARG  22          2HH2      ARG  22  -1.565 -25.543   6.565
  171    H    ASN  23           H        ASN  23  -3.438 -16.808   4.067
  172    HA   ASN  23           HA       ASN  23  -5.252 -17.354   1.821
  173   1HB   ASN  23          2HB       ASN  23  -5.874 -18.083   4.379
  174   2HB   ASN  23          1HB       ASN  23  -6.567 -16.465   4.302
  175   1HD2  ASN  23          1HD2      ASN  23  -8.671 -16.744   4.052
  176   2HD2  ASN  23          2HD2      ASN  23  -9.421 -17.743   2.858
  177    H    CYS  24           H        CYS  24  -3.584 -15.443   1.358
  178    HA   CYS  24           HA       CYS  24  -5.004 -12.945   2.015
  179   1HB   CYS  24          2HB       CYS  24  -2.574 -13.374   2.929
  180   2HB   CYS  24          1HB       CYS  24  -2.099 -12.936   1.292
  181    H    LYS  25           H        LYS  25  -6.268 -12.880   0.187
  182    HA   LYS  25           HA       LYS  25  -5.453 -13.465  -2.420
  183   1HB   LYS  25          2HB       LYS  25  -7.725 -12.122  -1.146
  184   2HB   LYS  25          1HB       LYS  25  -7.370 -11.521  -2.759
  185   1HG   LYS  25          2HG       LYS  25  -8.682 -13.202  -3.430
  186   2HG   LYS  25          1HG       LYS  25  -7.249 -14.199  -3.165
  187   1HD   LYS  25          2HD       LYS  25  -8.306 -14.121  -0.664
  188   2HD   LYS  25          1HD       LYS  25  -9.767 -14.058  -1.651
  189   1HE   LYS  25          2HE       LYS  25  -7.804 -16.028  -2.558
  190   2HE   LYS  25          1HE       LYS  25  -8.426 -16.337  -0.937
  191   1HZ   LYS  25          1HZ       LYS  25 -10.691 -16.138  -1.875
  192   2HZ   LYS  25          2HZ       LYS  25  -9.814 -17.435  -2.517
  193   3HZ   LYS  25          3HZ       LYS  25 -10.017 -16.021  -3.422
  194    HA   PRO  26           HA       PRO  26  -2.325 -10.181  -2.725
  195   1HB   PRO  26          2HB       PRO  26  -2.611 -11.238  -5.512
  196   2HB   PRO  26          1HB       PRO  26  -1.146 -10.827  -4.613
  197   1HG   PRO  26          2HG       PRO  26  -1.906 -13.368  -4.893
  198   2HG   PRO  26          1HG       PRO  26  -1.191 -12.787  -3.378
  199   1HD   PRO  26          2HD       PRO  26  -4.004 -13.498  -3.989
  200   2HD   PRO  26          1HD       PRO  26  -3.134 -13.555  -2.443
  201    H    MET  27           H        MET  27  -3.698  -8.404  -2.421
  202    HA   MET  27           HA       MET  27  -5.237  -7.508  -4.757
  203   1HB   MET  27          2HB       MET  27  -5.606  -7.303  -1.875
  204   2HB   MET  27          1HB       MET  27  -5.763  -5.745  -2.675
  205   1HG   MET  27          2HG       MET  27  -7.394  -8.222  -3.045
  206   2HG   MET  27          1HG       MET  27  -7.925  -6.589  -2.648
  207   1HE   MET  27          1HE       MET  27  -9.209  -5.172  -4.724
  208   2HE   MET  27          2HE       MET  27  -9.762  -6.740  -4.137
  209   3HE   MET  27          3HE       MET  27  -9.706  -6.417  -5.868
  210    H    ALA  28           H        ALA  28  -3.512  -6.696  -5.977
  211    HA   ALA  28           HA       ALA  28  -1.435  -5.093  -5.172
  212   1HB   ALA  28          1HB       ALA  28  -2.717  -5.751  -7.659
  213   2HB   ALA  28          2HB       ALA  28  -1.031  -5.345  -7.341
  214   3HB   ALA  28          3HB       ALA  28  -2.204  -4.064  -7.654
  215    H    TRP  29           H        TRP  29  -1.483  -2.697  -6.439
  216    HA   TRP  29           HA       TRP  29  -1.814  -0.534  -5.735
  217   1HB   TRP  29          2HB       TRP  29  -4.609  -1.320  -6.563
  218   2HB   TRP  29          1HB       TRP  29  -3.911   0.294  -6.590
  219    HD1  TRP  29           HD1      TRP  29  -4.779  -2.213  -8.954
  220    HE1  TRP  29          1HE       TRP  29  -3.312  -2.123 -11.070
  221    HE3  TRP  29          3HE       TRP  29  -0.963   0.663  -7.161
  222    HZ2  TRP  29          2HZ       TRP  29  -0.854  -0.980 -11.869
  223    HZ3  TRP  29          3HZ       TRP  29   0.913   1.212  -8.660
  224    HH2  TRP  29           HH2      TRP  29   0.965   0.405 -10.965
  225    H    THR  30           H        THR  30  -1.492  -1.355  -3.418
  226    HA   THR  30           HA       THR  30  -2.727   0.045  -1.567
  227    HB   THR  30           HB       THR  30  -4.940  -0.517  -2.064
  228    HG1  THR  30          1HG       THR  30  -3.897  -1.490   0.190
  229   1HG2  THR  30          1HG2      THR  30  -5.492  -2.302  -3.231
  230   2HG2  THR  30          2HG2      THR  30  -5.121  -3.328  -1.846
  231   3HG2  THR  30          3HG2      THR  30  -3.867  -2.954  -3.029
  232    H    TYR  31           H        TYR  31  -2.001  -0.417   0.465
  233    HA   TYR  31           HA       TYR  31  -0.604  -2.990   0.782
  234   1HB   TYR  31          2HB       TYR  31   0.901  -1.849   2.344
  235   2HB   TYR  31          1HB       TYR  31   0.910  -1.059   0.771
  236    HD1  TYR  31          1HD       TYR  31   1.925   0.258   3.217
  237    HD2  TYR  31          2HD       TYR  31  -1.996   0.162   1.567
  238    HE1  TYR  31          1HE       TYR  31   1.423   2.407   4.301
  239    HE2  TYR  31          2HE       TYR  31  -2.508   2.310   2.648
  240    HH   TYR  31           HH       TYR  31  -0.038   4.141   4.365
  241    H    CYS  32           H        CYS  32  -0.126  -2.637   3.583
  242    HA   CYS  32           HA       CYS  32  -2.863  -2.850   4.651
  243   1HB   CYS  32          2HB       CYS  32  -2.498  -4.961   5.281
  244   2HB   CYS  32          1HB       CYS  32  -0.957  -4.913   4.431
  245    H    GLU  33           H        GLU  33  -2.554  -3.067   7.237
  246    HA   GLU  33           HA       GLU  33  -1.863  -0.509   8.125
  247   1HB   GLU  33          2HB       GLU  33  -1.963  -2.961   9.876
  248   2HB   GLU  33          1HB       GLU  33  -2.301  -1.298  10.333
  249   1HG   GLU  33          2HG       GLU  33  -3.982  -2.436   8.195
  250   2HG   GLU  33          1HG       GLU  33  -4.201  -3.105   9.811
  251    H    ASN  34           H        ASN  34  -0.115  -3.586   8.454
  252    HA   ASN  34           HA       ASN  34   2.211  -2.165   9.501
  253   1HB   ASN  34          2HB       ASN  34   1.199  -4.487  10.306
  254   2HB   ASN  34          1HB       ASN  34   2.235  -5.111   9.024
  255   1HD2  ASN  34          1HD2      ASN  34   4.410  -3.534   9.152
  256   2HD2  ASN  34          2HD2      ASN  34   5.199  -3.709  10.680
  257    H    ARG  35           H        ARG  35   3.883  -1.608   8.273
  258    HA   ARG  35           HA       ARG  35   3.913  -1.971   5.487
  259   1HB   ARG  35          2HB       ARG  35   5.351  -0.469   7.357
  260   2HB   ARG  35          1HB       ARG  35   6.554  -1.481   6.571
  261   1HG   ARG  35          2HG       ARG  35   5.161  -0.601   4.426
  262   2HG   ARG  35          1HG       ARG  35   5.009   0.777   5.518
  263   1HD   ARG  35          2HD       ARG  35   7.178   0.148   3.880
  264   2HD   ARG  35          1HD       ARG  35   7.112   1.385   5.135
  265    HE   ARG  35           HE       ARG  35   8.108  -1.362   5.526
  266   1HH1  ARG  35          2HH1      ARG  35   7.994   2.007   6.395
  267   2HH1  ARG  35          1HH1      ARG  35   9.243   1.875   7.588
  268   1HH2  ARG  35          1HH2      ARG  35   9.752  -1.549   7.095
  269   2HH2  ARG  35          2HH2      ARG  35  10.243  -0.148   7.986
  270    H    ASN  36           H        ASN  36   3.949  -4.405   7.345
  271    HA   ASN  36           HA       ASN  36   6.034  -5.862   5.867
  272   1HB   ASN  36          2HB       ASN  36   6.527  -5.387   8.368
  273   2HB   ASN  36          1HB       ASN  36   5.282  -6.590   8.689
  274   1HD2  ASN  36          1HD2      ASN  36   7.113  -6.981   5.828
  275   2HD2  ASN  36          2HD2      ASN  36   8.130  -8.262   6.383
  276    H    GLN  37           H        GLN  37   2.856  -5.438   6.369
  277    HA   GLN  37           HA       GLN  37   2.177  -8.274   5.999
  278   1HB   GLN  37          2HB       GLN  37   1.141  -6.404   7.769
  279   2HB   GLN  37          1HB       GLN  37  -0.058  -6.472   6.489
  280   1HG   GLN  37          2HG       GLN  37  -0.770  -8.494   7.105
  281   2HG   GLN  37          1HG       GLN  37   0.871  -9.096   7.344
  282   1HE2  GLN  37          1HE2      GLN  37   1.515  -9.455   9.349
  283   2HE2  GLN  37          2HE2      GLN  37   0.738  -8.877  10.781
  284    H    LYS  38           H        LYS  38   0.426  -8.749   4.491
  285    HA   LYS  38           HA       LYS  38   0.530  -6.967   2.159
  286   1HB   LYS  38          2HB       LYS  38  -0.582  -9.705   1.915
  287   2HB   LYS  38          1HB       LYS  38   0.455  -8.806   0.813
  288   1HG   LYS  38          2HG       LYS  38   2.370  -9.234   2.279
  289   2HG   LYS  38          1HG       LYS  38   1.325 -10.160   3.359
  290   1HD   LYS  38          2HD       LYS  38   1.347 -10.926   0.494
  291   2HD   LYS  38          1HD       LYS  38   2.785 -11.305   1.445
  292   1HE   LYS  38          2HE       LYS  38   1.634 -12.734   2.857
  293   2HE   LYS  38          1HE       LYS  38   0.073 -11.996   2.495
  294   1HZ   LYS  38          1HZ       LYS  38   1.337 -13.178   0.201
  295   2HZ   LYS  38          2HZ       LYS  38  -0.242 -13.358   0.776
  296   3HZ   LYS  38          3HZ       LYS  38   1.005 -14.299   1.424
  297    H    CYS  39           H        CYS  39  -1.408  -6.646   0.909
  298    HA   CYS  39           HA       CYS  39  -3.823  -6.712   2.583
  299   1HB   CYS  39          2HB       CYS  39  -3.139  -4.467   1.934
  300   2HB   CYS  39          1HB       CYS  39  -3.133  -4.936   0.238
  301    H    CYS  40           H        CYS  40  -4.971  -8.460   2.125
  302    HA   CYS  40           HA       CYS  40  -5.191  -9.381  -0.637
  303   1HB   CYS  40          2HB       CYS  40  -6.562 -11.166   0.982
  304   2HB   CYS  40          1HB       CYS  40  -4.915 -11.351   0.391
  305    H    GLU  41           H        GLU  41  -7.382 -10.245  -1.271
  306    HA   GLU  41           HA       GLU  41  -9.278  -8.187  -1.245
  307   1HB   GLU  41          2HB       GLU  41  -8.967 -10.694  -2.511
  308   2HB   GLU  41          1HB       GLU  41 -10.545 -10.720  -1.735
  309   1HG   GLU  41          2HG       GLU  41  -9.524  -8.811  -3.812
  310   2HG   GLU  41          1HG       GLU  41 -10.895  -9.918  -3.916
  311    H    TYR  42           HN       TYR  42  -9.211 -11.255   0.549
  312    HA   TYR  42           HA       TYR  42 -10.957 -10.040   2.560
  313   1HB   TYR  42          2HB       TYR  42 -12.465 -11.316   1.164
  314   2HB   TYR  42          1HB       TYR  42 -11.419 -12.726   1.268
  315    HD1  TYR  42          1HD       TYR  42 -13.164 -10.375   3.599
  316    HD2  TYR  42          2HD       TYR  42 -12.084 -14.395   2.711
  317    HE1  TYR  42          1HE       TYR  42 -14.403 -11.139   5.580
  318    HE2  TYR  42          2HE       TYR  42 -13.322 -15.169   4.690
  319    HH   TYR  42           HH       TYR  42 -15.300 -14.263   6.095
  Start of MODEL   15
    1   1H    ILE   1          1H        ILE   1  -0.488  10.439 -12.888
    2   2H    ILE   1          2H        ILE   1  -1.078  11.460 -14.136
    3   3H    ILE   1          3H        ILE   1  -0.831   9.789 -14.438
    4    HA   ILE   1           HA       ILE   1  -2.737  10.878 -12.482
    5    HB   ILE   1           HB       ILE   1  -3.296  11.460 -14.846
    6   1HG1  ILE   1          2HG1      ILE   1  -5.380   9.496 -14.244
    7   2HG1  ILE   1          1HG1      ILE   1  -4.908  10.453 -12.844
    8   1HG2  ILE   1          1HG2      ILE   1  -3.991   9.658 -16.358
    9   2HG2  ILE   1          2HG2      ILE   1  -3.436   8.468 -15.184
   10   3HG2  ILE   1          3HG2      ILE   1  -2.279   9.553 -15.952
   11   1HD1  ILE   1          1HD1      ILE   1  -5.412  11.917 -15.362
   12   2HD1  ILE   1          2HD1      ILE   1  -5.768  12.364 -13.693
   13   3HD1  ILE   1          3HD1      ILE   1  -6.804  11.213 -14.539
   14    H    MET   2           H        MET   2  -2.280   9.319 -10.944
   15    HA   MET   2           HA       MET   2  -2.575   7.323  -9.884
   16   1HB   MET   2          2HB       MET   2  -3.865   6.314 -12.419
   17   2HB   MET   2          1HB       MET   2  -4.070   5.685 -10.790
   18   1HG   MET   2          2HG       MET   2  -5.386   7.492 -10.128
   19   2HG   MET   2          1HG       MET   2  -4.862   8.487 -11.484
   20   1HE   MET   2          1HE       MET   2  -8.039   7.777 -10.455
   21   2HE   MET   2          2HE       MET   2  -7.384   6.199 -10.020
   22   3HE   MET   2          3HE       MET   2  -8.670   6.319 -11.220
   23    H    PHE   3           H        PHE   3  -0.137   7.523 -10.425
   24    HA   PHE   3           HA       PHE   3   0.775   5.439 -12.253
   25   1HB   PHE   3          2HB       PHE   3   1.811   7.933 -11.448
   26   2HB   PHE   3          1HB       PHE   3   2.907   6.720 -10.796
   27    HD1  PHE   3          1HD       PHE   3   3.195   8.860 -13.111
   28    HD2  PHE   3          2HD       PHE   3   2.549   4.657 -12.978
   29    HE1  PHE   3          1HE       PHE   3   4.251   8.633 -15.321
   30    HE2  PHE   3          2HE       PHE   3   3.604   4.421 -15.188
   31    HZ   PHE   3           HZ       PHE   3   4.457   6.411 -16.362
   32    H    PHE   4           H        PHE   4   2.185   6.366  -9.140
   33    HA   PHE   4           HA       PHE   4   2.199   3.520  -8.403
   34   1HB   PHE   4          2HB       PHE   4   3.913   5.321  -6.844
   35   2HB   PHE   4          1HB       PHE   4   4.289   3.771  -7.590
   36    HD1  PHE   4          1HD       PHE   4   5.072   7.138  -7.615
   37    HD2  PHE   4          2HD       PHE   4   4.304   3.906 -10.277
   38    HE1  PHE   4          1HE       PHE   4   6.334   8.298  -9.380
   39    HE2  PHE   4          2HE       PHE   4   5.566   5.059 -12.046
   40    HZ   PHE   4           HZ       PHE   4   6.583   7.258 -11.599
   41    H    GLU   5           H        GLU   5   2.971   4.144  -5.664
   42    HA   GLU   5           HA       GLU   5   2.044   4.491  -3.617
   43   1HB   GLU   5          2HB       GLU   5   1.756   6.795  -4.184
   44   2HB   GLU   5          1HB       GLU   5   0.363   6.437  -5.195
   45   1HG   GLU   5          2HG       GLU   5  -1.011   6.011  -3.346
   46   2HG   GLU   5          1HG       GLU   5   0.364   5.883  -2.249
   47    H    MET   6           H        MET   6   1.120   2.656  -2.953
   48    HA   MET   6           HA       MET   6  -0.996   1.322  -4.208
   49   1HB   MET   6          2HB       MET   6   0.092   1.194  -1.401
   50   2HB   MET   6          1HB       MET   6  -1.228   0.166  -1.937
   51   1HG   MET   6          2HG       MET   6   0.383  -1.270  -2.489
   52   2HG   MET   6          1HG       MET   6   0.601  -0.238  -3.904
   53   1HE   MET   6          1HE       MET   6   3.871   1.405  -3.549
   54   2HE   MET   6          2HE       MET   6   2.251   1.453  -4.244
   55   3HE   MET   6          3HE       MET   6   3.276   0.039  -4.494
   56    H    GLN   7           H        GLN   7  -2.690   0.789  -1.904
   57    HA   GLN   7           HA       GLN   7  -3.978   3.328  -1.316
   58   1HB   GLN   7          2HB       GLN   7  -5.125   1.256  -3.138
   59   2HB   GLN   7          1HB       GLN   7  -6.210   2.141  -2.075
   60   1HG   GLN   7          2HG       GLN   7  -4.306   3.785  -3.596
   61   2HG   GLN   7          1HG       GLN   7  -5.527   2.943  -4.549
   62   1HE2  GLN   7          1HE2      GLN   7  -7.635   2.988  -2.740
   63   2HE2  GLN   7          2HE2      GLN   7  -8.163   4.621  -2.540
   64    H    ALA   8           H        ALA   8  -3.740   3.011   0.856
   65    HA   ALA   8           HA       ALA   8  -3.659   1.178   2.608
   66   1HB   ALA   8          1HB       ALA   8  -5.202   3.577   2.581
   67   2HB   ALA   8          2HB       ALA   8  -4.450   2.758   3.951
   68   3HB   ALA   8          3HB       ALA   8  -6.091   2.336   3.465
   69    H    CYS   9           H        CYS   9  -4.185  -0.902   2.519
   70    HA   CYS   9           HA       CYS   9  -5.868  -2.337   1.124
   71   1HB   CYS   9          2HB       CYS   9  -4.473  -3.057   3.171
   72   2HB   CYS   9          1HB       CYS   9  -5.944  -2.781   4.098
   73    H    TRP  10           H        TRP  10  -6.913  -0.148   3.643
   74    HA   TRP  10           HA       TRP  10  -9.639  -1.013   3.671
   75   1HB   TRP  10          2HB       TRP  10  -9.537   1.635   4.585
   76   2HB   TRP  10          1HB       TRP  10  -9.530   0.179   5.565
   77    HD1  TRP  10           HD1      TRP  10  -6.899  -0.859   5.987
   78    HE1  TRP  10          1HE       TRP  10  -4.780   0.498   6.544
   79    HE3  TRP  10          3HE       TRP  10  -8.439   3.694   4.348
   80    HZ2  TRP  10          2HZ       TRP  10  -3.886   3.177   6.309
   81    HZ3  TRP  10          3HZ       TRP  10  -6.906   5.620   4.537
   82    HH2  TRP  10           HH2      TRP  10  -4.674   5.361   5.502
   83    H    SER  11           H        SER  11  -7.946   1.775   2.261
   84    HA   SER  11           HA       SER  11 -10.052   3.132   1.146
   85   1HB   SER  11          2HB       SER  11  -7.725   3.940   1.119
   86   2HB   SER  11          1HB       SER  11  -7.323   2.732  -0.100
   87    HG   SER  11           HG       SER  11  -7.766   4.733  -1.068
   88    H    HIS  12           H        HIS  12  -9.609  -0.030   0.630
   89    HA   HIS  12           HA       HIS  12 -10.995   0.088  -1.945
   90   1HB   HIS  12          2HB       HIS  12  -8.427  -1.322  -1.375
   91   2HB   HIS  12          1HB       HIS  12  -9.574  -2.075  -2.478
   92    HD1  HIS  12          1HD       HIS  12 -10.545   0.605  -3.828
   93    HD2  HIS  12          2HD       HIS  12  -6.590  -0.545  -3.276
   94    HE1  HIS  12          1HE       HIS  12  -9.230   1.865  -5.562
   95    HE2  HIS  12          2HE       HIS  12  -6.849   1.095  -5.259
   96    H    SER  13           H        SER  13 -10.446  -1.410   1.105
   97    HA   SER  13           HA       SER  13 -12.028  -2.642   2.292
   98   1HB   SER  13          2HB       SER  13 -13.828  -2.099   0.755
   99   2HB   SER  13          1HB       SER  13 -13.192  -3.228  -0.441
  100    HG   SER  13           HG       SER  13 -14.475  -3.757   2.005
  101    H    GLY  14           H        GLY  14  -9.822  -3.653   2.488
  102   1HA   GLY  14          2HA       GLY  14  -9.997  -6.441   1.559
  103   2HA   GLY  14          1HA       GLY  14  -8.500  -5.547   1.346
  104    H    VAL  15           H        VAL  15  -7.445  -7.151   2.636
  105    HA   VAL  15           HA       VAL  15  -7.766  -6.629   5.504
  106    HB   VAL  15           HB       VAL  15  -7.189  -9.422   4.579
  107   1HG1  VAL  15          1HG1      VAL  15  -6.820  -8.671   6.945
  108   2HG1  VAL  15          2HG1      VAL  15  -7.923 -10.035   6.761
  109   3HG1  VAL  15          3HG1      VAL  15  -8.561  -8.419   7.065
  110   1HG2  VAL  15          1HG2      VAL  15  -9.243  -8.984   3.466
  111   2HG2  VAL  15          2HG2      VAL  15  -9.902  -8.148   4.872
  112   3HG2  VAL  15          3HG2      VAL  15  -9.640  -9.891   4.927
  113    H    CYS  16           H        CYS  16  -5.882  -7.212   6.782
  114    HA   CYS  16           HA       CYS  16  -3.397  -7.275   5.200
  115   1HB   CYS  16          2HB       CYS  16  -4.044  -5.653   7.663
  116   2HB   CYS  16          1HB       CYS  16  -2.396  -5.920   7.108
  117    H    ARG  17           H        ARG  17  -2.697  -9.321   5.457
  118    HA   ARG  17           HA       ARG  17  -2.601 -10.397   8.197
  119   1HB   ARG  17          2HB       ARG  17  -2.218 -12.434   6.214
  120   2HB   ARG  17          1HB       ARG  17  -3.472 -12.304   7.439
  121   1HG   ARG  17          2HG       ARG  17  -3.910 -10.512   5.194
  122   2HG   ARG  17          1HG       ARG  17  -3.841 -12.212   4.718
  123   1HD   ARG  17          2HD       ARG  17  -5.563 -11.138   6.948
  124   2HD   ARG  17          1HD       ARG  17  -6.127 -11.401   5.298
  125    HE   ARG  17           HE       ARG  17  -5.524 -13.796   5.679
  126   1HH1  ARG  17          2HH1      ARG  17  -6.265 -11.685   8.347
  127   2HH1  ARG  17          1HH1      ARG  17  -6.788 -12.968   9.385
  128   1HH2  ARG  17          1HH2      ARG  17  -6.212 -15.494   7.038
  129   2HH2  ARG  17          2HH2      ARG  17  -6.756 -15.135   8.642
  130    H    ASP  18           H        ASP  18  -0.865 -12.413   7.985
  131    HA   ASP  18           HA       ASP  18   1.645 -11.118   7.971
  132   1HB   ASP  18          2HB       ASP  18   1.473 -14.093   7.813
  133   2HB   ASP  18          1HB       ASP  18   2.495 -13.083   8.829
  134    H    LYS  19           H        LYS  19   3.327 -11.222   6.562
  135    HA   LYS  19           HA       LYS  19   2.792 -11.347   3.826
  136   1HB   LYS  19          2HB       LYS  19   5.442 -11.643   3.797
  137   2HB   LYS  19          1HB       LYS  19   4.672 -10.111   4.189
  138   1HG   LYS  19          2HG       LYS  19   6.517 -10.746   5.720
  139   2HG   LYS  19          1HG       LYS  19   4.970 -10.477   6.528
  140   1HD   LYS  19          2HD       LYS  19   4.977 -12.547   7.347
  141   2HD   LYS  19          1HD       LYS  19   5.215 -13.231   5.737
  142   1HE   LYS  19          2HE       LYS  19   7.488 -13.346   5.970
  143   2HE   LYS  19          1HE       LYS  19   7.550 -11.989   7.096
  144   1HZ   LYS  19          1HZ       LYS  19   6.712 -13.379   8.835
  145   2HZ   LYS  19          2HZ       LYS  19   8.040 -14.155   8.135
  146   3HZ   LYS  19          3HZ       LYS  19   6.471 -14.672   7.768
  147    H    SER  20           H        SER  20   2.842 -13.876   5.904
  148    HA   SER  20           HA       SER  20   3.691 -15.756   3.802
  149   1HB   SER  20          2HB       SER  20   4.862 -15.502   6.272
  150   2HB   SER  20          1HB       SER  20   3.705 -16.803   6.545
  151    HG   SER  20           HG       SER  20   4.648 -17.959   4.879
  152    H    GLU  21           H        GLU  21   1.020 -14.518   4.826
  153    HA   GLU  21           HA       GLU  21  -0.547 -16.567   5.880
  154   1HB   GLU  21          2HB       GLU  21  -0.989 -13.986   5.488
  155   2HB   GLU  21          1HB       GLU  21  -1.773 -14.578   4.032
  156   1HG   GLU  21          2HG       GLU  21  -2.655 -16.186   6.171
  157   2HG   GLU  21          1HG       GLU  21  -2.755 -14.506   6.700
  158    H    ARG  22           H        ARG  22  -2.012 -17.919   4.941
  159    HA   ARG  22           HA       ARG  22  -1.296 -18.836   2.271
  160   1HB   ARG  22          2HB       ARG  22  -2.362 -20.060   4.725
  161   2HB   ARG  22          1HB       ARG  22  -3.050 -20.675   3.234
  162   1HG   ARG  22          2HG       ARG  22  -0.155 -20.445   3.137
  163   2HG   ARG  22          1HG       ARG  22  -0.728 -21.520   4.413
  164   1HD   ARG  22          2HD       ARG  22  -2.299 -22.282   2.332
  165   2HD   ARG  22          1HD       ARG  22  -0.815 -21.833   1.493
  166    HE   ARG  22           HE       ARG  22   0.343 -23.500   2.759
  167   1HH1  ARG  22          2HH1      ARG  22  -3.121 -23.540   3.107
  168   2HH1  ARG  22          1HH1      ARG  22  -3.175 -25.175   3.677
  169   1HH2  ARG  22          1HH2      ARG  22   0.284 -25.655   3.506
  170   2HH2  ARG  22          2HH2      ARG  22  -1.238 -26.377   3.905
  171    H    ASN  23           H        ASN  23  -3.696 -17.037   3.822
  172    HA   ASN  23           HA       ASN  23  -5.537 -17.470   1.562
  173   1HB   ASN  23          2HB       ASN  23  -6.361 -18.294   3.812
  174   2HB   ASN  23          1HB       ASN  23  -6.375 -16.611   4.334
  175   1HD2  ASN  23          1HD2      ASN  23  -8.678 -17.261   4.667
  176   2HD2  ASN  23          2HD2      ASN  23  -9.767 -17.015   3.348
  177    H    CYS  24           H        CYS  24  -3.389 -15.580   1.628
  178    HA   CYS  24           HA       CYS  24  -4.811 -13.022   1.902
  179   1HB   CYS  24          2HB       CYS  24  -2.360 -13.696   2.857
  180   2HB   CYS  24          1HB       CYS  24  -1.918 -12.996   1.304
  181    H    LYS  25           H        LYS  25  -5.915 -12.798   0.017
  182    HA   LYS  25           HA       LYS  25  -4.850 -13.489  -2.531
  183   1HB   LYS  25          2HB       LYS  25  -7.317 -12.274  -1.486
  184   2HB   LYS  25          1HB       LYS  25  -6.860 -11.728  -3.095
  185   1HG   LYS  25          2HG       LYS  25  -8.099 -13.520  -3.690
  186   2HG   LYS  25          1HG       LYS  25  -6.553 -14.342  -3.465
  187   1HD   LYS  25          2HD       LYS  25  -7.756 -15.706  -2.135
  188   2HD   LYS  25          1HD       LYS  25  -7.532 -14.423  -0.944
  189   1HE   LYS  25          2HE       LYS  25  -9.953 -15.393  -2.147
  190   2HE   LYS  25          1HE       LYS  25  -9.745 -14.264  -0.809
  191   1HZ   LYS  25          1HZ       LYS  25  -9.852 -13.636  -3.702
  192   2HZ   LYS  25          2HZ       LYS  25  -9.345 -12.518  -2.538
  193   3HZ   LYS  25          3HZ       LYS  25 -10.922 -13.130  -2.491
  194    HA   PRO  26           HA       PRO  26  -2.016  -9.991  -2.739
  195   1HB   PRO  26          2HB       PRO  26  -2.051 -10.972  -5.561
  196   2HB   PRO  26          1HB       PRO  26  -0.676 -10.547  -4.536
  197   1HG   PRO  26          2HG       PRO  26  -1.296 -13.097  -4.985
  198   2HG   PRO  26          1HG       PRO  26  -0.739 -12.562  -3.388
  199   1HD   PRO  26          2HD       PRO  26  -3.481 -13.292  -4.297
  200   2HD   PRO  26          1HD       PRO  26  -2.724 -13.501  -2.705
  201    H    MET  27           H        MET  27  -3.405  -8.251  -2.527
  202    HA   MET  27           HA       MET  27  -4.976  -7.471  -4.882
  203   1HB   MET  27          2HB       MET  27  -5.316  -7.159  -1.993
  204   2HB   MET  27          1HB       MET  27  -5.583  -5.665  -2.882
  205   1HG   MET  27          2HG       MET  27  -6.960  -7.527  -4.363
  206   2HG   MET  27          1HG       MET  27  -7.226  -8.052  -2.702
  207   1HE   MET  27          1HE       MET  27  -8.814  -6.983  -5.169
  208   2HE   MET  27          2HE       MET  27  -8.873  -5.225  -5.300
  209   3HE   MET  27          3HE       MET  27 -10.166  -6.090  -4.470
  210    H    ALA  28           H        ALA  28  -4.300  -5.866  -6.146
  211    HA   ALA  28           HA       ALA  28  -1.856  -4.500  -5.590
  212   1HB   ALA  28          1HB       ALA  28  -3.847  -4.366  -7.831
  213   2HB   ALA  28          2HB       ALA  28  -2.208  -5.016  -7.847
  214   3HB   ALA  28          3HB       ALA  28  -2.464  -3.274  -7.746
  215    H    TRP  29           H        TRP  29  -1.811  -2.055  -6.069
  216    HA   TRP  29           HA       TRP  29  -2.090  -0.063  -4.961
  217   1HB   TRP  29          2HB       TRP  29  -4.953  -0.262  -5.809
  218   2HB   TRP  29          1HB       TRP  29  -3.852   1.108  -5.902
  219    HD1  TRP  29           HD1      TRP  29  -5.561  -1.002  -8.176
  220    HE1  TRP  29          1HE       TRP  29  -4.302  -1.304 -10.401
  221    HE3  TRP  29          3HE       TRP  29  -0.939   0.632  -6.723
  222    HZ2  TRP  29          2HZ       TRP  29  -1.694  -0.903 -11.405
  223    HZ3  TRP  29          3HZ       TRP  29   0.883   0.639  -8.377
  224    HH2  TRP  29           HH2      TRP  29   0.512  -0.112 -10.668
  225    H    THR  30           H        THR  30  -1.874  -1.208  -2.851
  226    HA   THR  30           HA       THR  30  -4.138  -0.505  -1.170
  227    HB   THR  30           HB       THR  30  -4.686  -2.570  -0.427
  228    HG1  THR  30          1HG       THR  30  -2.051  -2.765  -0.129
  229   1HG2  THR  30          1HG2      THR  30  -5.156  -3.377  -2.462
  230   2HG2  THR  30          2HG2      THR  30  -3.761  -4.412  -2.162
  231   3HG2  THR  30          3HG2      THR  30  -3.579  -2.940  -3.117
  232    H    TYR  31           H        TYR  31  -3.583  -0.198   1.026
  233    HA   TYR  31           HA       TYR  31  -0.702  -0.283   1.619
  234   1HB   TYR  31          2HB       TYR  31  -1.548   2.037   1.013
  235   2HB   TYR  31          1HB       TYR  31  -2.506   1.975   2.489
  236    HD1  TYR  31          1HD       TYR  31   1.030   1.358   1.427
  237    HD2  TYR  31          2HD       TYR  31  -1.600   2.990   4.348
  238    HE1  TYR  31          1HE       TYR  31   2.965   2.168   2.712
  239    HE2  TYR  31          2HE       TYR  31   0.328   3.805   5.638
  240    HH   TYR  31           HH       TYR  31   2.696   4.401   5.234
  241    H    CYS  32           H        CYS  32  -0.270  -1.377   3.410
  242    HA   CYS  32           HA       CYS  32  -2.443  -1.927   5.291
  243   1HB   CYS  32          2HB       CYS  32   0.088  -3.313   4.530
  244   2HB   CYS  32          1HB       CYS  32  -0.547  -3.566   6.148
  245    H    GLU  33           H        GLU  33  -1.618  -2.218   7.639
  246    HA   GLU  33           HA       GLU  33  -0.565   0.314   8.470
  247   1HB   GLU  33          2HB       GLU  33  -2.224  -0.515   9.895
  248   2HB   GLU  33          1HB       GLU  33  -1.542  -2.136   9.901
  249   1HG   GLU  33          2HG       GLU  33   0.485  -0.761  11.020
  250   2HG   GLU  33          1HG       GLU  33  -0.890   0.202  11.559
  251    H    ASN  34           H        ASN  34   0.602  -3.019   8.428
  252    HA   ASN  34           HA       ASN  34   3.210  -2.106   9.421
  253   1HB   ASN  34          2HB       ASN  34   1.872  -4.137  10.395
  254   2HB   ASN  34          1HB       ASN  34   2.517  -4.992   8.996
  255   1HD2  ASN  34          1HD2      ASN  34   3.191  -3.638  12.075
  256   2HD2  ASN  34          2HD2      ASN  34   4.837  -4.151  12.186
  257    H    ARG  35           H        ARG  35   4.931  -2.008   8.118
  258    HA   ARG  35           HA       ARG  35   4.657  -2.353   5.322
  259   1HB   ARG  35          2HB       ARG  35   6.551  -1.214   7.110
  260   2HB   ARG  35          1HB       ARG  35   7.413  -2.332   6.061
  261   1HG   ARG  35          2HG       ARG  35   5.605  -0.120   5.107
  262   2HG   ARG  35          1HG       ARG  35   7.365  -0.030   5.193
  263   1HD   ARG  35          2HD       ARG  35   7.223  -0.708   3.044
  264   2HD   ARG  35          1HD       ARG  35   7.094  -2.302   3.786
  265    HE   ARG  35           HE       ARG  35   4.547  -1.684   3.661
  266   1HH1  ARG  35          2HH1      ARG  35   7.029  -1.114   1.286
  267   2HH1  ARG  35          1HH1      ARG  35   5.946  -1.209  -0.060
  268   1HH2  ARG  35          1HH2      ARG  35   3.109  -1.813   1.894
  269   2HH2  ARG  35          2HH2      ARG  35   3.717  -1.607   0.284
  270    H    ASN  36           H        ASN  36   4.419  -4.723   7.277
  271    HA   ASN  36           HA       ASN  36   6.062  -6.560   5.669
  272   1HB   ASN  36          2HB       ASN  36   6.761  -6.078   8.180
  273   2HB   ASN  36          1HB       ASN  36   5.473  -7.229   8.522
  274   1HD2  ASN  36          1HD2      ASN  36   6.365  -8.238   5.658
  275   2HD2  ASN  36          2HD2      ASN  36   7.633  -9.342   6.060
  276    H    GLN  37           H        GLN  37   3.073  -5.564   6.430
  277    HA   GLN  37           HA       GLN  37   1.849  -8.229   6.381
  278   1HB   GLN  37          2HB       GLN  37   1.272  -5.999   7.895
  279   2HB   GLN  37          1HB       GLN  37   0.061  -5.922   6.623
  280   1HG   GLN  37          2HG       GLN  37  -0.573  -8.261   7.166
  281   2HG   GLN  37          1HG       GLN  37   0.554  -8.205   8.521
  282   1HE2  GLN  37          1HE2      GLN  37  -1.523  -8.749   9.632
  283   2HE2  GLN  37          2HE2      GLN  37  -2.494  -7.431  10.184
  284    H    LYS  38           H        LYS  38   0.413  -8.837   4.783
  285    HA   LYS  38           HA       LYS  38   0.510  -7.210   2.346
  286   1HB   LYS  38          2HB       LYS  38  -0.611  -9.919   2.171
  287   2HB   LYS  38          1HB       LYS  38   0.593  -9.130   1.161
  288   1HG   LYS  38          2HG       LYS  38   2.109  -9.477   3.283
  289   2HG   LYS  38          1HG       LYS  38   0.948 -10.764   3.613
  290   1HD   LYS  38          2HD       LYS  38   2.243 -10.500   0.921
  291   2HD   LYS  38          1HD       LYS  38   3.059 -11.331   2.248
  292   1HE   LYS  38          2HE       LYS  38   1.113 -12.823   2.478
  293   2HE   LYS  38          1HE       LYS  38   0.349 -12.012   1.113
  294   1HZ   LYS  38          1HZ       LYS  38   2.782 -12.705   0.143
  295   2HZ   LYS  38          2HZ       LYS  38   1.349 -13.562  -0.113
  296   3HZ   LYS  38          3HZ       LYS  38   2.397 -14.024   1.130
  297    H    CYS  39           H        CYS  39  -1.405  -7.013   1.029
  298    HA   CYS  39           HA       CYS  39  -3.856  -6.983   2.657
  299   1HB   CYS  39          2HB       CYS  39  -3.239  -4.777   1.908
  300   2HB   CYS  39          1HB       CYS  39  -3.074  -5.341   0.249
  301    H    CYS  40           H        CYS  40  -4.896  -8.823   2.298
  302    HA   CYS  40           HA       CYS  40  -5.128  -9.864  -0.421
  303   1HB   CYS  40          2HB       CYS  40  -6.387 -11.647   1.272
  304   2HB   CYS  40          1HB       CYS  40  -4.732 -11.770   0.689
  305    H    GLU  41           H        GLU  41  -7.061 -10.032  -1.472
  306    HA   GLU  41           HA       GLU  41  -9.056  -8.342  -1.391
  307   1HB   GLU  41          2HB       GLU  41  -8.797 -10.695  -2.635
  308   2HB   GLU  41          1HB       GLU  41 -10.045 -11.144  -1.482
  309   1HG   GLU  41          2HG       GLU  41 -10.274  -8.750  -3.276
  310   2HG   GLU  41          1HG       GLU  41 -10.835 -10.357  -3.738
  311    H    TYR  42           HN       TYR  42  -9.187 -11.270   0.642
  312    HA   TYR  42           HA       TYR  42 -10.711  -9.743   2.626
  313   1HB   TYR  42          2HB       TYR  42 -12.569 -10.827   1.925
  314   2HB   TYR  42          1HB       TYR  42 -11.648 -12.073   1.090
  315    HD1  TYR  42          1HD       TYR  42 -11.335 -14.197   2.062
  316    HD2  TYR  42          2HD       TYR  42 -12.863 -11.010   4.431
  317    HE1  TYR  42          1HE       TYR  42 -11.852 -15.791   3.860
  318    HE2  TYR  42          2HE       TYR  42 -13.384 -12.595   6.237
  319    HH   TYR  42           HH       TYR  42 -12.213 -15.795   6.271
  Start of MODEL   16
    1   1H    ILE   1          1H        ILE   1   3.481  12.453 -14.214
    2   2H    ILE   1          2H        ILE   1   4.457  12.227 -12.820
    3   3H    ILE   1          3H        ILE   1   2.810  12.678 -12.651
    4    HA   ILE   1           HA       ILE   1   2.215  10.622 -12.582
    5    HB   ILE   1           HB       ILE   1   1.785  10.428 -14.837
    6   1HG1  ILE   1          2HG1      ILE   1   3.884   8.389 -14.112
    7   2HG1  ILE   1          1HG1      ILE   1   2.131   8.198 -14.135
    8   1HG2  ILE   1          1HG2      ILE   1   3.752  11.906 -15.430
    9   2HG2  ILE   1          2HG2      ILE   1   3.327  10.665 -16.609
   10   3HG2  ILE   1          3HG2      ILE   1   4.709  10.429 -15.539
   11   1HD1  ILE   1          1HD1      ILE   1   2.117   7.627 -16.287
   12   2HD1  ILE   1          2HD1      ILE   1   3.848   7.362 -16.079
   13   3HD1  ILE   1          3HD1      ILE   1   3.262   8.894 -16.730
   14    H    MET   2           H        MET   2   2.901   8.404 -12.162
   15    HA   MET   2           HA       MET   2   5.503   7.461 -12.224
   16   1HB   MET   2          2HB       MET   2   6.341   7.831  -9.987
   17   2HB   MET   2          1HB       MET   2   5.987   9.385 -10.732
   18   1HG   MET   2          2HG       MET   2   3.726   8.331  -9.254
   19   2HG   MET   2          1HG       MET   2   5.160   8.526  -8.248
   20   1HE   MET   2          1HE       MET   2   4.248  11.823  -7.000
   21   2HE   MET   2          2HE       MET   2   4.717  10.141  -6.746
   22   3HE   MET   2          3HE       MET   2   3.031  10.548  -7.070
   23    H    PHE   3           H        PHE   3   5.455   6.361  -9.464
   24    HA   PHE   3           HA       PHE   3   3.004   4.799  -9.398
   25   1HB   PHE   3          2HB       PHE   3   4.575   2.697  -9.170
   26   2HB   PHE   3          1HB       PHE   3   4.077   3.275 -10.756
   27    HD1  PHE   3          1HD       PHE   3   5.741   3.164 -12.320
   28    HD2  PHE   3          2HD       PHE   3   6.758   4.168  -8.311
   29    HE1  PHE   3          1HE       PHE   3   8.102   3.385 -12.977
   30    HE2  PHE   3          2HE       PHE   3   9.120   4.392  -8.961
   31    HZ   PHE   3           HZ       PHE   3   9.794   4.000 -11.296
   32    H    PHE   4           H        PHE   4   5.102   2.923  -7.850
   33    HA   PHE   4           HA       PHE   4   5.072   2.477  -5.560
   34   1HB   PHE   4          2HB       PHE   4   7.260   3.624  -6.356
   35   2HB   PHE   4          1HB       PHE   4   6.676   5.017  -5.452
   36    HD1  PHE   4          1HD       PHE   4   6.268   1.448  -4.554
   37    HD2  PHE   4          2HD       PHE   4   8.241   5.124  -3.714
   38    HE1  PHE   4          1HE       PHE   4   7.180   0.481  -2.484
   39    HE2  PHE   4          2HE       PHE   4   9.158   4.163  -1.643
   40    HZ   PHE   4           HZ       PHE   4   8.629   1.838  -1.027
   41    H    GLU   5           H        GLU   5   2.659   3.515  -5.884
   42    HA   GLU   5           HA       GLU   5   2.245   4.963  -3.429
   43   1HB   GLU   5          2HB       GLU   5   2.706   6.787  -5.046
   44   2HB   GLU   5          1HB       GLU   5   1.368   6.221  -6.035
   45   1HG   GLU   5          2HG       GLU   5  -0.176   7.162  -4.714
   46   2HG   GLU   5          1HG       GLU   5   0.687   6.747  -3.233
   47    H    MET   6           H        MET   6   1.351   2.659  -3.396
   48    HA   MET   6           HA       MET   6  -0.960   1.965  -4.830
   49   1HB   MET   6          2HB       MET   6   0.107   1.049  -2.163
   50   2HB   MET   6          1HB       MET   6  -1.337   0.359  -2.894
   51   1HG   MET   6          2HG       MET   6   1.509   0.123  -3.724
   52   2HG   MET   6          1HG       MET   6   0.270  -1.121  -3.569
   53   1HE   MET   6          1HE       MET   6   2.453  -0.620  -5.640
   54   2HE   MET   6          2HE       MET   6   1.879  -0.323  -7.282
   55   3HE   MET   6          3HE       MET   6   1.472  -1.831  -6.463
   56    H    GLN   7           H        GLN   7  -2.688   1.182  -2.659
   57    HA   GLN   7           HA       GLN   7  -3.672   3.779  -1.697
   58   1HB   GLN   7          2HB       GLN   7  -5.219   1.646  -3.157
   59   2HB   GLN   7          1HB       GLN   7  -6.016   2.836  -2.136
   60   1HG   GLN   7          2HG       GLN   7  -4.321   3.422  -4.552
   61   2HG   GLN   7          1HG       GLN   7  -6.081   3.497  -4.467
   62   1HE2  GLN   7          1HE2      GLN   7  -6.014   5.679  -5.095
   63   2HE2  GLN   7          2HE2      GLN   7  -5.564   6.925  -3.986
   64    H    ALA   8           H        ALA   8  -4.238   3.802   0.391
   65    HA   ALA   8           HA       ALA   8  -3.566   1.932   2.226
   66   1HB   ALA   8          1HB       ALA   8  -4.204   3.980   3.107
   67   2HB   ALA   8          2HB       ALA   8  -5.503   2.910   3.631
   68   3HB   ALA   8          3HB       ALA   8  -5.747   3.981   2.252
   69    H    CYS   9           H        CYS   9  -4.095  -0.125   2.505
   70    HA   CYS   9           HA       CYS   9  -5.842  -1.677   1.216
   71   1HB   CYS   9          2HB       CYS   9  -4.237  -2.247   3.180
   72   2HB   CYS   9          1HB       CYS   9  -5.658  -2.028   4.191
   73    H    TRP  10           H        TRP  10  -6.683   0.727   3.554
   74    HA   TRP  10           HA       TRP  10  -9.379  -0.214   3.952
   75   1HB   TRP  10          2HB       TRP  10  -9.189   2.496   4.711
   76   2HB   TRP  10          1HB       TRP  10  -9.160   1.089   5.761
   77    HD1  TRP  10           HD1      TRP  10  -6.492  -0.031   5.942
   78    HE1  TRP  10          1HE       TRP  10  -4.325   1.300   6.351
   79    HE3  TRP  10          3HE       TRP  10  -8.107   4.564   4.484
   80    HZ2  TRP  10          2HZ       TRP  10  -3.424   3.972   6.084
   81    HZ3  TRP  10          3HZ       TRP  10  -6.545   6.469   4.581
   82    HH2  TRP  10           HH2      TRP  10  -4.249   6.174   5.369
   83    H    SER  11           H        SER  11  -7.915   2.629   2.382
   84    HA   SER  11           HA       SER  11  -9.904   4.028   1.369
   85   1HB   SER  11          2HB       SER  11  -7.509   4.302   0.725
   86   2HB   SER  11          1HB       SER  11  -7.705   2.979  -0.426
   87    HG   SER  11           HG       SER  11  -7.983   5.238  -1.208
   88    H    HIS  12           H        HIS  12  -9.305   0.707   0.558
   89    HA   HIS  12           HA       HIS  12 -11.573   0.769  -1.321
   90   1HB   HIS  12          2HB       HIS  12  -9.005  -0.717  -1.331
   91   2HB   HIS  12          1HB       HIS  12 -10.423  -1.596  -1.890
   92    HD1  HIS  12          1HD       HIS  12 -11.705  -0.504  -3.970
   93    HD2  HIS  12          2HD       HIS  12  -7.938   1.041  -3.138
   94    HE1  HIS  12          1HE       HIS  12 -11.022   0.750  -6.039
   95    HE2  HIS  12          2HE       HIS  12  -8.730   1.662  -5.521
   96    H    SER  13           H        SER  13 -10.281  -0.598   1.578
   97    HA   SER  13           HA       SER  13 -11.451  -1.656   3.266
   98   1HB   SER  13          2HB       SER  13 -13.543  -0.804   1.884
   99   2HB   SER  13          1HB       SER  13 -13.657  -2.507   1.439
  100    HG   SER  13           HG       SER  13 -14.556  -2.790   3.303
  101    H    GLY  14           H        GLY  14  -9.623  -3.090   2.991
  102   1HA   GLY  14          2HA       GLY  14 -10.447  -5.695   1.871
  103   2HA   GLY  14          1HA       GLY  14  -8.822  -5.068   1.647
  104    H    VAL  15           H        VAL  15  -7.879  -6.849   2.666
  105    HA   VAL  15           HA       VAL  15  -8.135  -6.810   5.594
  106    HB   VAL  15           HB       VAL  15  -7.521  -9.427   4.346
  107   1HG1  VAL  15          1HG1      VAL  15  -9.365  -9.850   6.284
  108   2HG1  VAL  15          2HG1      VAL  15  -8.628  -8.347   6.845
  109   3HG1  VAL  15          3HG1      VAL  15  -7.625  -9.772   6.566
  110   1HG2  VAL  15          1HG2      VAL  15  -9.315  -9.285   2.981
  111   2HG2  VAL  15          2HG2      VAL  15 -10.057  -7.985   3.914
  112   3HG2  VAL  15          3HG2      VAL  15 -10.201  -9.656   4.460
  113    H    CYS  16           H        CYS  16  -6.258  -7.784   6.704
  114    HA   CYS  16           HA       CYS  16  -3.786  -7.547   5.121
  115   1HB   CYS  16          2HB       CYS  16  -4.484  -6.345   7.779
  116   2HB   CYS  16          1HB       CYS  16  -2.808  -6.731   7.403
  117    H    ARG  17           H        ARG  17  -2.948  -9.521   4.985
  118    HA   ARG  17           HA       ARG  17  -3.029 -11.247   7.372
  119   1HB   ARG  17          2HB       ARG  17  -2.399 -12.726   5.003
  120   2HB   ARG  17          1HB       ARG  17  -3.780 -12.900   6.077
  121   1HG   ARG  17          2HG       ARG  17  -4.560 -10.742   4.687
  122   2HG   ARG  17          1HG       ARG  17  -3.563 -11.545   3.473
  123   1HD   ARG  17          2HD       ARG  17  -5.402 -12.740   3.020
  124   2HD   ARG  17          1HD       ARG  17  -5.012 -13.626   4.496
  125    HE   ARG  17           HE       ARG  17  -6.570 -11.314   5.055
  126   1HH1  ARG  17          2HH1      ARG  17  -6.767 -14.569   3.835
  127   2HH1  ARG  17          1HH1      ARG  17  -8.420 -14.785   4.303
  128   1HH2  ARG  17          1HH2      ARG  17  -8.748 -11.586   5.677
  129   2HH2  ARG  17          2HH2      ARG  17  -9.547 -13.087   5.351
  130    H    ASP  18           H        ASP  18  -1.178 -12.286   8.037
  131    HA   ASP  18           HA       ASP  18   1.210 -11.180   8.111
  132   1HB   ASP  18          2HB       ASP  18   0.826 -14.140   7.624
  133   2HB   ASP  18          1HB       ASP  18   2.259 -13.395   8.325
  134    H    LYS  19           H        LYS  19   2.921 -10.712   6.865
  135    HA   LYS  19           HA       LYS  19   2.690 -10.688   4.073
  136   1HB   LYS  19          2HB       LYS  19   4.397  -9.269   4.287
  137   2HB   LYS  19          1HB       LYS  19   4.472  -9.659   6.000
  138   1HG   LYS  19          2HG       LYS  19   6.587 -10.214   5.470
  139   2HG   LYS  19          1HG       LYS  19   5.831 -11.745   5.026
  140   1HD   LYS  19          2HD       LYS  19   5.575 -10.785   2.696
  141   2HD   LYS  19          1HD       LYS  19   6.640  -9.479   3.218
  142   1HE   LYS  19          2HE       LYS  19   7.404 -11.936   2.169
  143   2HE   LYS  19          1HE       LYS  19   8.448 -10.754   2.958
  144   1HZ   LYS  19          1HZ       LYS  19   8.113 -13.280   3.790
  145   2HZ   LYS  19          2HZ       LYS  19   6.992 -12.472   4.768
  146   3HZ   LYS  19          3HZ       LYS  19   8.619 -12.010   4.785
  147    H    SER  20           H        SER  20   2.747 -13.349   5.701
  148    HA   SER  20           HA       SER  20   4.268 -14.801   3.665
  149   1HB   SER  20          2HB       SER  20   5.370 -14.468   6.113
  150   2HB   SER  20          1HB       SER  20   4.426 -15.929   6.398
  151    HG   SER  20           HG       SER  20   6.761 -15.815   5.295
  152    H    GLU  21           H        GLU  21   1.386 -14.248   4.878
  153    HA   GLU  21           HA       GLU  21   0.250 -16.604   5.700
  154   1HB   GLU  21          2HB       GLU  21  -0.739 -14.204   5.410
  155   2HB   GLU  21          1HB       GLU  21  -1.251 -14.802   3.840
  156   1HG   GLU  21          2HG       GLU  21  -1.971 -16.772   5.685
  157   2HG   GLU  21          1HG       GLU  21  -2.401 -15.234   6.431
  158    H    ARG  22           H        ARG  22  -0.735 -18.266   4.727
  159    HA   ARG  22           HA       ARG  22   0.193 -18.915   2.046
  160   1HB   ARG  22          2HB       ARG  22  -0.579 -20.417   4.453
  161   2HB   ARG  22          1HB       ARG  22  -1.093 -21.140   2.940
  162   1HG   ARG  22          2HG       ARG  22   1.591 -20.339   2.609
  163   2HG   ARG  22          1HG       ARG  22   1.473 -21.171   4.160
  164   1HD   ARG  22          2HD       ARG  22   0.650 -22.210   1.453
  165   2HD   ARG  22          1HD       ARG  22   1.968 -22.795   2.468
  166    HE   ARG  22           HE       ARG  22  -0.358 -23.042   3.954
  167   1HH1  ARG  22          2HH1      ARG  22   0.954 -24.308   0.990
  168   2HH1  ARG  22          1HH1      ARG  22   0.101 -25.810   1.100
  169   1HH2  ARG  22          1HH2      ARG  22  -1.487 -25.017   4.113
  170   2HH2  ARG  22          2HH2      ARG  22  -1.288 -26.215   2.878
  171    H    ASN  23           H        ASN  23  -2.567 -17.759   3.588
  172    HA   ASN  23           HA       ASN  23  -4.222 -18.466   1.257
  173   1HB   ASN  23          2HB       ASN  23  -4.740 -19.556   3.611
  174   2HB   ASN  23          1HB       ASN  23  -5.502 -17.998   3.917
  175   1HD2  ASN  23          1HD2      ASN  23  -5.618 -20.942   2.103
  176   2HD2  ASN  23          2HD2      ASN  23  -7.200 -20.718   1.445
  177    H    CYS  24           H        CYS  24  -2.938 -16.264   0.887
  178    HA   CYS  24           HA       CYS  24  -4.753 -14.089   1.700
  179   1HB   CYS  24          2HB       CYS  24  -2.457 -13.923   2.665
  180   2HB   CYS  24          1HB       CYS  24  -1.815 -13.834   1.028
  181    H    LYS  25           H        LYS  25  -5.920 -13.310   0.083
  182    HA   LYS  25           HA       LYS  25  -5.276 -13.907  -2.657
  183   1HB   LYS  25          2HB       LYS  25  -7.382 -11.915  -2.082
  184   2HB   LYS  25          1HB       LYS  25  -7.426 -13.330  -3.123
  185   1HG   LYS  25          2HG       LYS  25  -7.942 -14.762  -1.351
  186   2HG   LYS  25          1HG       LYS  25  -7.446 -13.582  -0.136
  187   1HD   LYS  25          2HD       LYS  25  -9.545 -12.862  -0.002
  188   2HD   LYS  25          1HD       LYS  25  -9.479 -12.385  -1.700
  189   1HE   LYS  25          2HE       LYS  25  -9.820 -15.151  -1.736
  190   2HE   LYS  25          1HE       LYS  25 -10.885 -14.579  -0.452
  191   1HZ   LYS  25          1HZ       LYS  25 -11.097 -12.892  -2.709
  192   2HZ   LYS  25          2HZ       LYS  25 -12.297 -13.820  -1.961
  193   3HZ   LYS  25          3HZ       LYS  25 -11.343 -14.498  -3.182
  194    HA   PRO  26           HA       PRO  26  -2.360 -10.434  -2.847
  195   1HB   PRO  26          2HB       PRO  26  -2.886 -11.171  -5.702
  196   2HB   PRO  26          1HB       PRO  26  -1.356 -10.771  -4.910
  197   1HG   PRO  26          2HG       PRO  26  -2.029 -13.310  -5.411
  198   2HG   PRO  26          1HG       PRO  26  -1.161 -12.859  -3.932
  199   1HD   PRO  26          2HD       PRO  26  -3.972 -13.707  -4.281
  200   2HD   PRO  26          1HD       PRO  26  -2.931 -13.809  -2.850
  201    H    MET  27           H        MET  27  -3.545  -8.641  -2.290
  202    HA   MET  27           HA       MET  27  -5.548  -7.657  -4.193
  203   1HB   MET  27          2HB       MET  27  -5.868  -7.876  -1.593
  204   2HB   MET  27          1HB       MET  27  -4.997  -6.351  -1.557
  205   1HG   MET  27          2HG       MET  27  -7.714  -6.965  -2.553
  206   2HG   MET  27          1HG       MET  27  -7.124  -5.574  -1.644
  207   1HE   MET  27          1HE       MET  27  -7.025  -6.795  -5.820
  208   2HE   MET  27          2HE       MET  27  -8.459  -5.785  -5.642
  209   3HE   MET  27          3HE       MET  27  -8.198  -7.146  -4.552
  210    H    ALA  28           H        ALA  28  -4.077  -6.908  -5.773
  211    HA   ALA  28           HA       ALA  28  -1.892  -5.252  -5.359
  212   1HB   ALA  28          1HB       ALA  28  -3.728  -5.719  -7.662
  213   2HB   ALA  28          2HB       ALA  28  -2.009  -6.082  -7.501
  214   3HB   ALA  28          3HB       ALA  28  -2.539  -4.419  -7.751
  215    H    TRP  29           H        TRP  29  -2.025  -2.945  -6.582
  216    HA   TRP  29           HA       TRP  29  -2.344  -0.762  -5.958
  217   1HB   TRP  29          2HB       TRP  29  -5.185  -1.551  -6.611
  218   2HB   TRP  29          1HB       TRP  29  -4.454   0.041  -6.774
  219    HD1  TRP  29           HD1      TRP  29  -5.541  -2.512  -8.960
  220    HE1  TRP  29          1HE       TRP  29  -4.171  -2.621 -11.137
  221    HE3  TRP  29          3HE       TRP  29  -1.474   0.210  -7.491
  222    HZ2  TRP  29          2HZ       TRP  29  -1.689  -1.678 -12.103
  223    HZ3  TRP  29          3HZ       TRP  29   0.355   0.560  -9.100
  224    HH2  TRP  29           HH2      TRP  29   0.249  -0.365 -11.357
  225    H    THR  30           H        THR  30  -1.867  -1.306  -3.677
  226    HA   THR  30           HA       THR  30  -3.155   0.090  -1.840
  227    HB   THR  30           HB       THR  30  -5.289  -0.812  -2.104
  228    HG1  THR  30          1HG       THR  30  -4.661  -0.870   0.091
  229   1HG2  THR  30          1HG2      THR  30  -5.009  -2.672  -3.489
  230   2HG2  THR  30          2HG2      THR  30  -5.691  -3.310  -1.994
  231   3HG2  THR  30          3HG2      THR  30  -3.968  -3.490  -2.323
  232    H    TYR  31           H        TYR  31  -2.357  -0.186   0.237
  233    HA   TYR  31           HA       TYR  31  -0.616  -2.526   0.641
  234   1HB   TYR  31          2HB       TYR  31   0.956  -1.052   1.851
  235   2HB   TYR  31          1HB       TYR  31   0.772  -0.586   0.163
  236    HD1  TYR  31          1HD       TYR  31  -1.699   0.178   2.795
  237    HD2  TYR  31          2HD       TYR  31   1.481   1.680   0.403
  238    HE1  TYR  31          1HE       TYR  31  -2.260   2.466   3.496
  239    HE2  TYR  31          2HE       TYR  31   0.930   3.972   1.098
  240    HH   TYR  31           HH       TYR  31  -1.549   4.611   3.528
  241    H    CYS  32           H        CYS  32   0.078  -2.543   3.102
  242    HA   CYS  32           HA       CYS  32  -2.431  -2.492   4.612
  243   1HB   CYS  32          2HB       CYS  32   0.034  -4.144   4.688
  244   2HB   CYS  32          1HB       CYS  32  -0.768  -3.845   6.224
  245    H    GLU  33           H        GLU  33  -1.548  -2.476   7.179
  246    HA   GLU  33           HA       GLU  33  -0.558   0.267   7.447
  247   1HB   GLU  33          2HB       GLU  33  -1.893  -1.527   9.482
  248   2HB   GLU  33          1HB       GLU  33  -1.443   0.152   9.740
  249   1HG   GLU  33          2HG       GLU  33  -2.970   0.349   7.506
  250   2HG   GLU  33          1HG       GLU  33  -3.745  -0.994   8.343
  251    H    ASN  34           H        ASN  34   0.232  -3.034   8.205
  252    HA   ASN  34           HA       ASN  34   2.544  -2.177   9.790
  253   1HB   ASN  34          2HB       ASN  34   0.768  -4.174  10.279
  254   2HB   ASN  34          1HB       ASN  34   2.035  -5.065   9.440
  255   1HD2  ASN  34          1HD2      ASN  34   1.205  -3.218  12.257
  256   2HD2  ASN  34          2HD2      ASN  34   2.596  -3.638  13.194
  257    H    ARG  35           H        ARG  35   4.539  -2.225   8.983
  258    HA   ARG  35           HA       ARG  35   5.055  -2.692   6.273
  259   1HB   ARG  35          2HB       ARG  35   6.466  -1.691   8.487
  260   2HB   ARG  35          1HB       ARG  35   7.434  -3.024   7.873
  261   1HG   ARG  35          2HG       ARG  35   7.017  -1.867   5.563
  262   2HG   ARG  35          1HG       ARG  35   6.707  -0.450   6.569
  263   1HD   ARG  35          2HD       ARG  35   9.000  -0.360   6.030
  264   2HD   ARG  35          1HD       ARG  35   8.921  -0.931   7.696
  265    HE   ARG  35           HE       ARG  35   9.107  -3.241   6.545
  266   1HH1  ARG  35          2HH1      ARG  35  10.673  -0.302   5.525
  267   2HH1  ARG  35          1HH1      ARG  35  12.024  -1.116   4.810
  268   1HH2  ARG  35          1HH2      ARG  35  10.881  -4.325   5.606
  269   2HH2  ARG  35          2HH2      ARG  35  12.142  -3.404   4.856
  270    H    ASN  36           H        ASN  36   3.981  -4.984   8.081
  271    HA   ASN  36           HA       ASN  36   5.654  -7.046   6.857
  272   1HB   ASN  36          2HB       ASN  36   6.069  -6.516   9.414
  273   2HB   ASN  36          1HB       ASN  36   4.619  -7.495   9.621
  274   1HD2  ASN  36          1HD2      ASN  36   4.748  -9.513   8.055
  275   2HD2  ASN  36          2HD2      ASN  36   6.199 -10.427   8.227
  276    H    GLN  37           H        GLN  37   2.724  -5.704   7.097
  277    HA   GLN  37           HA       GLN  37   1.271  -8.255   6.916
  278   1HB   GLN  37          2HB       GLN  37   0.736  -5.968   8.417
  279   2HB   GLN  37          1HB       GLN  37  -0.404  -5.894   7.082
  280   1HG   GLN  37          2HG       GLN  37  -0.995  -8.297   7.654
  281   2HG   GLN  37          1HG       GLN  37  -0.089  -8.047   9.147
  282   1HE2  GLN  37          1HE2      GLN  37  -2.550  -8.710   9.578
  283   2HE2  GLN  37          2HE2      GLN  37  -3.549  -7.368  10.007
  284    H    LYS  38           H        LYS  38  -0.035  -8.690   5.172
  285    HA   LYS  38           HA       LYS  38   0.418  -7.004   2.816
  286   1HB   LYS  38          2HB       LYS  38  -0.888  -9.623   2.476
  287   2HB   LYS  38          1HB       LYS  38   0.424  -8.891   1.561
  288   1HG   LYS  38          2HG       LYS  38   1.833  -9.392   3.681
  289   2HG   LYS  38          1HG       LYS  38   0.537 -10.530   4.051
  290   1HD   LYS  38          2HD       LYS  38   1.386 -10.745   1.293
  291   2HD   LYS  38          1HD       LYS  38   2.735 -10.977   2.405
  292   1HE   LYS  38          2HE       LYS  38   2.033 -13.066   2.701
  293   2HE   LYS  38          1HE       LYS  38   0.616 -12.409   3.520
  294   1HZ   LYS  38          1HZ       LYS  38  -0.697 -12.796   1.749
  295   2HZ   LYS  38          2HZ       LYS  38   0.472 -13.960   1.375
  296   3HZ   LYS  38          3HZ       LYS  38   0.511 -12.451   0.614
  297    H    CYS  39           H        CYS  39  -1.344  -6.719   1.286
  298    HA   CYS  39           HA       CYS  39  -3.948  -6.523   2.642
  299   1HB   CYS  39          2HB       CYS  39  -2.973  -4.350   1.996
  300   2HB   CYS  39          1HB       CYS  39  -2.903  -4.887   0.322
  301    H    CYS  40           H        CYS  40  -5.186  -8.161   2.062
  302    HA   CYS  40           HA       CYS  40  -5.146  -9.050  -0.739
  303   1HB   CYS  40          2HB       CYS  40  -5.338 -10.466   1.844
  304   2HB   CYS  40          1HB       CYS  40  -6.390 -11.062   0.571
  305    H    GLU  41           H        GLU  41  -7.334 -10.195  -1.287
  306    HA   GLU  41           HA       GLU  41  -9.308  -8.268  -1.499
  307   1HB   GLU  41          2HB       GLU  41  -8.974 -11.009  -2.229
  308   2HB   GLU  41          1HB       GLU  41 -10.572 -10.813  -1.530
  309   1HG   GLU  41          2HG       GLU  41  -9.411  -9.499  -3.951
  310   2HG   GLU  41          1HG       GLU  41 -10.882 -10.458  -3.808
  311    H    TYR  42           HN       TYR  42 -10.075 -11.263   0.208
  312    HA   TYR  42           HA       TYR  42 -11.144  -9.665   2.433
  313   1HB   TYR  42          2HB       TYR  42 -12.965 -10.432   0.930
  314   2HB   TYR  42          1HB       TYR  42 -12.467 -12.092   1.230
  315    HD1  TYR  42          1HD       TYR  42 -14.611 -12.752   2.135
  316    HD2  TYR  42          2HD       TYR  42 -12.413  -9.553   3.876
  317    HE1  TYR  42          1HE       TYR  42 -16.069 -12.833   4.113
  318    HE2  TYR  42          2HE       TYR  42 -13.865  -9.626   5.859
  319    HH   TYR  42           HH       TYR  42 -16.785 -11.361   5.935
  Start of MODEL   17
    1   1H    ILE   1          1H        ILE   1  10.963   8.950  -9.448
    2   2H    ILE   1          2H        ILE   1  12.287   8.103  -8.759
    3   3H    ILE   1          3H        ILE   1  12.515   9.674  -9.415
    4    HA   ILE   1           HA       ILE   1  12.313   9.320  -6.900
    5    HB   ILE   1           HB       ILE   1  12.579  11.510  -7.645
    6   1HG1  ILE   1          2HG1      ILE   1  10.900  12.835  -6.483
    7   2HG1  ILE   1          1HG1      ILE   1   9.767  11.488  -6.526
    8   1HG2  ILE   1          1HG2      ILE   1  10.486  10.810  -9.484
    9   2HG2  ILE   1          2HG2      ILE   1  11.687  12.098  -9.589
   10   3HG2  ILE   1          3HG2      ILE   1  10.159  12.381  -8.751
   11   1HD1  ILE   1          1HD1      ILE   1  11.493  10.206  -5.172
   12   2HD1  ILE   1          2HD1      ILE   1  10.625  11.505  -4.355
   13   3HD1  ILE   1          3HD1      ILE   1  12.277  11.763  -4.916
   14    H    MET   2           H        MET   2  10.997   7.461  -6.422
   15    HA   MET   2           HA       MET   2   8.172   8.178  -6.009
   16   1HB   MET   2          2HB       MET   2   9.153   6.116  -7.653
   17   2HB   MET   2          1HB       MET   2   8.528   5.326  -6.211
   18   1HG   MET   2          2HG       MET   2   7.067   6.103  -8.403
   19   2HG   MET   2          1HG       MET   2   6.423   5.672  -6.819
   20   1HE   MET   2          1HE       MET   2   4.818   8.831  -8.746
   21   2HE   MET   2          2HE       MET   2   4.068   7.793  -7.532
   22   3HE   MET   2          3HE       MET   2   5.007   7.080  -8.842
   23    H    PHE   3           H        PHE   3   7.147   7.162  -4.185
   24    HA   PHE   3           HA       PHE   3   8.993   6.049  -2.192
   25   1HB   PHE   3          2HB       PHE   3   7.104   8.370  -1.820
   26   2HB   PHE   3          1HB       PHE   3   7.710   7.428  -0.462
   27    HD1  PHE   3          1HD       PHE   3  10.322   7.150  -0.392
   28    HD2  PHE   3          2HD       PHE   3   8.269  10.240  -2.476
   29    HE1  PHE   3          1HE       PHE   3  12.355   8.533  -0.333
   30    HE2  PHE   3          2HE       PHE   3  10.298  11.630  -2.422
   31    HZ   PHE   3           HZ       PHE   3  12.345  10.776  -1.349
   32    H    PHE   4           H        PHE   4   5.542   6.929  -2.434
   33    HA   PHE   4           HA       PHE   4   4.731   4.172  -2.310
   34   1HB   PHE   4          2HB       PHE   4   3.653   4.178  -0.201
   35   2HB   PHE   4          1HB       PHE   4   5.258   4.841   0.092
   36    HD1  PHE   4          1HD       PHE   4   5.105   7.592  -0.598
   37    HD2  PHE   4          2HD       PHE   4   2.132   5.144   1.212
   38    HE1  PHE   4          1HE       PHE   4   4.093   9.587   0.428
   39    HE2  PHE   4          2HE       PHE   4   1.115   7.133   2.240
   40    HZ   PHE   4           HZ       PHE   4   2.095   9.357   1.847
   41    H    GLU   5           H        GLU   5   3.253   4.198  -3.868
   42    HA   GLU   5           HA       GLU   5   1.176   6.284  -3.776
   43   1HB   GLU   5          2HB       GLU   5   2.993   5.604  -5.927
   44   2HB   GLU   5          1HB       GLU   5   1.318   5.411  -6.429
   45   1HG   GLU   5          2HG       GLU   5   2.202   7.904  -5.038
   46   2HG   GLU   5          1HG       GLU   5   2.490   7.685  -6.763
   47    H    MET   6           H        MET   6   0.834   3.922  -2.438
   48    HA   MET   6           HA       MET   6  -0.749   2.185  -4.176
   49   1HB   MET   6          2HB       MET   6   0.399   1.906  -1.423
   50   2HB   MET   6          1HB       MET   6  -0.936   0.875  -1.922
   51   1HG   MET   6          2HG       MET   6   0.482   0.262  -3.933
   52   2HG   MET   6          1HG       MET   6   1.821   1.042  -3.093
   53   1HE   MET   6          1HE       MET   6   1.205  -3.101  -3.127
   54   2HE   MET   6          2HE       MET   6   2.677  -2.181  -3.440
   55   3HE   MET   6          3HE       MET   6   1.183  -1.767  -4.281
   56    H    GLN   7           H        GLN   7  -2.436   1.244  -2.010
   57    HA   GLN   7           HA       GLN   7  -4.058   3.575  -1.326
   58   1HB   GLN   7          2HB       GLN   7  -4.792   1.489  -3.288
   59   2HB   GLN   7          1HB       GLN   7  -6.035   1.902  -2.116
   60   1HG   GLN   7          2HG       GLN   7  -4.606   4.020  -3.675
   61   2HG   GLN   7          1HG       GLN   7  -5.988   3.156  -4.346
   62   1HE2  GLN   7          1HE2      GLN   7  -7.887   4.053  -4.025
   63   2HE2  GLN   7          2HE2      GLN   7  -8.297   5.153  -2.756
   64    H    ALA   8           H        ALA   8  -4.149   3.385   0.817
   65    HA   ALA   8           HA       ALA   8  -3.695   1.468   2.549
   66   1HB   ALA   8          1HB       ALA   8  -5.971   2.295   3.722
   67   2HB   ALA   8          2HB       ALA   8  -5.760   3.571   2.523
   68   3HB   ALA   8          3HB       ALA   8  -4.485   3.245   3.696
   69    H    CYS   9           H        CYS   9  -4.181  -0.600   2.807
   70    HA   CYS   9           HA       CYS   9  -5.815  -2.134   1.275
   71   1HB   CYS   9          2HB       CYS   9  -4.164  -2.858   3.094
   72   2HB   CYS   9          1HB       CYS   9  -5.504  -2.685   4.220
   73    H    TRP  10           H        TRP  10  -6.756  -0.095   3.937
   74    HA   TRP  10           HA       TRP  10  -9.374  -1.202   4.258
   75   1HB   TRP  10          2HB       TRP  10  -9.427   1.424   5.209
   76   2HB   TRP  10          1HB       TRP  10  -9.133  -0.027   6.153
   77    HD1  TRP  10           HD1      TRP  10  -6.367  -0.755   6.234
   78    HE1  TRP  10          1HE       TRP  10  -4.362   0.838   6.537
   79    HE3  TRP  10          3HE       TRP  10  -8.609   3.583   4.856
   80    HZ2  TRP  10          2HZ       TRP  10  -3.818   3.603   6.224
   81    HZ3  TRP  10          3HZ       TRP  10  -7.301   5.675   4.876
   82    HH2  TRP  10           HH2      TRP  10  -4.950   5.679   5.549
   83    H    SER  11           H        SER  11  -8.204   1.880   2.895
   84    HA   SER  11           HA       SER  11 -10.594   2.849   1.923
   85   1HB   SER  11          2HB       SER  11  -8.506   4.149   1.932
   86   2HB   SER  11          1HB       SER  11  -7.863   3.129   0.647
   87    HG   SER  11           HG       SER  11 -10.205   3.990  -0.180
   88    H    HIS  12           H        HIS  12  -9.245  -0.040   1.116
   89    HA   HIS  12           HA       HIS  12 -10.693  -0.112  -1.447
   90   1HB   HIS  12          2HB       HIS  12  -7.917  -0.460  -1.079
   91   2HB   HIS  12          1HB       HIS  12  -8.576  -2.062  -1.390
   92    HD1  HIS  12          1HD       HIS  12 -10.182  -2.135  -3.636
   93    HD2  HIS  12          2HD       HIS  12  -7.425   0.959  -3.329
   94    HE1  HIS  12          1HE       HIS  12  -9.902  -1.251  -5.974
   95    HE2  HIS  12          2HE       HIS  12  -8.271   0.658  -5.755
   96    H    SER  13           H        SER  13 -11.695  -0.805   1.137
   97    HA   SER  13           HA       SER  13 -12.432  -2.612   2.409
   98   1HB   SER  13          2HB       SER  13 -13.957  -2.037   0.273
   99   2HB   SER  13          1HB       SER  13 -13.580  -3.719  -0.098
  100    HG   SER  13           HG       SER  13 -15.470  -2.988   1.418
  101    H    GLY  14           H        GLY  14 -10.050  -3.391   2.416
  102   1HA   GLY  14          2HA       GLY  14 -10.036  -6.139   1.332
  103   2HA   GLY  14          1HA       GLY  14  -8.606  -5.120   1.264
  104    H    VAL  15           H        VAL  15  -7.581  -6.894   2.429
  105    HA   VAL  15           HA       VAL  15  -7.908  -6.542   5.319
  106    HB   VAL  15           HB       VAL  15  -7.727  -9.242   3.976
  107   1HG1  VAL  15          1HG1      VAL  15  -7.604  -8.392   6.850
  108   2HG1  VAL  15          2HG1      VAL  15  -6.506  -9.447   5.961
  109   3HG1  VAL  15          3HG1      VAL  15  -8.122 -10.014   6.386
  110   1HG2  VAL  15          1HG2      VAL  15  -9.965  -7.628   4.551
  111   2HG2  VAL  15          2HG2      VAL  15  -9.960  -8.938   5.732
  112   3HG2  VAL  15          3HG2      VAL  15  -9.946  -9.304   4.007
  113    H    CYS  16           H        CYS  16  -6.048  -7.372   6.555
  114    HA   CYS  16           HA       CYS  16  -3.571  -7.476   4.973
  115   1HB   CYS  16          2HB       CYS  16  -3.679  -6.074   7.630
  116   2HB   CYS  16          1HB       CYS  16  -2.473  -5.931   6.357
  117    H    ARG  17           H        ARG  17  -2.725  -9.424   5.285
  118    HA   ARG  17           HA       ARG  17  -2.752 -10.534   8.014
  119   1HB   ARG  17          2HB       ARG  17  -2.481 -12.617   6.076
  120   2HB   ARG  17          1HB       ARG  17  -3.747 -12.387   7.273
  121   1HG   ARG  17          2HG       ARG  17  -4.308 -10.558   5.237
  122   2HG   ARG  17          1HG       ARG  17  -3.845 -12.054   4.423
  123   1HD   ARG  17          2HD       ARG  17  -6.280 -11.409   5.796
  124   2HD   ARG  17          1HD       ARG  17  -5.891 -12.823   4.816
  125    HE   ARG  17           HE       ARG  17  -5.165 -13.939   6.787
  126   1HH1  ARG  17          2HH1      ARG  17  -6.624 -10.832   7.368
  127   2HH1  ARG  17          1HH1      ARG  17  -6.943 -11.149   9.041
  128   1HH2  ARG  17          1HH2      ARG  17  -5.578 -14.368   8.989
  129   2HH2  ARG  17          2HH2      ARG  17  -6.346 -13.160   9.962
  130    H    ASP  18           H        ASP  18  -0.988 -12.064   8.459
  131    HA   ASP  18           HA       ASP  18   1.496 -11.072   8.239
  132   1HB   ASP  18          2HB       ASP  18   0.798 -14.015   8.172
  133   2HB   ASP  18          1HB       ASP  18   2.370 -13.352   8.605
  134    H    LYS  19           H        LYS  19   3.178 -11.072   6.847
  135    HA   LYS  19           HA       LYS  19   2.715 -11.129   4.103
  136   1HB   LYS  19          2HB       LYS  19   5.312 -11.326   4.018
  137   2HB   LYS  19          1HB       LYS  19   4.575  -9.885   4.704
  138   1HG   LYS  19          2HG       LYS  19   6.530 -10.942   5.957
  139   2HG   LYS  19          1HG       LYS  19   5.095 -10.504   6.887
  140   1HD   LYS  19          2HD       LYS  19   5.540 -12.628   7.678
  141   2HD   LYS  19          1HD       LYS  19   4.370 -12.960   6.400
  142   1HE   LYS  19          2HE       LYS  19   5.840 -14.258   5.361
  143   2HE   LYS  19          1HE       LYS  19   6.978 -12.914   5.258
  144   1HZ   LYS  19          1HZ       LYS  19   7.502 -15.145   6.572
  145   2HZ   LYS  19          2HZ       LYS  19   6.791 -14.266   7.830
  146   3HZ   LYS  19          3HZ       LYS  19   8.147 -13.647   7.027
  147    H    SER  20           H        SER  20   3.337 -13.707   6.276
  148    HA   SER  20           HA       SER  20   4.028 -15.526   4.079
  149   1HB   SER  20          2HB       SER  20   4.989 -15.308   6.705
  150   2HB   SER  20          1HB       SER  20   4.001 -16.768   6.695
  151    HG   SER  20           HG       SER  20   5.245 -17.568   5.021
  152    H    GLU  21           H        GLU  21   1.300 -14.372   5.095
  153    HA   GLU  21           HA       GLU  21  -0.255 -16.472   6.037
  154   1HB   GLU  21          2HB       GLU  21  -0.740 -13.897   5.678
  155   2HB   GLU  21          1HB       GLU  21  -1.461 -14.474   4.186
  156   1HG   GLU  21          2HG       GLU  21  -2.402 -16.151   6.224
  157   2HG   GLU  21          1HG       GLU  21  -2.507 -14.506   6.844
  158    H    ARG  22           H        ARG  22  -1.652 -17.843   5.039
  159    HA   ARG  22           HA       ARG  22  -0.857 -18.681   2.362
  160   1HB   ARG  22          2HB       ARG  22  -1.890 -19.999   4.778
  161   2HB   ARG  22          1HB       ARG  22  -2.556 -20.605   3.273
  162   1HG   ARG  22          2HG       ARG  22   0.247 -20.339   2.952
  163   2HG   ARG  22          1HG       ARG  22  -0.065 -21.191   4.466
  164   1HD   ARG  22          2HD       ARG  22  -1.337 -22.866   3.359
  165   2HD   ARG  22          1HD       ARG  22  -1.376 -21.937   1.861
  166    HE   ARG  22           HE       ARG  22   1.007 -22.397   1.634
  167   1HH1  ARG  22          2HH1      ARG  22  -0.793 -24.327   3.906
  168   2HH1  ARG  22          1HH1      ARG  22   0.327 -25.648   3.870
  169   1HH2  ARG  22          1HH2      ARG  22   2.486 -24.132   1.576
  170   2HH2  ARG  22          2HH2      ARG  22   2.192 -25.538   2.544
  171    H    ASN  23           H        ASN  23  -3.340 -17.013   3.924
  172    HA   ASN  23           HA       ASN  23  -5.122 -17.432   1.615
  173   1HB   ASN  23          2HB       ASN  23  -5.795 -18.284   4.046
  174   2HB   ASN  23          1HB       ASN  23  -6.278 -16.600   4.232
  175   1HD2  ASN  23          1HD2      ASN  23  -8.447 -17.060   4.348
  176   2HD2  ASN  23          2HD2      ASN  23  -9.364 -17.600   2.987
  177    H    CYS  24           H        CYS  24  -3.608 -15.570   0.954
  178    HA   CYS  24           HA       CYS  24  -4.901 -13.045   1.749
  179   1HB   CYS  24          2HB       CYS  24  -2.354 -13.601   2.407
  180   2HB   CYS  24          1HB       CYS  24  -2.091 -12.940   0.798
  181    H    LYS  25           H        LYS  25  -6.252 -12.816   0.027
  182    HA   LYS  25           HA       LYS  25  -5.695 -13.460  -2.633
  183   1HB   LYS  25          2HB       LYS  25  -7.561 -11.365  -1.508
  184   2HB   LYS  25          1HB       LYS  25  -7.557 -11.893  -3.184
  185   1HG   LYS  25          2HG       LYS  25  -9.281 -13.113  -2.236
  186   2HG   LYS  25          1HG       LYS  25  -7.930 -14.248  -2.226
  187   1HD   LYS  25          2HD       LYS  25  -7.555 -13.121   0.170
  188   2HD   LYS  25          1HD       LYS  25  -9.300 -12.896   0.028
  189   1HE   LYS  25          2HE       LYS  25  -8.036 -15.557  -0.525
  190   2HE   LYS  25          1HE       LYS  25  -8.408 -15.057   1.124
  191   1HZ   LYS  25          1HZ       LYS  25 -10.194 -15.843  -1.019
  192   2HZ   LYS  25          2HZ       LYS  25 -10.713 -14.522  -0.101
  193   3HZ   LYS  25          3HZ       LYS  25 -10.378 -15.997   0.655
  194    HA   PRO  26           HA       PRO  26  -2.338 -10.503  -3.280
  195   1HB   PRO  26          2HB       PRO  26  -3.066 -11.378  -6.046
  196   2HB   PRO  26          1HB       PRO  26  -1.469 -11.186  -5.312
  197   1HG   PRO  26          2HG       PRO  26  -2.554 -13.604  -5.601
  198   2HG   PRO  26          1HG       PRO  26  -1.611 -13.190  -4.158
  199   1HD   PRO  26          2HD       PRO  26  -4.544 -13.525  -4.470
  200   2HD   PRO  26          1HD       PRO  26  -3.521 -13.791  -3.045
  201    H    MET  27           H        MET  27  -3.728  -8.716  -2.650
  202    HA   MET  27           HA       MET  27  -5.216  -7.478  -4.859
  203   1HB   MET  27          2HB       MET  27  -5.984  -7.848  -2.287
  204   2HB   MET  27          1HB       MET  27  -5.289  -6.237  -2.177
  205   1HG   MET  27          2HG       MET  27  -7.614  -6.002  -2.592
  206   2HG   MET  27          1HG       MET  27  -6.757  -5.547  -4.063
  207   1HE   MET  27          1HE       MET  27  -8.590  -5.657  -5.619
  208   2HE   MET  27          2HE       MET  27  -9.869  -6.130  -4.500
  209   3HE   MET  27          3HE       MET  27  -9.617  -7.040  -5.989
  210    H    ALA  28           H        ALA  28  -3.656  -6.478  -6.062
  211    HA   ALA  28           HA       ALA  28  -1.458  -5.059  -4.995
  212   1HB   ALA  28          1HB       ALA  28  -0.840  -4.724  -7.147
  213   2HB   ALA  28          2HB       ALA  28  -2.468  -4.284  -7.662
  214   3HB   ALA  28          3HB       ALA  28  -2.045  -5.981  -7.440
  215    H    TRP  29           H        TRP  29  -1.300  -2.649  -6.131
  216    HA   TRP  29           HA       TRP  29  -1.694  -0.491  -5.482
  217   1HB   TRP  29          2HB       TRP  29  -4.476  -1.105  -6.453
  218   2HB   TRP  29          1HB       TRP  29  -3.570   0.396  -6.599
  219    HD1  TRP  29           HD1      TRP  29  -4.686  -2.215  -8.746
  220    HE1  TRP  29          1HE       TRP  29  -3.169  -2.518 -10.803
  221    HE3  TRP  29          3HE       TRP  29  -0.587   0.358  -7.110
  222    HZ2  TRP  29          2HZ       TRP  29  -0.572  -1.763 -11.622
  223    HZ3  TRP  29          3HZ       TRP  29   1.374   0.520  -8.587
  224    HH2  TRP  29           HH2      TRP  29   1.380  -0.521 -10.797
  225    H    THR  30           H        THR  30  -1.517  -1.108  -3.185
  226    HA   THR  30           HA       THR  30  -3.372   0.161  -1.596
  227    HB   THR  30           HB       THR  30  -5.094  -1.330  -1.767
  228    HG1  THR  30          1HG       THR  30  -3.603  -1.722   0.380
  229   1HG2  THR  30          1HG2      THR  30  -5.043  -3.452  -2.550
  230   2HG2  THR  30          2HG2      THR  30  -3.512  -3.829  -1.759
  231   3HG2  THR  30          3HG2      THR  30  -3.528  -2.864  -3.235
  232    H    TYR  31           H        TYR  31  -2.736   0.252   0.555
  233    HA   TYR  31           HA       TYR  31  -0.530  -1.484   1.392
  234   1HB   TYR  31          2HB       TYR  31   0.847   0.340   2.089
  235   2HB   TYR  31          1HB       TYR  31   0.376   0.663   0.423
  236    HD1  TYR  31          1HD       TYR  31   0.477   1.941   3.746
  237    HD2  TYR  31          2HD       TYR  31  -1.627   2.241   0.059
  238    HE1  TYR  31          1HE       TYR  31  -0.389   4.140   4.426
  239    HE2  TYR  31          2HE       TYR  31  -2.497   4.440   0.728
  240    HH   TYR  31           HH       TYR  31  -2.902   5.731   2.731
  241    H    CYS  32           H        CYS  32  -0.355  -1.790   3.615
  242    HA   CYS  32           HA       CYS  32  -2.661  -0.816   5.163
  243   1HB   CYS  32          2HB       CYS  32  -2.132  -3.375   4.711
  244   2HB   CYS  32          1HB       CYS  32  -1.038  -3.151   6.072
  245    H    GLU  33           H        GLU  33  -2.004  -1.134   7.682
  246    HA   GLU  33           HA       GLU  33  -0.032   0.906   8.128
  247   1HB   GLU  33          2HB       GLU  33  -2.172  -0.354   9.630
  248   2HB   GLU  33          1HB       GLU  33  -0.719  -0.181  10.606
  249   1HG   GLU  33          2HG       GLU  33  -0.670   2.231   9.931
  250   2HG   GLU  33          1HG       GLU  33  -2.256   1.986   9.201
  251    H    ASN  34           H        ASN  34   0.204  -2.354   7.628
  252    HA   ASN  34           HA       ASN  34   2.595  -2.592   9.330
  253   1HB   ASN  34          2HB       ASN  34   0.463  -4.256   9.311
  254   2HB   ASN  34          1HB       ASN  34   1.470  -5.028   8.091
  255   1HD2  ASN  34          1HD2      ASN  34   0.919  -4.561  11.392
  256   2HD2  ASN  34          2HD2      ASN  34   2.312  -5.389  11.992
  257    H    ARG  35           H        ARG  35   4.437  -2.351   8.284
  258    HA   ARG  35           HA       ARG  35   4.596  -2.522   5.421
  259   1HB   ARG  35          2HB       ARG  35   6.109  -1.329   7.493
  260   2HB   ARG  35          1HB       ARG  35   7.185  -2.443   6.660
  261   1HG   ARG  35          2HG       ARG  35   5.879  -1.138   4.605
  262   2HG   ARG  35          1HG       ARG  35   6.143   0.123   5.810
  263   1HD   ARG  35          2HD       ARG  35   8.237  -1.703   4.635
  264   2HD   ARG  35          1HD       ARG  35   8.021   0.010   4.273
  265    HE   ARG  35           HE       ARG  35   9.587  -0.970   6.311
  266   1HH1  ARG  35          2HH1      ARG  35   6.899   1.227   6.029
  267   2HH1  ARG  35          1HH1      ARG  35   7.373   2.188   7.389
  268   1HH2  ARG  35          1HH2      ARG  35  10.221   0.289   8.105
  269   2HH2  ARG  35          2HH2      ARG  35   9.263   1.654   8.569
  270    H    ASN  36           H        ASN  36   4.157  -4.923   7.351
  271    HA   ASN  36           HA       ASN  36   5.993  -6.712   5.919
  272   1HB   ASN  36          2HB       ASN  36   6.518  -6.137   8.458
  273   2HB   ASN  36          1HB       ASN  36   5.277  -7.352   8.745
  274   1HD2  ASN  36          1HD2      ASN  36   6.072  -8.710   6.200
  275   2HD2  ASN  36          2HD2      ASN  36   7.499  -9.597   6.605
  276    H    GLN  37           H        GLN  37   2.975  -5.832   6.189
  277    HA   GLN  37           HA       GLN  37   1.883  -8.566   6.151
  278   1HB   GLN  37          2HB       GLN  37   1.139  -6.435   7.758
  279   2HB   GLN  37          1HB       GLN  37  -0.072  -6.431   6.484
  280   1HG   GLN  37          2HG       GLN  37  -0.886  -8.505   7.068
  281   2HG   GLN  37          1HG       GLN  37   0.616  -8.984   7.855
  282   1HE2  GLN  37          1HE2      GLN  37  -2.102  -9.103   8.865
  283   2HE2  GLN  37          2HE2      GLN  37  -2.127  -8.157  10.311
  284    H    LYS  38           H        LYS  38   0.371  -9.099   4.551
  285    HA   LYS  38           HA       LYS  38   0.536  -7.423   2.156
  286   1HB   LYS  38          2HB       LYS  38  -0.759  -9.970   1.752
  287   2HB   LYS  38          1HB       LYS  38   0.707  -9.339   1.015
  288   1HG   LYS  38          2HG       LYS  38   1.952 -10.718   2.212
  289   2HG   LYS  38          1HG       LYS  38   1.252 -10.112   3.713
  290   1HD   LYS  38          2HD       LYS  38   0.101 -11.997   3.976
  291   2HD   LYS  38          1HD       LYS  38  -0.649 -11.794   2.392
  292   1HE   LYS  38          2HE       LYS  38   1.774 -12.657   1.634
  293   2HE   LYS  38          1HE       LYS  38   1.665 -13.444   3.206
  294   1HZ   LYS  38          1HZ       LYS  38  -0.774 -13.790   1.875
  295   2HZ   LYS  38          2HZ       LYS  38   0.356 -14.968   2.312
  296   3HZ   LYS  38          3HZ       LYS  38   0.463 -14.215   0.802
  297    H    CYS  39           H        CYS  39  -1.360  -7.079   0.851
  298    HA   CYS  39           HA       CYS  39  -3.807  -6.952   2.479
  299   1HB   CYS  39          2HB       CYS  39  -2.978  -4.785   1.706
  300   2HB   CYS  39          1HB       CYS  39  -3.032  -5.347   0.040
  301    H    CYS  40           H        CYS  40  -4.960  -8.719   2.101
  302    HA   CYS  40           HA       CYS  40  -5.229  -9.727  -0.622
  303   1HB   CYS  40          2HB       CYS  40  -6.584 -11.423   1.139
  304   2HB   CYS  40          1HB       CYS  40  -4.999 -11.681   0.421
  305    H    GLU  41           H        GLU  41  -7.287 -10.221  -1.499
  306    HA   GLU  41           HA       GLU  41  -9.201  -8.312  -1.469
  307   1HB   GLU  41          2HB       GLU  41  -8.958 -10.865  -2.574
  308   2HB   GLU  41          1HB       GLU  41 -10.474 -10.911  -1.687
  309   1HG   GLU  41          2HG       GLU  41  -9.722  -9.366  -4.091
  310   2HG   GLU  41          1HG       GLU  41 -11.243 -10.153  -3.674
  311    H    TYR  42           HN       TYR  42  -9.414 -11.317   0.445
  312    HA   TYR  42           HA       TYR  42 -11.044  -9.848   2.402
  313   1HB   TYR  42          2HB       TYR  42 -12.669 -11.154   1.339
  314   2HB   TYR  42          1HB       TYR  42 -11.576 -12.519   1.147
  315    HD1  TYR  42          1HD       TYR  42 -13.291 -10.529   3.795
  316    HD2  TYR  42          2HD       TYR  42 -11.719 -14.307   2.625
  317    HE1  TYR  42          1HE       TYR  42 -14.207 -11.537   5.841
  318    HE2  TYR  42          2HE       TYR  42 -12.632 -15.325   4.668
  319    HH   TYR  42           HH       TYR  42 -14.247 -14.965   6.343
  Start of MODEL   18
    1   1H    ILE   1          1H        ILE   1   4.899  16.419  -7.625
    2   2H    ILE   1          2H        ILE   1   4.396  15.528  -6.248
    3   3H    ILE   1          3H        ILE   1   3.550  16.948  -6.712
    4    HA   ILE   1           HA       ILE   1   2.236  15.217  -7.399
    5    HB   ILE   1           HB       ILE   1   3.259  15.282 -10.037
    6   1HG1  ILE   1          2HG1      ILE   1   3.213  18.016  -9.873
    7   2HG1  ILE   1          1HG1      ILE   1   4.069  17.588  -8.397
    8   1HG2  ILE   1          1HG2      ILE   1   1.333  16.742 -10.429
    9   2HG2  ILE   1          2HG2      ILE   1   1.153  16.970  -8.690
   10   3HG2  ILE   1          3HG2      ILE   1   0.910  15.374  -9.400
   11   1HD1  ILE   1          1HD1      ILE   1   5.142  17.831 -10.933
   12   2HD1  ILE   1          2HD1      ILE   1   5.059  16.092 -10.655
   13   3HD1  ILE   1          3HD1      ILE   1   5.921  17.127  -9.517
   14    H    MET   2           H        MET   2   2.477  13.141  -6.800
   15    HA   MET   2           HA       MET   2   4.417  11.519  -8.313
   16   1HB   MET   2          2HB       MET   2   5.300  10.754  -6.413
   17   2HB   MET   2          1HB       MET   2   4.312  11.909  -5.531
   18   1HG   MET   2          2HG       MET   2   2.540   9.890  -5.988
   19   2HG   MET   2          1HG       MET   2   4.054   9.012  -5.780
   20   1HE   MET   2          1HE       MET   2   2.202  11.983  -4.662
   21   2HE   MET   2          2HE       MET   2   3.129  12.422  -3.228
   22   3HE   MET   2          3HE       MET   2   1.617  11.530  -3.060
   23    H    PHE   3           H        PHE   3   3.805   9.234  -8.549
   24    HA   PHE   3           HA       PHE   3   0.878   8.912  -8.677
   25   1HB   PHE   3          2HB       PHE   3   2.572   8.949 -10.817
   26   2HB   PHE   3          1HB       PHE   3   2.501   7.225 -10.464
   27    HD1  PHE   3          1HD       PHE   3   0.125   6.221 -10.168
   28    HD2  PHE   3          2HD       PHE   3   0.933   9.914 -12.122
   29    HE1  PHE   3          1HE       PHE   3  -2.033   6.067 -11.343
   30    HE2  PHE   3          2HE       PHE   3  -1.222   9.768 -13.299
   31    HZ   PHE   3           HZ       PHE   3  -2.708   7.844 -12.910
   32    H    PHE   4           H        PHE   4   3.916   7.053  -8.504
   33    HA   PHE   4           HA       PHE   4   2.967   4.589  -7.807
   34   1HB   PHE   4          2HB       PHE   4   5.426   5.580  -8.025
   35   2HB   PHE   4          1HB       PHE   4   5.312   5.604  -6.269
   36    HD1  PHE   4          1HD       PHE   4   7.387   4.035  -6.926
   37    HD2  PHE   4          2HD       PHE   4   3.275   3.013  -7.324
   38    HE1  PHE   4          1HE       PHE   4   7.978   1.646  -6.859
   39    HE2  PHE   4          2HE       PHE   4   3.858   0.624  -7.257
   40    HZ   PHE   4           HZ       PHE   4   6.211  -0.062  -7.024
   41    H    GLU   5           H        GLU   5   0.987   5.203  -6.626
   42    HA   GLU   5           HA       GLU   5   1.485   5.108  -3.752
   43   1HB   GLU   5          2HB       GLU   5   1.112   7.517  -4.506
   44   2HB   GLU   5          1HB       GLU   5  -0.538   7.038  -4.879
   45   1HG   GLU   5          2HG       GLU   5  -0.661   6.233  -2.459
   46   2HG   GLU   5          1HG       GLU   5   0.817   7.163  -2.211
   47    H    MET   6           H        MET   6   0.708   3.038  -3.620
   48    HA   MET   6           HA       MET   6  -1.528   1.996  -4.910
   49   1HB   MET   6          2HB       MET   6  -0.182   1.270  -2.314
   50   2HB   MET   6          1HB       MET   6  -1.560   0.370  -2.928
   51   1HG   MET   6          2HG       MET   6  -0.054  -0.893  -3.965
   52   2HG   MET   6          1HG       MET   6   0.086   0.448  -5.103
   53   1HE   MET   6          1HE       MET   6   1.849   1.336  -5.786
   54   2HE   MET   6          2HE       MET   6   3.512   1.122  -5.239
   55   3HE   MET   6          3HE       MET   6   2.534   2.441  -4.595
   56    H    GLN   7           H        GLN   7  -3.320   0.989  -3.183
   57    HA   GLN   7           HA       GLN   7  -4.604   3.399  -2.073
   58   1HB   GLN   7          2HB       GLN   7  -5.672   1.015  -3.515
   59   2HB   GLN   7          1HB       GLN   7  -6.695   1.790  -2.314
   60   1HG   GLN   7          2HG       GLN   7  -5.631   2.900  -4.878
   61   2HG   GLN   7          1HG       GLN   7  -7.300   2.799  -4.315
   62   1HE2  GLN   7          1HE2      GLN   7  -8.162   4.535  -3.407
   63   2HE2  GLN   7          2HE2      GLN   7  -7.295   5.933  -2.880
   64    H    ALA   8           H        ALA   8  -4.784   3.492   0.060
   65    HA   ALA   8           HA       ALA   8  -3.836   1.729   1.891
   66   1HB   ALA   8          1HB       ALA   8  -6.210   2.911   2.987
   67   2HB   ALA   8          2HB       ALA   8  -5.360   4.082   1.979
   68   3HB   ALA   8          3HB       ALA   8  -4.520   3.292   3.312
   69    H    CYS   9           H        CYS   9  -4.237  -0.378   2.036
   70    HA   CYS   9           HA       CYS   9  -6.119  -1.976   1.114
   71   1HB   CYS   9          2HB       CYS   9  -4.231  -2.494   2.811
   72   2HB   CYS   9          1HB       CYS   9  -5.471  -2.262   4.037
   73    H    TRP  10           H        TRP  10  -6.677   0.385   3.608
   74    HA   TRP  10           HA       TRP  10  -9.272  -0.631   4.336
   75   1HB   TRP  10          2HB       TRP  10  -9.108   2.015   5.196
   76   2HB   TRP  10          1HB       TRP  10  -8.741   0.586   6.145
   77    HD1  TRP  10           HD1      TRP  10  -6.016  -0.238   5.915
   78    HE1  TRP  10          1HE       TRP  10  -3.940   1.289   5.907
   79    HE3  TRP  10          3HE       TRP  10  -8.267   4.136   4.657
   80    HZ2  TRP  10          2HZ       TRP  10  -3.344   4.017   5.420
   81    HZ3  TRP  10          3HZ       TRP  10  -6.893   6.176   4.433
   82    HH2  TRP  10           HH2      TRP  10  -4.479   6.110   4.808
   83    H    SER  11           H        SER  11  -8.160   2.389   2.796
   84    HA   SER  11           HA       SER  11 -10.590   3.432   2.058
   85   1HB   SER  11          2HB       SER  11  -7.817   3.770   1.219
   86   2HB   SER  11          1HB       SER  11  -8.956   4.067  -0.095
   87    HG   SER  11           HG       SER  11  -8.857   5.980   0.910
   88    H    HIS  12           H        HIS  12  -9.629   0.432   1.253
   89    HA   HIS  12           HA       HIS  12 -11.239   0.440  -1.212
   90   1HB   HIS  12          2HB       HIS  12  -8.533  -0.237  -1.011
   91   2HB   HIS  12          1HB       HIS  12  -9.379  -1.780  -1.092
   92    HD1  HIS  12          1HD       HIS  12 -11.468  -1.448  -3.123
   93    HD2  HIS  12          2HD       HIS  12  -7.775   0.414  -3.511
   94    HE1  HIS  12          1HE       HIS  12 -11.214  -0.964  -5.577
   95    HE2  HIS  12          2HE       HIS  12  -9.010   0.240  -5.776
   96    H    SER  13           H        SER  13 -10.665  -0.874   1.888
   97    HA   SER  13           HA       SER  13 -11.974  -2.256   3.161
   98   1HB   SER  13          2HB       SER  13 -13.852  -1.431   1.619
   99   2HB   SER  13          1HB       SER  13 -13.610  -2.927   0.717
  100    HG   SER  13           HG       SER  13 -15.227  -2.860   2.530
  101    H    GLY  14           H        GLY  14  -9.850  -3.403   2.975
  102   1HA   GLY  14          2HA       GLY  14 -10.281  -6.048   1.732
  103   2HA   GLY  14          1HA       GLY  14  -8.729  -5.230   1.627
  104    H    VAL  15           H        VAL  15  -7.659  -6.933   2.668
  105    HA   VAL  15           HA       VAL  15  -7.997  -6.912   5.578
  106    HB   VAL  15           HB       VAL  15  -7.578  -9.494   4.081
  107   1HG1  VAL  15          1HG1      VAL  15  -8.689  -9.294   6.832
  108   2HG1  VAL  15          2HG1      VAL  15  -6.962  -9.022   6.601
  109   3HG1  VAL  15          3HG1      VAL  15  -7.686 -10.550   6.104
  110   1HG2  VAL  15          1HG2      VAL  15  -9.752  -8.717   3.439
  111   2HG2  VAL  15          2HG2      VAL  15 -10.147  -8.300   5.107
  112   3HG2  VAL  15          3HG2      VAL  15  -9.954  -9.991   4.642
  113    H    CYS  16           H        CYS  16  -6.114  -7.872   6.712
  114    HA   CYS  16           HA       CYS  16  -3.645  -7.890   5.142
  115   1HB   CYS  16          2HB       CYS  16  -4.245  -6.066   7.462
  116   2HB   CYS  16          1HB       CYS  16  -2.593  -6.506   7.042
  117    H    ARG  17           H        ARG  17  -2.728  -9.784   5.555
  118    HA   ARG  17           HA       ARG  17  -2.882 -10.846   8.300
  119   1HB   ARG  17          2HB       ARG  17  -2.228 -12.919   6.471
  120   2HB   ARG  17          1HB       ARG  17  -3.676 -12.748   7.453
  121   1HG   ARG  17          2HG       ARG  17  -3.907 -11.014   5.215
  122   2HG   ARG  17          1HG       ARG  17  -3.426 -12.611   4.641
  123   1HD   ARG  17          2HD       ARG  17  -5.968 -11.961   5.033
  124   2HD   ARG  17          1HD       ARG  17  -5.363 -13.591   5.324
  125    HE   ARG  17           HE       ARG  17  -6.145 -11.630   7.332
  126   1HH1  ARG  17          2HH1      ARG  17  -4.760 -14.739   6.595
  127   2HH1  ARG  17          1HH1      ARG  17  -4.979 -15.361   8.196
  128   1HH2  ARG  17          1HH2      ARG  17  -6.438 -12.440   9.445
  129   2HH2  ARG  17          2HH2      ARG  17  -5.933 -14.054   9.816
  130    H    ASP  18           H        ASP  18  -1.055 -12.790   8.283
  131    HA   ASP  18           HA       ASP  18   1.398 -11.376   8.460
  132   1HB   ASP  18          2HB       ASP  18   1.653 -14.285   8.407
  133   2HB   ASP  18          1HB       ASP  18   2.063 -13.143   9.685
  134    H    LYS  19           H        LYS  19   2.957 -11.097   7.011
  135    HA   LYS  19           HA       LYS  19   2.692 -11.543   4.318
  136   1HB   LYS  19          2HB       LYS  19   5.003 -11.003   4.089
  137   2HB   LYS  19          1HB       LYS  19   4.392 -10.075   5.451
  138   1HG   LYS  19          2HG       LYS  19   6.206 -12.454   5.458
  139   2HG   LYS  19          1HG       LYS  19   6.448 -10.864   6.186
  140   1HD   LYS  19          2HD       LYS  19   5.265 -11.391   8.046
  141   2HD   LYS  19          1HD       LYS  19   4.125 -12.407   7.161
  142   1HE   LYS  19          2HE       LYS  19   5.583 -13.649   8.761
  143   2HE   LYS  19          1HE       LYS  19   5.681 -14.218   7.096
  144   1HZ   LYS  19          1HZ       LYS  19   7.835 -13.745   7.021
  145   2HZ   LYS  19          2HZ       LYS  19   7.782 -13.493   8.692
  146   3HZ   LYS  19          3HZ       LYS  19   7.607 -12.186   7.635
  147    H    SER  20           H        SER  20   2.915 -13.920   6.569
  148    HA   SER  20           HA       SER  20   4.167 -15.809   4.685
  149   1HB   SER  20          2HB       SER  20   4.815 -15.314   7.354
  150   2HB   SER  20          1HB       SER  20   3.896 -16.819   7.395
  151    HG   SER  20           HG       SER  20   6.316 -16.825   6.965
  152    H    GLU  21           H        GLU  21   1.298 -14.831   5.059
  153    HA   GLU  21           HA       GLU  21  -0.095 -17.219   5.874
  154   1HB   GLU  21          2HB       GLU  21  -0.743 -14.557   5.905
  155   2HB   GLU  21          1HB       GLU  21  -1.647 -15.137   4.516
  156   1HG   GLU  21          2HG       GLU  21  -1.991 -16.987   6.638
  157   2HG   GLU  21          1HG       GLU  21  -2.282 -15.364   7.260
  158    H    ARG  22           H        ARG  22  -1.544 -18.329   4.544
  159    HA   ARG  22           HA       ARG  22  -0.657 -18.525   1.772
  160   1HB   ARG  22          2HB       ARG  22  -1.720 -20.390   3.794
  161   2HB   ARG  22          1HB       ARG  22  -2.282 -20.656   2.155
  162   1HG   ARG  22          2HG       ARG  22   0.579 -20.217   2.287
  163   2HG   ARG  22          1HG       ARG  22   0.054 -21.596   3.256
  164   1HD   ARG  22          2HD       ARG  22  -0.773 -22.736   1.421
  165   2HD   ARG  22          1HD       ARG  22  -0.962 -21.268   0.465
  166    HE   ARG  22           HE       ARG  22   1.390 -22.903   0.682
  167   1HH1  ARG  22          2HH1      ARG  22   0.180 -19.714  -0.016
  168   2HH1  ARG  22          1HH1      ARG  22   1.546 -19.265  -0.984
  169   1HH2  ARG  22          1HH2      ARG  22   3.193 -22.325  -0.588
  170   2HH2  ARG  22          2HH2      ARG  22   3.260 -20.751  -1.309
  171    H    ASN  23           H        ASN  23  -3.233 -17.393   3.653
  172    HA   ASN  23           HA       ASN  23  -5.034 -17.404   1.323
  173   1HB   ASN  23          2HB       ASN  23  -5.673 -18.547   3.608
  174   2HB   ASN  23          1HB       ASN  23  -6.028 -16.894   4.101
  175   1HD2  ASN  23          1HD2      ASN  23  -6.599 -19.042   1.332
  176   2HD2  ASN  23          2HD2      ASN  23  -8.251 -18.589   1.107
  177    H    CYS  24           H        CYS  24  -3.642 -15.504   0.713
  178    HA   CYS  24           HA       CYS  24  -4.944 -13.075   1.673
  179   1HB   CYS  24          2HB       CYS  24  -2.590 -13.644   2.792
  180   2HB   CYS  24          1HB       CYS  24  -1.992 -12.908   1.309
  181    H    LYS  25           H        LYS  25  -5.974 -13.122  -0.379
  182    HA   LYS  25           HA       LYS  25  -4.724 -13.300  -2.855
  183   1HB   LYS  25          2HB       LYS  25  -6.730 -11.606  -3.442
  184   2HB   LYS  25          1HB       LYS  25  -6.974 -13.327  -3.172
  185   1HG   LYS  25          2HG       LYS  25  -7.087 -12.140  -0.640
  186   2HG   LYS  25          1HG       LYS  25  -8.014 -11.089  -1.714
  187   1HD   LYS  25          2HD       LYS  25  -9.709 -12.522  -1.608
  188   2HD   LYS  25          1HD       LYS  25  -8.693 -13.747  -2.376
  189   1HE   LYS  25          2HE       LYS  25  -9.532 -13.474   0.413
  190   2HE   LYS  25          1HE       LYS  25  -9.025 -14.903  -0.483
  191   1HZ   LYS  25          1HZ       LYS  25  -7.167 -12.851   0.589
  192   2HZ   LYS  25          2HZ       LYS  25  -6.740 -14.311  -0.150
  193   3HZ   LYS  25          3HZ       LYS  25  -7.517 -14.321   1.353
  194    HA   PRO  26           HA       PRO  26  -2.022  -9.708  -2.453
  195   1HB   PRO  26          2HB       PRO  26  -1.302  -9.931  -5.162
  196   2HB   PRO  26          1HB       PRO  26  -0.428 -10.603  -3.784
  197   1HG   PRO  26          2HG       PRO  26  -2.352 -11.920  -5.635
  198   2HG   PRO  26          1HG       PRO  26  -0.917 -12.590  -4.838
  199   1HD   PRO  26          2HD       PRO  26  -3.384 -13.181  -3.984
  200   2HD   PRO  26          1HD       PRO  26  -2.045 -12.951  -2.839
  201    H    MET  27           H        MET  27  -3.206  -7.888  -2.334
  202    HA   MET  27           HA       MET  27  -4.818  -7.073  -4.641
  203   1HB   MET  27          2HB       MET  27  -5.029  -6.724  -1.765
  204   2HB   MET  27          1HB       MET  27  -5.159  -5.188  -2.610
  205   1HG   MET  27          2HG       MET  27  -6.763  -6.948  -4.055
  206   2HG   MET  27          1HG       MET  27  -7.078  -7.315  -2.361
  207   1HE   MET  27          1HE       MET  27  -9.072  -6.418  -1.422
  208   2HE   MET  27          2HE       MET  27  -9.705  -6.498  -3.066
  209   3HE   MET  27          3HE       MET  27  -9.997  -5.068  -2.078
  210    H    ALA  28           H        ALA  28  -3.879  -5.787  -6.074
  211    HA   ALA  28           HA       ALA  28  -1.464  -4.361  -5.497
  212   1HB   ALA  28          1HB       ALA  28  -3.091  -4.942  -7.867
  213   2HB   ALA  28          2HB       ALA  28  -1.339  -4.897  -7.673
  214   3HB   ALA  28          3HB       ALA  28  -2.238  -3.399  -7.911
  215    H    TRP  29           H        TRP  29  -1.979  -2.057  -7.135
  216    HA   TRP  29           HA       TRP  29  -2.186   0.153  -6.362
  217   1HB   TRP  29          2HB       TRP  29  -4.995  -0.777  -6.976
  218   2HB   TRP  29          1HB       TRP  29  -4.405   0.878  -7.056
  219    HD1  TRP  29           HD1      TRP  29  -5.120  -1.885  -9.275
  220    HE1  TRP  29          1HE       TRP  29  -3.849  -1.666 -11.505
  221    HE3  TRP  29          3HE       TRP  29  -1.723   1.678  -7.917
  222    HZ2  TRP  29          2HZ       TRP  29  -1.684  -0.175 -12.547
  223    HZ3  TRP  29          3HZ       TRP  29  -0.084   2.448  -9.585
  224    HH2  TRP  29           HH2      TRP  29  -0.066   1.538 -11.852
  225    H    THR  30           H        THR  30  -2.022  -1.411  -4.046
  226    HA   THR  30           HA       THR  30  -3.337   0.297  -2.181
  227    HB   THR  30           HB       THR  30  -4.756  -1.306  -1.080
  228    HG1  THR  30          1HG       THR  30  -3.233  -3.046  -2.369
  229   1HG2  THR  30          1HG2      THR  30  -6.469  -1.721  -2.675
  230   2HG2  THR  30          2HG2      THR  30  -5.326  -1.613  -4.015
  231   3HG2  THR  30          3HG2      THR  30  -5.725  -0.174  -3.078
  232    H    TYR  31           H        TYR  31  -2.867  -0.402   0.100
  233    HA   TYR  31           HA       TYR  31  -0.553  -2.180   0.321
  234   1HB   TYR  31          2HB       TYR  31   0.621  -0.494   1.740
  235   2HB   TYR  31          1HB       TYR  31   0.456  -0.006   0.057
  236    HD1  TYR  31          1HD       TYR  31   0.026   2.232  -0.229
  237    HD2  TYR  31          2HD       TYR  31  -1.625   0.258   3.159
  238    HE1  TYR  31          1HE       TYR  31  -1.019   4.341   0.484
  239    HE2  TYR  31          2HE       TYR  31  -2.676   2.361   3.880
  240    HH   TYR  31           HH       TYR  31  -1.878   5.381   2.499
  241    H    CYS  32           H        CYS  32   0.066  -2.365   2.752
  242    HA   CYS  32           HA       CYS  32  -2.440  -2.786   4.225
  243   1HB   CYS  32          2HB       CYS  32   0.103  -4.253   4.027
  244   2HB   CYS  32          1HB       CYS  32  -0.530  -4.112   5.662
  245    H    GLU  33           H        GLU  33  -1.789  -2.876   6.767
  246    HA   GLU  33           HA       GLU  33  -1.061  -0.134   7.373
  247   1HB   GLU  33          2HB       GLU  33  -1.925  -2.313   9.279
  248   2HB   GLU  33          1HB       GLU  33  -1.892  -0.583   9.595
  249   1HG   GLU  33          2HG       GLU  33  -3.488  -1.087   7.282
  250   2HG   GLU  33          1HG       GLU  33  -4.015  -2.134   8.600
  251    H    ASN  34           H        ASN  34   0.234  -3.354   7.757
  252    HA   ASN  34           HA       ASN  34   2.521  -2.259   9.248
  253   1HB   ASN  34          2HB       ASN  34   1.143  -4.247  10.145
  254   2HB   ASN  34          1HB       ASN  34   1.943  -5.191   8.891
  255   1HD2  ASN  34          1HD2      ASN  34   3.750  -2.602  10.154
  256   2HD2  ASN  34          2HD2      ASN  34   4.784  -3.520  11.188
  257    H    ARG  35           H        ARG  35   4.459  -2.131   8.313
  258    HA   ARG  35           HA       ARG  35   4.818  -2.582   5.565
  259   1HB   ARG  35          2HB       ARG  35   6.227  -1.305   7.584
  260   2HB   ARG  35          1HB       ARG  35   7.303  -2.604   7.087
  261   1HG   ARG  35          2HG       ARG  35   6.243  -1.361   4.756
  262   2HG   ARG  35          1HG       ARG  35   6.864  -0.113   5.838
  263   1HD   ARG  35          2HD       ARG  35   8.399  -2.570   5.004
  264   2HD   ARG  35          1HD       ARG  35   8.552  -0.992   4.233
  265    HE   ARG  35           HE       ARG  35   9.020  -0.480   6.860
  266   1HH1  ARG  35          2HH1      ARG  35  10.358  -2.710   4.545
  267   2HH1  ARG  35          1HH1      ARG  35  11.926  -2.734   5.281
  268   1HH2  ARG  35          1HH2      ARG  35  11.081  -0.503   7.836
  269   2HH2  ARG  35          2HH2      ARG  35  12.338  -1.479   7.153
  270    H    ASN  36           H        ASN  36   4.291  -4.880   7.703
  271    HA   ASN  36           HA       ASN  36   6.021  -6.813   6.317
  272   1HB   ASN  36          2HB       ASN  36   6.591  -6.173   8.821
  273   2HB   ASN  36          1HB       ASN  36   5.272  -7.287   9.173
  274   1HD2  ASN  36          1HD2      ASN  36   6.669  -8.186   6.317
  275   2HD2  ASN  36          2HD2      ASN  36   7.759  -9.391   6.904
  276    H    GLN  37           H        GLN  37   2.984  -5.788   6.840
  277    HA   GLN  37           HA       GLN  37   1.796  -8.474   6.847
  278   1HB   GLN  37          2HB       GLN  37   1.126  -6.250   8.309
  279   2HB   GLN  37          1HB       GLN  37  -0.019  -6.171   6.978
  280   1HG   GLN  37          2HG       GLN  37  -0.656  -8.527   7.488
  281   2HG   GLN  37          1HG       GLN  37   0.369  -8.432   8.920
  282   1HE2  GLN  37          1HE2      GLN  37  -2.072  -9.048   9.498
  283   2HE2  GLN  37          2HE2      GLN  37  -2.984  -7.712  10.106
  284    H    LYS  38           H        LYS  38   0.301  -9.080   5.259
  285    HA   LYS  38           HA       LYS  38   0.578  -7.596   2.748
  286   1HB   LYS  38          2HB       LYS  38  -0.769 -10.219   2.727
  287   2HB   LYS  38          1HB       LYS  38   0.463  -9.574   1.651
  288   1HG   LYS  38          2HG       LYS  38   2.087  -9.936   3.592
  289   2HG   LYS  38          1HG       LYS  38   0.812 -10.931   4.300
  290   1HD   LYS  38          2HD       LYS  38   1.902 -11.349   1.522
  291   2HD   LYS  38          1HD       LYS  38   2.524 -12.182   2.948
  292   1HE   LYS  38          2HE       LYS  38   0.092 -12.892   3.348
  293   2HE   LYS  38          1HE       LYS  38  -0.188 -12.391   1.681
  294   1HZ   LYS  38          1HZ       LYS  38   0.305 -14.769   1.884
  295   2HZ   LYS  38          2HZ       LYS  38   1.825 -14.402   2.531
  296   3HZ   LYS  38          3HZ       LYS  38   1.456 -13.966   0.940
  297    H    CYS  39           H        CYS  39  -1.235  -7.198   1.407
  298    HA   CYS  39           HA       CYS  39  -3.776  -7.032   2.885
  299   1HB   CYS  39          2HB       CYS  39  -2.986  -4.832   2.412
  300   2HB   CYS  39          1HB       CYS  39  -2.621  -5.258   0.746
  301    H    CYS  40           H        CYS  40  -4.930  -8.739   2.277
  302    HA   CYS  40           HA       CYS  40  -5.031  -9.488  -0.546
  303   1HB   CYS  40          2HB       CYS  40  -6.481 -11.373   0.821
  304   2HB   CYS  40          1HB       CYS  40  -4.777 -11.508   0.400
  305    H    GLU  41           H        GLU  41  -7.008  -9.752  -1.624
  306    HA   GLU  41           HA       GLU  41  -8.881  -7.867  -1.574
  307   1HB   GLU  41          2HB       GLU  41  -9.663  -9.179  -3.202
  308   2HB   GLU  41          1HB       GLU  41  -8.778 -10.556  -2.559
  309   1HG   GLU  41          2HG       GLU  41 -10.585 -11.335  -1.365
  310   2HG   GLU  41          1HG       GLU  41 -11.362  -9.753  -1.308
  311    H    TYR  42           HN       TYR  42  -9.592 -10.960   0.061
  312    HA   TYR  42           HA       TYR  42 -10.862  -9.456   2.235
  313   1HB   TYR  42          2HB       TYR  42 -12.657 -10.102   0.705
  314   2HB   TYR  42          1HB       TYR  42 -12.124 -11.778   0.777
  315    HD1  TYR  42          1HD       TYR  42 -12.506  -9.319   3.545
  316    HD2  TYR  42          2HD       TYR  42 -13.907 -12.917   1.760
  317    HE1  TYR  42          1HE       TYR  42 -13.978  -9.699   5.477
  318    HE2  TYR  42          2HE       TYR  42 -15.385 -13.306   3.686
  319    HH   TYR  42           HH       TYR  42 -15.203 -12.398   6.356
  Start of MODEL   19
    1   1H    ILE   1          1H        ILE   1   5.089  13.223  -5.299
    2   2H    ILE   1          2H        ILE   1   6.025  11.825  -4.960
    3   3H    ILE   1          3H        ILE   1   6.729  13.385  -4.828
    4    HA   ILE   1           HA       ILE   1   6.218  13.402  -2.744
    5    HB   ILE   1           HB       ILE   1   3.598  13.276  -2.287
    6   1HG1  ILE   1          2HG1      ILE   1   2.221  13.644  -4.112
    7   2HG1  ILE   1          1HG1      ILE   1   3.530  14.284  -5.102
    8   1HG2  ILE   1          1HG2      ILE   1   5.202  15.486  -3.525
    9   2HG2  ILE   1          2HG2      ILE   1   4.732  15.264  -1.839
   10   3HG2  ILE   1          3HG2      ILE   1   3.524  15.727  -3.037
   11   1HD1  ILE   1          1HD1      ILE   1   2.538  11.988  -5.682
   12   2HD1  ILE   1          2HD1      ILE   1   3.481  11.403  -4.311
   13   3HD1  ILE   1          3HD1      ILE   1   4.292  12.173  -5.674
   14    H    MET   2           H        MET   2   7.198  11.093  -2.989
   15    HA   MET   2           HA       MET   2   7.321   9.024  -2.039
   16   1HB   MET   2          2HB       MET   2   5.119  10.301  -0.605
   17   2HB   MET   2          1HB       MET   2   4.955   8.552  -0.687
   18   1HG   MET   2          2HG       MET   2   7.354   8.447   0.144
   19   2HG   MET   2          1HG       MET   2   7.181  10.162   0.516
   20   1HE   MET   2          1HE       MET   2   5.520   6.471   1.667
   21   2HE   MET   2          2HE       MET   2   6.410   6.820   3.150
   22   3HE   MET   2          3HE       MET   2   7.230   6.896   1.589
   23    H    PHE   3           H        PHE   3   6.867   6.989  -2.747
   24    HA   PHE   3           HA       PHE   3   4.584   6.731  -4.591
   25   1HB   PHE   3          2HB       PHE   3   7.148   5.130  -4.653
   26   2HB   PHE   3          1HB       PHE   3   5.873   5.146  -5.867
   27    HD1  PHE   3          1HD       PHE   3   8.422   5.540  -6.924
   28    HD2  PHE   3          2HD       PHE   3   5.954   8.401  -4.968
   29    HE1  PHE   3          1HE       PHE   3   9.585   7.351  -8.115
   30    HE2  PHE   3          2HE       PHE   3   7.113  10.218  -6.155
   31    HZ   PHE   3           HZ       PHE   3   8.930   9.695  -7.732
   32    H    PHE   4           H        PHE   4   5.944   5.647  -1.690
   33    HA   PHE   4           HA       PHE   4   4.763   3.014  -1.724
   34   1HB   PHE   4          2HB       PHE   4   6.487   4.570   0.098
   35   2HB   PHE   4          1HB       PHE   4   5.384   3.450   0.889
   36    HD1  PHE   4          1HD       PHE   4   6.351   2.448  -2.401
   37    HD2  PHE   4          2HD       PHE   4   7.537   2.382   1.686
   38    HE1  PHE   4          1HE       PHE   4   7.891   0.591  -2.882
   39    HE2  PHE   4          2HE       PHE   4   9.081   0.525   1.211
   40    HZ   PHE   4           HZ       PHE   4   9.260  -0.372  -1.075
   41    H    GLU   5           H        GLU   5   3.294   5.783  -1.789
   42    HA   GLU   5           HA       GLU   5   1.392   5.223   0.385
   43   1HB   GLU   5          2HB       GLU   5   0.638   7.531   0.123
   44   2HB   GLU   5          1HB       GLU   5   2.371   7.474   0.408
   45   1HG   GLU   5          2HG       GLU   5   2.774   7.780  -1.984
   46   2HG   GLU   5          1HG       GLU   5   1.035   7.847  -2.263
   47    H    MET   6           H        MET   6   0.559   3.456  -0.991
   48    HA   MET   6           HA       MET   6  -0.829   4.156  -3.415
   49   1HB   MET   6          2HB       MET   6  -0.345   1.674  -1.858
   50   2HB   MET   6          1HB       MET   6  -1.774   1.705  -2.879
   51   1HG   MET   6          2HG       MET   6   0.873   2.507  -3.998
   52   2HG   MET   6          1HG       MET   6   0.470   0.802  -3.810
   53   1HE   MET   6          1HE       MET   6  -2.747   3.237  -5.057
   54   2HE   MET   6          2HE       MET   6  -1.663   3.948  -6.254
   55   3HE   MET   6          3HE       MET   6  -1.240   3.997  -4.542
   56    H    GLN   7           H        GLN   7  -2.715   1.977  -1.749
   57    HA   GLN   7           HA       GLN   7  -4.522   4.057  -0.724
   58   1HB   GLN   7          2HB       GLN   7  -5.044   2.026  -2.818
   59   2HB   GLN   7          1HB       GLN   7  -6.317   2.261  -1.627
   60   1HG   GLN   7          2HG       GLN   7  -5.087   4.517  -3.182
   61   2HG   GLN   7          1HG       GLN   7  -6.509   3.627  -3.722
   62   1HE2  GLN   7          1HE2      GLN   7  -7.948   3.290  -1.483
   63   2HE2  GLN   7          2HE2      GLN   7  -8.418   4.815  -0.819
   64    H    ALA   8           H        ALA   8  -4.879   3.703   1.353
   65    HA   ALA   8           HA       ALA   8  -4.067   1.708   2.949
   66   1HB   ALA   8          1HB       ALA   8  -6.046   3.761   3.143
   67   2HB   ALA   8          2HB       ALA   8  -5.094   3.011   4.422
   68   3HB   ALA   8          3HB       ALA   8  -6.635   2.302   3.940
   69    H    CYS   9           H        CYS   9  -4.250  -0.425   2.819
   70    HA   CYS   9           HA       CYS   9  -5.711  -2.007   1.257
   71   1HB   CYS   9          2HB       CYS   9  -4.086  -2.749   3.038
   72   2HB   CYS   9          1HB       CYS   9  -5.404  -2.638   4.196
   73    H    TRP  10           H        TRP  10  -6.934  -0.319   4.063
   74    HA   TRP  10           HA       TRP  10  -9.467  -1.629   4.138
   75   1HB   TRP  10          2HB       TRP  10  -9.778   0.889   5.302
   76   2HB   TRP  10          1HB       TRP  10  -9.399  -0.609   6.136
   77    HD1  TRP  10           HD1      TRP  10  -6.608  -1.109   6.347
   78    HE1  TRP  10          1HE       TRP  10  -4.752   0.607   6.852
   79    HE3  TRP  10          3HE       TRP  10  -9.109   3.122   5.092
   80    HZ2  TRP  10          2HZ       TRP  10  -4.410   3.419   6.723
   81    HZ3  TRP  10          3HZ       TRP  10  -7.969   5.302   5.299
   82    HH2  TRP  10           HH2      TRP  10  -5.663   5.443   6.102
   83    H    SER  11           H        SER  11  -8.362   1.524   2.926
   84    HA   SER  11           HA       SER  11 -10.826   2.422   1.956
   85   1HB   SER  11          2HB       SER  11  -8.036   3.212   1.736
   86   2HB   SER  11          1HB       SER  11  -8.919   3.506   0.238
   87    HG   SER  11           HG       SER  11  -9.037   5.269   1.718
   88    H    HIS  12           H        HIS  12  -9.291  -0.299   1.053
   89    HA   HIS  12           HA       HIS  12 -10.382  -0.178  -1.682
   90   1HB   HIS  12          2HB       HIS  12  -7.767  -0.369  -1.250
   91   2HB   HIS  12          1HB       HIS  12  -8.166  -2.071  -1.039
   92    HD1  HIS  12          1HD       HIS  12  -9.089  -3.335  -3.140
   93    HD2  HIS  12          2HD       HIS  12  -7.833   0.561  -3.859
   94    HE1  HIS  12          1HE       HIS  12  -8.905  -3.139  -5.639
   95    HE2  HIS  12          2HE       HIS  12  -8.056  -0.802  -6.046
   96    H    SER  13           H        SER  13 -11.436  -1.130   1.002
   97    HA   SER  13           HA       SER  13 -12.588  -2.893   1.886
   98   1HB   SER  13          2HB       SER  13 -13.161  -3.769  -0.933
   99   2HB   SER  13          1HB       SER  13 -14.229  -3.779   0.471
  100    HG   SER  13           HG       SER  13 -14.696  -2.082  -1.026
  101    H    GLY  14           H        GLY  14  -9.963  -3.490   1.920
  102   1HA   GLY  14          2HA       GLY  14  -9.914  -6.329   1.105
  103   2HA   GLY  14          1HA       GLY  14  -8.495  -5.298   0.996
  104    H    VAL  15           H        VAL  15  -7.495  -6.978   2.325
  105    HA   VAL  15           HA       VAL  15  -7.894  -6.384   5.165
  106    HB   VAL  15           HB       VAL  15  -7.439  -9.223   4.285
  107   1HG1  VAL  15          1HG1      VAL  15  -8.709  -9.433   6.595
  108   2HG1  VAL  15          2HG1      VAL  15  -8.062  -7.808   6.820
  109   3HG1  VAL  15          3HG1      VAL  15  -6.968  -9.156   6.516
  110   1HG2  VAL  15          1HG2      VAL  15  -9.946  -7.675   4.244
  111   2HG2  VAL  15          2HG2      VAL  15 -10.030  -9.251   5.031
  112   3HG2  VAL  15          3HG2      VAL  15  -9.493  -9.130   3.356
  113    H    CYS  16           H        CYS  16  -6.061  -7.264   6.507
  114    HA   CYS  16           HA       CYS  16  -3.552  -7.425   4.990
  115   1HB   CYS  16          2HB       CYS  16  -4.209  -5.545   7.245
  116   2HB   CYS  16          1HB       CYS  16  -2.550  -6.027   6.919
  117    H    ARG  17           H        ARG  17  -2.669  -9.318   5.454
  118    HA   ARG  17           HA       ARG  17  -2.729 -10.246   8.247
  119   1HB   ARG  17          2HB       ARG  17  -2.516 -12.415   6.328
  120   2HB   ARG  17          1HB       ARG  17  -3.622 -12.221   7.681
  121   1HG   ARG  17          2HG       ARG  17  -4.268 -10.502   5.423
  122   2HG   ARG  17          1HG       ARG  17  -4.310 -12.222   5.031
  123   1HD   ARG  17          2HD       ARG  17  -6.149 -10.636   6.605
  124   2HD   ARG  17          1HD       ARG  17  -6.354 -12.245   5.917
  125    HE   ARG  17           HE       ARG  17  -5.231 -13.110   7.920
  126   1HH1  ARG  17          2HH1      ARG  17  -6.558  -9.893   8.019
  127   2HH1  ARG  17          1HH1      ARG  17  -6.722  -9.873   9.744
  128   1HH2  ARG  17          1HH2      ARG  17  -5.443 -13.097  10.190
  129   2HH2  ARG  17          2HH2      ARG  17  -6.088 -11.695  10.978
  130    H    ASP  18           H        ASP  18  -1.048 -12.166   8.436
  131    HA   ASP  18           HA       ASP  18   1.472 -11.158   8.377
  132   1HB   ASP  18          2HB       ASP  18   0.292 -13.738   8.793
  133   2HB   ASP  18          1HB       ASP  18   1.760 -13.929   7.839
  134    H    LYS  19           H        LYS  19   3.162 -11.071   6.985
  135    HA   LYS  19           HA       LYS  19   2.699 -10.783   4.266
  136   1HB   LYS  19          2HB       LYS  19   4.795 -10.004   4.286
  137   2HB   LYS  19          1HB       LYS  19   4.867 -10.435   5.990
  138   1HG   LYS  19          2HG       LYS  19   6.665 -11.608   5.326
  139   2HG   LYS  19          1HG       LYS  19   5.451 -12.816   4.896
  140   1HD   LYS  19          2HD       LYS  19   5.383 -11.734   2.606
  141   2HD   LYS  19          1HD       LYS  19   6.820 -10.834   3.091
  142   1HE   LYS  19          2HE       LYS  19   6.586 -13.548   2.157
  143   2HE   LYS  19          1HE       LYS  19   8.031 -12.562   2.390
  144   1HZ   LYS  19          1HZ       LYS  19   8.442 -14.161   3.914
  145   2HZ   LYS  19          2HZ       LYS  19   6.811 -14.523   4.170
  146   3HZ   LYS  19          3HZ       LYS  19   7.499 -13.163   4.900
  147    H    SER  20           H        SER  20   2.848 -13.624   6.041
  148    HA   SER  20           HA       SER  20   3.315 -15.202   3.595
  149   1HB   SER  20          2HB       SER  20   4.833 -15.295   5.914
  150   2HB   SER  20          1HB       SER  20   3.735 -16.662   6.091
  151    HG   SER  20           HG       SER  20   5.871 -16.823   4.825
  152    H    GLU  21           H        GLU  21   0.873 -14.084   5.091
  153    HA   GLU  21           HA       GLU  21  -0.652 -15.937   6.328
  154   1HB   GLU  21          2HB       GLU  21  -1.176 -13.498   5.633
  155   2HB   GLU  21          1HB       GLU  21  -1.868 -14.221   4.191
  156   1HG   GLU  21          2HG       GLU  21  -2.873 -15.640   6.408
  157   2HG   GLU  21          1HG       GLU  21  -3.006 -13.922   6.778
  158    H    ARG  22           H        ARG  22  -2.071 -17.487   5.763
  159    HA   ARG  22           HA       ARG  22  -1.432 -18.982   3.387
  160   1HB   ARG  22          2HB       ARG  22  -2.686 -19.486   5.966
  161   2HB   ARG  22          1HB       ARG  22  -3.524 -20.279   4.644
  162   1HG   ARG  22          2HG       ARG  22  -0.612 -20.556   4.582
  163   2HG   ARG  22          1HG       ARG  22  -1.403 -21.302   5.972
  164   1HD   ARG  22          2HD       ARG  22  -3.047 -22.162   4.059
  165   2HD   ARG  22          1HD       ARG  22  -1.590 -21.964   3.085
  166    HE   ARG  22           HE       ARG  22  -0.834 -23.377   5.335
  167   1HH1  ARG  22          2HH1      ARG  22  -3.046 -23.795   2.679
  168   2HH1  ARG  22          1HH1      ARG  22  -2.927 -25.523   2.680
  169   1HH2  ARG  22          1HH2      ARG  22  -0.667 -25.654   5.347
  170   2HH2  ARG  22          2HH2      ARG  22  -1.573 -26.580   4.198
  171    H    ASN  23           H        ASN  23  -3.802 -16.723   4.328
  172    HA   ASN  23           HA       ASN  23  -5.349 -17.348   1.905
  173   1HB   ASN  23          2HB       ASN  23  -6.572 -18.093   3.939
  174   2HB   ASN  23          1HB       ASN  23  -6.541 -16.435   4.529
  175   1HD2  ASN  23          1HD2      ASN  23  -8.236 -18.696   2.747
  176   2HD2  ASN  23          2HD2      ASN  23  -9.378 -17.636   2.002
  177    H    CYS  24           H        CYS  24  -3.356 -15.542   1.757
  178    HA   CYS  24           HA       CYS  24  -4.707 -12.931   1.927
  179   1HB   CYS  24          2HB       CYS  24  -2.378 -13.494   3.088
  180   2HB   CYS  24          1HB       CYS  24  -1.765 -13.102   1.485
  181    H    LYS  25           H        LYS  25  -5.743 -12.816   0.000
  182    HA   LYS  25           HA       LYS  25  -4.559 -13.634  -2.468
  183   1HB   LYS  25          2HB       LYS  25  -6.694 -11.798  -2.914
  184   2HB   LYS  25          1HB       LYS  25  -6.688 -13.543  -3.130
  185   1HG   LYS  25          2HG       LYS  25  -7.078 -13.597  -0.563
  186   2HG   LYS  25          1HG       LYS  25  -7.605 -11.928  -0.793
  187   1HD   LYS  25          2HD       LYS  25  -9.240 -12.679  -2.457
  188   2HD   LYS  25          1HD       LYS  25  -8.713 -14.348  -2.220
  189   1HE   LYS  25          2HE       LYS  25 -10.206 -12.553  -0.344
  190   2HE   LYS  25          1HE       LYS  25 -10.620 -14.176  -0.892
  191   1HZ   LYS  25          1HZ       LYS  25  -8.310 -14.637   0.350
  192   2HZ   LYS  25          2HZ       LYS  25  -9.816 -14.740   1.114
  193   3HZ   LYS  25          3HZ       LYS  25  -8.882 -13.338   1.273
  194    HA   PRO  26           HA       PRO  26  -1.883 -10.054  -2.861
  195   1HB   PRO  26          2HB       PRO  26  -1.507 -10.579  -5.601
  196   2HB   PRO  26          1HB       PRO  26  -0.467 -11.107  -4.276
  197   1HG   PRO  26          2HG       PRO  26  -2.598 -12.595  -5.724
  198   2HG   PRO  26          1HG       PRO  26  -1.080 -13.191  -5.029
  199   1HD   PRO  26          2HD       PRO  26  -3.433 -13.647  -3.835
  200   2HD   PRO  26          1HD       PRO  26  -1.968 -13.320  -2.887
  201    H    MET  27           H        MET  27  -3.312  -8.355  -2.672
  202    HA   MET  27           HA       MET  27  -4.982  -7.693  -4.988
  203   1HB   MET  27          2HB       MET  27  -5.324  -7.445  -2.168
  204   2HB   MET  27          1HB       MET  27  -5.329  -5.829  -2.862
  205   1HG   MET  27          2HG       MET  27  -7.413  -7.733  -2.813
  206   2HG   MET  27          1HG       MET  27  -7.419  -6.109  -3.502
  207   1HE   MET  27          1HE       MET  27  -9.348  -7.551  -5.780
  208   2HE   MET  27          2HE       MET  27  -8.299  -6.566  -6.801
  209   3HE   MET  27          3HE       MET  27  -8.687  -6.036  -5.163
  210    H    ALA  28           H        ALA  28  -4.602  -5.961  -6.253
  211    HA   ALA  28           HA       ALA  28  -2.097  -4.547  -5.874
  212   1HB   ALA  28          1HB       ALA  28  -3.939  -3.972  -8.144
  213   2HB   ALA  28          2HB       ALA  28  -3.107  -5.527  -8.086
  214   3HB   ALA  28          3HB       ALA  28  -2.177  -4.029  -8.108
  215    H    TRP  29           H        TRP  29  -2.324  -2.128  -6.793
  216    HA   TRP  29           HA       TRP  29  -2.703  -0.036  -5.957
  217   1HB   TRP  29          2HB       TRP  29  -5.570  -0.796  -6.486
  218   2HB   TRP  29          1HB       TRP  29  -4.816   0.784  -6.642
  219    HD1  TRP  29           HD1      TRP  29  -6.126  -1.669  -8.823
  220    HE1  TRP  29          1HE       TRP  29  -4.947  -1.708 -11.112
  221    HE3  TRP  29          3HE       TRP  29  -1.911   0.948  -7.606
  222    HZ2  TRP  29          2HZ       TRP  29  -2.545  -0.756 -12.250
  223    HZ3  TRP  29          3HZ       TRP  29  -0.219   1.341  -9.350
  224    HH2  TRP  29           HH2      TRP  29  -0.531   0.506 -11.625
  225    H    THR  30           H        THR  30  -2.090  -0.724  -3.764
  226    HA   THR  30           HA       THR  30  -3.545   0.401  -1.787
  227    HB   THR  30           HB       THR  30  -5.431  -0.920  -1.891
  228    HG1  THR  30          1HG       THR  30  -4.341  -1.125   0.198
  229   1HG2  THR  30          1HG2      THR  30  -4.847  -3.591  -1.929
  230   2HG2  THR  30          2HG2      THR  30  -3.662  -2.915  -3.045
  231   3HG2  THR  30          3HG2      THR  30  -5.382  -2.629  -3.306
  232    H    TYR  31           H        TYR  31  -2.734   0.034   0.331
  233    HA   TYR  31           HA       TYR  31  -0.459  -1.814   0.516
  234   1HB   TYR  31          2HB       TYR  31   1.006  -0.183   1.365
  235   2HB   TYR  31          1HB       TYR  31   0.214   0.617   0.011
  236    HD1  TYR  31          1HD       TYR  31  -2.315   1.502   1.078
  237    HD2  TYR  31          2HD       TYR  31   1.500   1.418   2.959
  238    HE1  TYR  31          1HE       TYR  31  -3.014   3.333   2.565
  239    HE2  TYR  31          2HE       TYR  31   0.812   3.247   4.451
  240    HH   TYR  31           HH       TYR  31  -2.482   4.405   4.541
  241    H    CYS  32           H        CYS  32   0.251  -2.136   2.805
  242    HA   CYS  32           HA       CYS  32  -2.110  -2.261   4.529
  243   1HB   CYS  32          2HB       CYS  32   0.414  -3.838   4.293
  244   2HB   CYS  32          1HB       CYS  32  -0.388  -3.770   5.854
  245    H    GLU  33           H        GLU  33  -1.248  -2.340   7.001
  246    HA   GLU  33           HA       GLU  33  -0.114   0.317   7.421
  247   1HB   GLU  33          2HB       GLU  33  -1.084   0.282   9.560
  248   2HB   GLU  33          1HB       GLU  33  -2.268  -0.510   8.529
  249   1HG   GLU  33          2HG       GLU  33  -1.284  -2.700   9.275
  250   2HG   GLU  33          1HG       GLU  33  -0.368  -1.786  10.473
  251    H    ASN  34           H        ASN  34   0.816  -2.946   7.528
  252    HA   ASN  34           HA       ASN  34   3.183  -2.262   9.147
  253   1HB   ASN  34          2HB       ASN  34   1.686  -3.979  10.171
  254   2HB   ASN  34          1HB       ASN  34   1.971  -5.008   8.770
  255   1HD2  ASN  34          1HD2      ASN  34   4.501  -2.986   9.965
  256   2HD2  ASN  34          2HD2      ASN  34   5.458  -4.241  10.672
  257    H    ARG  35           H        ARG  35   5.169  -2.637   8.308
  258    HA   ARG  35           HA       ARG  35   5.396  -3.038   5.497
  259   1HB   ARG  35          2HB       ARG  35   7.047  -2.075   7.599
  260   2HB   ARG  35          1HB       ARG  35   7.921  -3.370   6.794
  261   1HG   ARG  35          2HG       ARG  35   6.798  -1.770   4.766
  262   2HG   ARG  35          1HG       ARG  35   7.518  -0.677   5.951
  263   1HD   ARG  35          2HD       ARG  35   8.904  -3.016   4.645
  264   2HD   ARG  35          1HD       ARG  35   9.117  -1.322   4.206
  265    HE   ARG  35           HE       ARG  35   9.650  -1.770   6.968
  266   1HH1  ARG  35          2HH1      ARG  35  10.996  -2.116   3.775
  267   2HH1  ARG  35          1HH1      ARG  35  12.639  -2.029   4.318
  268   1HH2  ARG  35          1HH2      ARG  35  11.810  -1.656   7.694
  269   2HH2  ARG  35          2HH2      ARG  35  13.102  -1.768   6.545
  270    H    ASN  36           H        ASN  36   4.456  -5.240   7.476
  271    HA   ASN  36           HA       ASN  36   6.012  -7.382   6.204
  272   1HB   ASN  36          2HB       ASN  36   6.581  -6.872   8.697
  273   2HB   ASN  36          1HB       ASN  36   5.045  -7.667   9.031
  274   1HD2  ASN  36          1HD2      ASN  36   6.622  -8.781   6.248
  275   2HD2  ASN  36          2HD2      ASN  36   7.286 -10.231   6.910
  276    H    GLN  37           H        GLN  37   3.077  -5.971   6.769
  277    HA   GLN  37           HA       GLN  37   1.575  -8.480   6.550
  278   1HB   GLN  37          2HB       GLN  37   1.138  -6.233   8.101
  279   2HB   GLN  37          1HB       GLN  37   0.012  -6.023   6.770
  280   1HG   GLN  37          2HG       GLN  37  -0.732  -8.411   7.245
  281   2HG   GLN  37          1HG       GLN  37   0.163  -8.263   8.756
  282   1HE2  GLN  37          1HE2      GLN  37  -2.078  -8.701   9.554
  283   2HE2  GLN  37          2HE2      GLN  37  -3.095  -7.334   9.847
  284    H    LYS  38           H        LYS  38   0.416  -8.986   4.767
  285    HA   LYS  38           HA       LYS  38   0.687  -7.203   2.463
  286   1HB   LYS  38          2HB       LYS  38  -0.483  -9.802   1.918
  287   2HB   LYS  38          1HB       LYS  38   0.948  -9.051   1.225
  288   1HG   LYS  38          2HG       LYS  38   1.974  -9.714   3.573
  289   2HG   LYS  38          1HG       LYS  38   0.698 -10.929   3.502
  290   1HD   LYS  38          2HD       LYS  38   2.250 -10.619   1.027
  291   2HD   LYS  38          1HD       LYS  38   3.168 -11.222   2.409
  292   1HE   LYS  38          2HE       LYS  38   2.235 -13.233   2.217
  293   2HE   LYS  38          1HE       LYS  38   0.617 -12.536   2.259
  294   1HZ   LYS  38          1HZ       LYS  38   0.399 -12.799   0.078
  295   2HZ   LYS  38          2HZ       LYS  38   1.789 -13.762   0.122
  296   3HZ   LYS  38          3HZ       LYS  38   1.913 -12.119  -0.255
  297    H    CYS  39           H        CYS  39  -1.120  -6.852   1.047
  298    HA   CYS  39           HA       CYS  39  -3.662  -6.806   2.509
  299   1HB   CYS  39          2HB       CYS  39  -2.811  -4.645   1.685
  300   2HB   CYS  39          1HB       CYS  39  -2.845  -5.267   0.040
  301    H    CYS  40           H        CYS  40  -4.764  -8.594   2.128
  302    HA   CYS  40           HA       CYS  40  -4.837  -9.735  -0.557
  303   1HB   CYS  40          2HB       CYS  40  -6.320 -11.325   1.219
  304   2HB   CYS  40          1HB       CYS  40  -4.707 -11.642   0.591
  305    H    GLU  41           H        GLU  41  -6.829 -10.269  -1.562
  306    HA   GLU  41           HA       GLU  41  -8.739  -8.343  -1.717
  307   1HB   GLU  41          2HB       GLU  41  -8.384 -10.864  -2.819
  308   2HB   GLU  41          1HB       GLU  41  -9.945 -10.980  -2.018
  309   1HG   GLU  41          2HG       GLU  41  -9.936  -8.528  -3.381
  310   2HG   GLU  41          1HG       GLU  41  -9.264  -9.720  -4.490
  311    H    TYR  42           HN       TYR  42  -8.826 -11.181   0.410
  312    HA   TYR  42           HA       TYR  42 -10.757  -9.760   2.100
  313   1HB   TYR  42          2HB       TYR  42 -12.290 -11.171   1.128
  314   2HB   TYR  42          1HB       TYR  42 -11.099 -12.429   0.821
  315    HD1  TYR  42          1HD       TYR  42 -11.094 -14.325   2.158
  316    HD2  TYR  42          2HD       TYR  42 -12.870 -10.759   3.648
  317    HE1  TYR  42          1HE       TYR  42 -11.870 -15.550   4.143
  318    HE2  TYR  42          2HE       TYR  42 -13.651 -11.973   5.639
  319    HH   TYR  42           HH       TYR  42 -14.005 -14.066   6.499
  Start of MODEL   20
    1   1H    ILE   1          1H        ILE   1   1.657   4.439 -10.812
    2   2H    ILE   1          2H        ILE   1   1.304   5.411  -9.442
    3   3H    ILE   1          3H        ILE   1   2.680   4.384  -9.438
    4    HA   ILE   1           HA       ILE   1   2.822   6.024 -11.664
    5    HB   ILE   1           HB       ILE   1   1.323   7.541 -10.462
    6   1HG1  ILE   1          2HG1      ILE   1   3.178   9.431 -10.134
    7   2HG1  ILE   1          1HG1      ILE   1   4.183   8.229 -10.939
    8   1HG2  ILE   1          1HG2      ILE   1   1.409   7.349  -8.225
    9   2HG2  ILE   1          2HG2      ILE   1   2.667   8.580  -8.352
   10   3HG2  ILE   1          3HG2      ILE   1   3.108   6.877  -8.229
   11   1HD1  ILE   1          1HD1      ILE   1   2.471   8.158 -12.761
   12   2HD1  ILE   1          2HD1      ILE   1   3.337   9.685 -12.602
   13   3HD1  ILE   1          3HD1      ILE   1   1.691   9.536 -11.986
   14    H    MET   2           H        MET   2   4.433   4.124 -10.964
   15    HA   MET   2           HA       MET   2   6.427   3.518  -9.872
   16   1HB   MET   2          2HB       MET   2   7.411   5.926 -11.375
   17   2HB   MET   2          1HB       MET   2   8.185   4.359 -11.180
   18   1HG   MET   2          2HG       MET   2   6.289   3.404 -12.553
   19   2HG   MET   2          1HG       MET   2   5.852   5.070 -12.927
   20   1HE   MET   2          1HE       MET   2   7.458   3.923 -16.270
   21   2HE   MET   2          2HE       MET   2   6.278   5.061 -15.622
   22   3HE   MET   2          3HE       MET   2   6.165   3.348 -15.218
   23    H    PHE   3           H        PHE   3   5.191   4.740  -7.875
   24    HA   PHE   3           HA       PHE   3   7.330   6.286  -6.630
   25   1HB   PHE   3          2HB       PHE   3   4.915   7.472  -7.571
   26   2HB   PHE   3          1HB       PHE   3   4.882   7.491  -5.811
   27    HD1  PHE   3          1HD       PHE   3   4.850  10.027  -6.974
   28    HD2  PHE   3          2HD       PHE   3   8.207   7.483  -6.376
   29    HE1  PHE   3          1HE       PHE   3   6.330  11.991  -6.967
   30    HE2  PHE   3          2HE       PHE   3   9.695   9.443  -6.370
   31    HZ   PHE   3           HZ       PHE   3   8.756  11.700  -6.664
   32    H    PHE   4           H        PHE   4   4.841   3.999  -6.490
   33    HA   PHE   4           HA       PHE   4   4.270   2.501  -4.859
   34   1HB   PHE   4          2HB       PHE   4   6.501   3.945  -3.459
   35   2HB   PHE   4          1HB       PHE   4   5.505   2.788  -2.584
   36    HD1  PHE   4          1HD       PHE   4   7.037   1.077  -2.156
   37    HD2  PHE   4          2HD       PHE   4   6.598   2.573  -6.116
   38    HE1  PHE   4          1HE       PHE   4   8.433  -0.764  -3.002
   39    HE2  PHE   4          2HE       PHE   4   7.992   0.734  -6.970
   40    HZ   PHE   4           HZ       PHE   4   8.913  -0.937  -5.411
   41    H    GLU   5           H        GLU   5   2.586   4.550  -5.316
   42    HA   GLU   5           HA       GLU   5   1.836   5.618  -2.687
   43   1HB   GLU   5          2HB       GLU   5   2.101   7.253  -4.501
   44   2HB   GLU   5          1HB       GLU   5   0.881   6.408  -5.442
   45   1HG   GLU   5          2HG       GLU   5  -0.823   6.968  -3.857
   46   2HG   GLU   5          1HG       GLU   5   0.369   7.650  -2.753
   47    H    MET   6           H        MET   6   1.331   2.946  -2.947
   48    HA   MET   6           HA       MET   6  -1.034   2.080  -4.031
   49   1HB   MET   6          2HB       MET   6   0.586   1.292  -1.681
   50   2HB   MET   6          1HB       MET   6  -1.067   0.695  -1.718
   51   1HG   MET   6          2HG       MET   6  -0.710  -0.453  -3.748
   52   2HG   MET   6          1HG       MET   6   0.827   0.362  -4.022
   53   1HE   MET   6          1HE       MET   6   2.899  -2.199  -3.670
   54   2HE   MET   6          2HE       MET   6   1.586  -1.680  -4.729
   55   3HE   MET   6          3HE       MET   6   1.481  -3.226  -3.886
   56    H    GLN   7           H        GLN   7  -2.850   1.263  -2.246
   57    HA   GLN   7           HA       GLN   7  -3.799   3.708  -0.912
   58   1HB   GLN   7          2HB       GLN   7  -5.244   1.898  -2.814
   59   2HB   GLN   7          1HB       GLN   7  -6.144   2.757  -1.570
   60   1HG   GLN   7          2HG       GLN   7  -5.985   4.712  -2.634
   61   2HG   GLN   7          1HG       GLN   7  -4.298   4.448  -3.073
   62   1HE2  GLN   7          1HE2      GLN   7  -7.408   2.901  -3.831
   63   2HE2  GLN   7          2HE2      GLN   7  -7.177   2.895  -5.544
   64    H    ALA   8           H        ALA   8  -4.297   3.440   1.160
   65    HA   ALA   8           HA       ALA   8  -3.784   1.387   2.766
   66   1HB   ALA   8          1HB       ALA   8  -4.752   2.667   4.298
   67   2HB   ALA   8          2HB       ALA   8  -6.347   2.384   3.600
   68   3HB   ALA   8          3HB       ALA   8  -5.341   3.699   2.995
   69    H    CYS   9           H        CYS   9  -4.231  -0.710   2.723
   70    HA   CYS   9           HA       CYS   9  -5.851  -2.140   1.154
   71   1HB   CYS   9          2HB       CYS   9  -4.327  -2.983   3.022
   72   2HB   CYS   9          1HB       CYS   9  -5.704  -2.786   4.098
   73    H    TRP  10           H        TRP  10  -6.872  -0.169   3.818
   74    HA   TRP  10           HA       TRP  10  -9.555  -1.182   3.941
   75   1HB   TRP  10          2HB       TRP  10  -9.490   1.404   5.045
   76   2HB   TRP  10          1HB       TRP  10  -9.401  -0.119   5.912
   77    HD1  TRP  10           HD1      TRP  10  -6.714  -1.121   6.080
   78    HE1  TRP  10          1HE       TRP  10  -4.607   0.248   6.654
   79    HE3  TRP  10          3HE       TRP  10  -8.471   3.520   4.985
   80    HZ2  TRP  10          2HZ       TRP  10  -3.802   2.964   6.637
   81    HZ3  TRP  10          3HZ       TRP  10  -6.985   5.467   5.279
   82    HH2  TRP  10           HH2      TRP  10  -4.697   5.189   6.093
   83    H    SER  11           H        SER  11  -8.124   1.883   2.818
   84    HA   SER  11           HA       SER  11 -10.274   3.208   1.861
   85   1HB   SER  11          2HB       SER  11  -7.730   3.769   1.707
   86   2HB   SER  11          1HB       SER  11  -7.841   3.029   0.109
   87    HG   SER  11           HG       SER  11  -9.464   5.165   1.039
   88    H    HIS  12           H        HIS  12  -9.102   0.203   0.712
   89    HA   HIS  12           HA       HIS  12 -10.745   0.397  -1.717
   90   1HB   HIS  12          2HB       HIS  12  -8.210  -0.872  -1.111
   91   2HB   HIS  12          1HB       HIS  12  -9.355  -2.027  -1.788
   92    HD1  HIS  12          1HD       HIS  12 -10.754   0.066  -3.720
   93    HD2  HIS  12          2HD       HIS  12  -6.669  -0.623  -3.393
   94    HE1  HIS  12          1HE       HIS  12  -9.766   0.822  -5.906
   95    HE2  HIS  12          2HE       HIS  12  -7.304   0.319  -5.714
   96    H    SER  13           H        SER  13 -10.512  -1.117   1.362
   97    HA   SER  13           HA       SER  13 -12.177  -2.260   2.486
   98   1HB   SER  13          2HB       SER  13 -13.884  -1.386   0.967
   99   2HB   SER  13          1HB       SER  13 -13.439  -2.585  -0.248
  100    HG   SER  13           HG       SER  13 -14.079  -3.574   2.259
  101    H    GLY  14           H        GLY  14 -10.013  -3.508   2.441
  102   1HA   GLY  14          2HA       GLY  14 -10.620  -6.218   1.454
  103   2HA   GLY  14          1HA       GLY  14  -9.033  -5.513   1.181
  104    H    VAL  15           H        VAL  15  -7.924  -7.058   2.352
  105    HA   VAL  15           HA       VAL  15  -8.173  -6.786   5.260
  106    HB   VAL  15           HB       VAL  15  -8.013  -9.428   3.801
  107   1HG1  VAL  15          1HG1      VAL  15  -8.357 -10.023   6.443
  108   2HG1  VAL  15          2HG1      VAL  15  -7.254  -8.650   6.518
  109   3HG1  VAL  15          3HG1      VAL  15  -6.818 -10.081   5.582
  110   1HG2  VAL  15          1HG2      VAL  15 -10.157  -9.898   4.633
  111   2HG2  VAL  15          2HG2      VAL  15 -10.257  -8.237   4.049
  112   3HG2  VAL  15          3HG2      VAL  15 -10.101  -8.557   5.777
  113    H    CYS  16           H        CYS  16  -6.238  -7.790   6.385
  114    HA   CYS  16           HA       CYS  16  -3.825  -7.753   4.723
  115   1HB   CYS  16          2HB       CYS  16  -4.077  -6.189   7.298
  116   2HB   CYS  16          1HB       CYS  16  -2.666  -6.265   6.247
  117    H    ARG  17           H        ARG  17  -2.813  -9.604   5.059
  118    HA   ARG  17           HA       ARG  17  -2.822 -10.740   7.779
  119   1HB   ARG  17          2HB       ARG  17  -2.278 -12.823   5.980
  120   2HB   ARG  17          1HB       ARG  17  -3.746 -12.579   6.918
  121   1HG   ARG  17          2HG       ARG  17  -4.036 -10.887   4.740
  122   2HG   ARG  17          1HG       ARG  17  -3.312 -12.351   4.071
  123   1HD   ARG  17          2HD       ARG  17  -6.005 -11.909   4.788
  124   2HD   ARG  17          1HD       ARG  17  -5.268 -13.395   4.189
  125    HE   ARG  17           HE       ARG  17  -4.816 -13.951   6.550
  126   1HH1  ARG  17          2HH1      ARG  17  -7.259 -11.585   5.807
  127   2HH1  ARG  17          1HH1      ARG  17  -8.131 -11.830   7.284
  128   1HH2  ARG  17          1HH2      ARG  17  -5.953 -14.283   8.498
  129   2HH2  ARG  17          2HH2      ARG  17  -7.388 -13.364   8.815
  130    H    ASP  18           H        ASP  18  -0.917 -11.717   8.515
  131    HA   ASP  18           HA       ASP  18   1.464 -10.504   8.026
  132   1HB   ASP  18          2HB       ASP  18   0.915 -12.162   9.866
  133   2HB   ASP  18          1HB       ASP  18   1.278 -13.438   8.710
  134    H    LYS  19           H        LYS  19   2.724 -10.334   6.305
  135    HA   LYS  19           HA       LYS  19   2.453 -11.309   3.843
  136   1HB   LYS  19          2HB       LYS  19   4.693 -10.312   5.377
  137   2HB   LYS  19          1HB       LYS  19   5.227 -11.514   4.210
  138   1HG   LYS  19          2HG       LYS  19   3.356  -9.601   3.074
  139   2HG   LYS  19          1HG       LYS  19   4.811  -8.843   3.721
  140   1HD   LYS  19          2HD       LYS  19   4.521 -10.818   1.504
  141   2HD   LYS  19          1HD       LYS  19   5.465  -9.329   1.565
  142   1HE   LYS  19          2HE       LYS  19   6.090 -11.979   2.842
  143   2HE   LYS  19          1HE       LYS  19   7.020 -11.117   1.619
  144   1HZ   LYS  19          1HZ       LYS  19   8.044  -9.905   3.164
  145   2HZ   LYS  19          2HZ       LYS  19   7.470 -11.031   4.287
  146   3HZ   LYS  19          3HZ       LYS  19   6.618  -9.595   4.021
  147    H    SER  20           H        SER  20   3.301 -13.199   6.574
  148    HA   SER  20           HA       SER  20   4.250 -15.438   4.961
  149   1HB   SER  20          2HB       SER  20   4.813 -14.544   7.546
  150   2HB   SER  20          1HB       SER  20   3.873 -16.018   7.778
  151    HG   SER  20           HG       SER  20   5.896 -16.076   5.864
  152    H    GLU  21           H        GLU  21   1.413 -14.389   5.018
  153    HA   GLU  21           HA       GLU  21  -0.055 -16.613   6.147
  154   1HB   GLU  21          2HB       GLU  21  -0.649 -13.940   5.752
  155   2HB   GLU  21          1HB       GLU  21  -1.595 -14.754   4.519
  156   1HG   GLU  21          2HG       GLU  21  -1.865 -16.172   6.975
  157   2HG   GLU  21          1HG       GLU  21  -2.167 -14.460   7.262
  158    H    ARG  22           H        ARG  22  -1.450 -17.894   4.954
  159    HA   ARG  22           HA       ARG  22  -0.565 -18.383   2.210
  160   1HB   ARG  22          2HB       ARG  22  -1.496 -20.065   4.455
  161   2HB   ARG  22          1HB       ARG  22  -2.029 -20.555   2.859
  162   1HG   ARG  22          2HG       ARG  22   0.757 -19.934   2.782
  163   2HG   ARG  22          1HG       ARG  22   0.432 -21.068   4.095
  164   1HD   ARG  22          2HD       ARG  22  -1.083 -22.071   2.037
  165   2HD   ARG  22          1HD       ARG  22   0.348 -21.468   1.204
  166    HE   ARG  22           HE       ARG  22   1.639 -23.059   2.300
  167   1HH1  ARG  22          2HH1      ARG  22  -1.652 -23.116   3.433
  168   2HH1  ARG  22          1HH1      ARG  22  -1.484 -24.637   4.245
  169   1HH2  ARG  22          1HH2      ARG  22   1.872 -25.065   3.363
  170   2HH2  ARG  22          2HH2      ARG  22   0.520 -25.744   4.206
  171    H    ASN  23           H        ASN  23  -3.108 -17.055   3.949
  172    HA   ASN  23           HA       ASN  23  -4.966 -17.472   1.700
  173   1HB   ASN  23          2HB       ASN  23  -5.394 -18.223   4.310
  174   2HB   ASN  23          1HB       ASN  23  -6.177 -16.646   4.240
  175   1HD2  ASN  23          1HD2      ASN  23  -7.194 -19.456   4.432
  176   2HD2  ASN  23          2HD2      ASN  23  -8.365 -19.579   3.168
  177    H    CYS  24           H        CYS  24  -3.623 -15.554   0.931
  178    HA   CYS  24           HA       CYS  24  -5.003 -13.099   1.762
  179   1HB   CYS  24          2HB       CYS  24  -2.517 -13.473   2.609
  180   2HB   CYS  24          1HB       CYS  24  -2.128 -12.910   0.987
  181    H    LYS  25           H        LYS  25  -6.287 -13.025  -0.050
  182    HA   LYS  25           HA       LYS  25  -5.546 -13.589  -2.667
  183   1HB   LYS  25          2HB       LYS  25  -7.395 -11.485  -2.836
  184   2HB   LYS  25          1HB       LYS  25  -7.738 -13.210  -2.879
  185   1HG   LYS  25          2HG       LYS  25  -7.510 -11.692  -0.300
  186   2HG   LYS  25          1HG       LYS  25  -9.025 -11.813  -1.199
  187   1HD   LYS  25          2HD       LYS  25  -7.551 -14.331  -0.665
  188   2HD   LYS  25          1HD       LYS  25  -8.343 -13.551   0.704
  189   1HE   LYS  25          2HE       LYS  25 -10.468 -13.647  -0.370
  190   2HE   LYS  25          1HE       LYS  25  -9.740 -14.154  -1.895
  191   1HZ   LYS  25          1HZ       LYS  25  -9.158 -16.248  -0.947
  192   2HZ   LYS  25          2HZ       LYS  25 -10.795 -15.977  -0.622
  193   3HZ   LYS  25          3HZ       LYS  25  -9.644 -15.760   0.599
  194    HA   PRO  26           HA       PRO  26  -2.334 -10.444  -3.119
  195   1HB   PRO  26          2HB       PRO  26  -2.325 -10.968  -5.908
  196   2HB   PRO  26          1HB       PRO  26  -1.196 -11.581  -4.700
  197   1HG   PRO  26          2HG       PRO  26  -3.575 -12.885  -5.899
  198   2HG   PRO  26          1HG       PRO  26  -2.079 -13.611  -5.286
  199   1HD   PRO  26          2HD       PRO  26  -4.381 -13.791  -3.925
  200   2HD   PRO  26          1HD       PRO  26  -2.826 -13.596  -3.089
  201    H    MET  27           H        MET  27  -3.642  -8.633  -2.705
  202    HA   MET  27           HA       MET  27  -5.077  -7.543  -5.033
  203   1HB   MET  27          2HB       MET  27  -5.707  -7.649  -2.212
  204   2HB   MET  27          1HB       MET  27  -5.694  -5.985  -2.781
  205   1HG   MET  27          2HG       MET  27  -7.316  -8.256  -3.906
  206   2HG   MET  27          1HG       MET  27  -7.915  -6.904  -2.946
  207   1HE   MET  27          1HE       MET  27  -9.610  -7.130  -4.808
  208   2HE   MET  27          2HE       MET  27  -8.947  -7.664  -6.353
  209   3HE   MET  27          3HE       MET  27  -9.577  -6.026  -6.184
  210    H    ALA  28           H        ALA  28  -3.612  -6.369  -6.138
  211    HA   ALA  28           HA       ALA  28  -1.473  -4.939  -4.966
  212   1HB   ALA  28          1HB       ALA  28  -2.527  -5.392  -7.638
  213   2HB   ALA  28          2HB       ALA  28  -0.860  -5.194  -7.094
  214   3HB   ALA  28          3HB       ALA  28  -1.852  -3.775  -7.429
  215    H    TRP  29           H        TRP  29  -1.380  -2.482  -6.066
  216    HA   TRP  29           HA       TRP  29  -1.815  -0.360  -5.351
  217   1HB   TRP  29          2HB       TRP  29  -4.486  -1.185  -6.495
  218   2HB   TRP  29          1HB       TRP  29  -3.921   0.463  -6.277
  219    HD1  TRP  29           HD1      TRP  29  -4.329  -1.841  -8.958
  220    HE1  TRP  29          1HE       TRP  29  -2.684  -1.408 -10.890
  221    HE3  TRP  29          3HE       TRP  29  -0.986   1.158  -6.518
  222    HZ2  TRP  29          2HZ       TRP  29  -0.282   0.016 -11.320
  223    HZ3  TRP  29          3HZ       TRP  29   0.957   2.014  -7.761
  224    HH2  TRP  29           HH2      TRP  29   1.300   1.454 -10.113
  225    H    THR  30           H        THR  30  -1.617  -1.033  -3.070
  226    HA   THR  30           HA       THR  30  -3.266   0.217  -1.370
  227    HB   THR  30           HB       THR  30  -5.242  -0.884  -1.807
  228    HG1  THR  30          1HG       THR  30  -4.248  -1.342   0.454
  229   1HG2  THR  30          1HG2      THR  30  -4.719  -2.525  -3.359
  230   2HG2  THR  30          2HG2      THR  30  -5.338  -3.429  -1.978
  231   3HG2  THR  30          3HG2      THR  30  -3.600  -3.339  -2.264
  232    H    TYR  31           H        TYR  31  -2.510   0.113   0.684
  233    HA   TYR  31           HA       TYR  31  -0.911  -2.206   1.483
  234   1HB   TYR  31          2HB       TYR  31   1.037  -1.048   1.867
  235   2HB   TYR  31          1HB       TYR  31   0.428  -0.149   0.483
  236    HD1  TYR  31          1HD       TYR  31  -0.936   1.979   0.975
  237    HD2  TYR  31          2HD       TYR  31   1.526   0.058   3.865
  238    HE1  TYR  31          1HE       TYR  31  -0.864   4.057   2.287
  239    HE2  TYR  31          2HE       TYR  31   1.602   2.131   5.185
  240    HH   TYR  31           HH       TYR  31   1.206   4.391   5.095
  241    H    CYS  32           H        CYS  32  -0.561  -2.364   3.776
  242    HA   CYS  32           HA       CYS  32  -2.702  -1.052   5.295
  243   1HB   CYS  32          2HB       CYS  32  -1.785  -3.721   5.179
  244   2HB   CYS  32          1HB       CYS  32  -1.360  -3.117   6.776
  245    H    GLU  33           H        GLU  33  -1.784  -1.371   7.859
  246    HA   GLU  33           HA       GLU  33   0.189   0.746   8.004
  247   1HB   GLU  33          2HB       GLU  33  -1.982  -0.071   9.593
  248   2HB   GLU  33          1HB       GLU  33  -0.547  -0.352  10.569
  249   1HG   GLU  33          2HG       GLU  33  -0.130   2.154   9.476
  250   2HG   GLU  33          1HG       GLU  33  -1.851   2.129   9.854
  251    H    ASN  34           H        ASN  34   0.664  -2.256   7.321
  252    HA   ASN  34           HA       ASN  34   2.953  -2.589   9.147
  253   1HB   ASN  34          2HB       ASN  34   1.015  -4.276   9.338
  254   2HB   ASN  34          1HB       ASN  34   1.568  -4.889   7.782
  255   1HD2  ASN  34          1HD2      ASN  34   4.294  -3.821   9.050
  256   2HD2  ASN  34          2HD2      ASN  34   4.837  -5.221   9.905
  257    H    ARG  35           H        ARG  35   4.903  -2.718   8.223
  258    HA   ARG  35           HA       ARG  35   5.115  -2.488   5.357
  259   1HB   ARG  35          2HB       ARG  35   6.713  -1.788   7.599
  260   2HB   ARG  35          1HB       ARG  35   7.665  -2.867   6.589
  261   1HG   ARG  35          2HG       ARG  35   6.260  -0.798   5.087
  262   2HG   ARG  35          1HG       ARG  35   7.426  -0.168   6.251
  263   1HD   ARG  35          2HD       ARG  35   7.856  -1.636   3.753
  264   2HD   ARG  35          1HD       ARG  35   8.914  -0.511   4.605
  265    HE   ARG  35           HE       ARG  35   8.687  -3.394   5.130
  266   1HH1  ARG  35          2HH1      ARG  35  10.338  -0.353   5.523
  267   2HH1  ARG  35          1HH1      ARG  35  11.747  -1.062   6.238
  268   1HH2  ARG  35          1HH2      ARG  35  10.537  -4.339   6.073
  269   2HH2  ARG  35          2HH2      ARG  35  11.861  -3.328   6.549
  270    H    ASN  36           H        ASN  36   4.608  -5.056   7.257
  271    HA   ASN  36           HA       ASN  36   6.073  -6.855   5.448
  272   1HB   ASN  36          2HB       ASN  36   6.958  -6.605   7.910
  273   2HB   ASN  36          1HB       ASN  36   5.589  -7.643   8.298
  274   1HD2  ASN  36          1HD2      ASN  36   6.850  -8.107   5.190
  275   2HD2  ASN  36          2HD2      ASN  36   7.772  -9.533   5.513
  276    H    GLN  37           H        GLN  37   3.174  -5.763   6.307
  277    HA   GLN  37           HA       GLN  37   1.810  -8.355   6.269
  278   1HB   GLN  37          2HB       GLN  37   1.344  -6.144   7.790
  279   2HB   GLN  37          1HB       GLN  37   0.202  -5.894   6.477
  280   1HG   GLN  37          2HG       GLN  37  -0.746  -8.119   6.897
  281   2HG   GLN  37          1HG       GLN  37   0.377  -8.327   8.240
  282   1HE2  GLN  37          1HE2      GLN  37  -1.692  -8.665   9.386
  283   2HE2  GLN  37          2HE2      GLN  37  -2.498  -7.279  10.030
  284    H    LYS  38           H        LYS  38   0.324  -8.904   4.694
  285    HA   LYS  38           HA       LYS  38   0.511  -7.336   2.222
  286   1HB   LYS  38          2HB       LYS  38  -0.660 -10.077   2.283
  287   2HB   LYS  38          1HB       LYS  38   0.284  -9.291   1.027
  288   1HG   LYS  38          2HG       LYS  38   2.262  -9.473   2.606
  289   2HG   LYS  38          1HG       LYS  38   1.258 -10.566   3.560
  290   1HD   LYS  38          2HD       LYS  38   1.969 -10.931   0.650
  291   2HD   LYS  38          1HD       LYS  38   2.720 -11.782   2.004
  292   1HE   LYS  38          2HE       LYS  38   0.821 -13.030   2.442
  293   2HE   LYS  38          1HE       LYS  38  -0.246 -11.874   1.648
  294   1HZ   LYS  38          1HZ       LYS  38   1.536 -12.825  -0.271
  295   2HZ   LYS  38          2HZ       LYS  38  -0.129 -13.106  -0.171
  296   3HZ   LYS  38          3HZ       LYS  38   0.953 -14.174   0.569
  297    H    CYS  39           H        CYS  39  -1.406  -7.163   0.868
  298    HA   CYS  39           HA       CYS  39  -3.869  -7.011   2.477
  299   1HB   CYS  39          2HB       CYS  39  -3.121  -4.809   1.807
  300   2HB   CYS  39          1HB       CYS  39  -2.989  -5.324   0.130
  301    H    CYS  40           H        CYS  40  -5.101  -8.700   2.017
  302    HA   CYS  40           HA       CYS  40  -5.200  -9.738  -0.706
  303   1HB   CYS  40          2HB       CYS  40  -6.773 -11.319   1.007
  304   2HB   CYS  40          1HB       CYS  40  -5.182 -11.693   0.359
  305    H    GLU  41           H        GLU  41  -7.342 -10.447  -1.520
  306    HA   GLU  41           HA       GLU  41  -9.142  -8.336  -1.688
  307   1HB   GLU  41          2HB       GLU  41  -8.911 -10.980  -2.739
  308   2HB   GLU  41          1HB       GLU  41 -10.560 -10.751  -2.176
  309   1HG   GLU  41          2HG       GLU  41  -9.124  -8.887  -4.051
  310   2HG   GLU  41          1HG       GLU  41 -10.219 -10.173  -4.556
  311    H    TYR  42           HN       TYR  42  -9.412 -11.337   0.208
  312    HA   TYR  42           HA       TYR  42 -11.195  -9.926   2.056
  313   1HB   TYR  42          2HB       TYR  42 -12.887 -11.065   1.024
  314   2HB   TYR  42          1HB       TYR  42 -11.822 -12.349   0.461
  315    HD1  TYR  42          1HD       TYR  42 -13.831 -11.130   3.287
  316    HD2  TYR  42          2HD       TYR  42 -11.421 -14.309   1.808
  317    HE1  TYR  42          1HE       TYR  42 -14.637 -12.577   5.103
  318    HE2  TYR  42          2HE       TYR  42 -12.222 -15.765   3.620
  319    HH   TYR  42           HH       TYR  42 -14.823 -14.823   5.724