*HEADER    TOXIN                                   31-MAY-05   1ZUF              
*TITLE     SOLUTION STRUCTURE OF DLP-4                                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DEFENSIN-LIKE PEPTIDE 2/4;                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: DLP-4;                                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: CHEMICALLY SYNTHESIZED                                
*KEYWDS    HELIX, ANTIPARALLEL BETA-SHEET                                        
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.M.TORRES, C.TSAMPAZI, D.P.GERAGHTY, P.S.BANSAL,                     
*AUTHOR   2 P.F.ALEWOOD, P.W.KUCHEL                                              
*REVDAT   1   02-AUG-05 1ZUF    0                                                

remark input file: dlp4r3.cfm                                        
remark output file: dlp4r3noe.tbl                                     
set echo=false endset wrnlev=0 end
! range |i-j| =     0

assign (resid   2 and name HN    )(resid   2 and name HB*   )  0.00  0.00  3.73
assign (resid   2 and name HN    )(resid   2 and name HG2   )  0.00  0.00  5.50
assign (resid   2 and name HN    )(resid   2 and name HG1   )  0.00  0.00  5.50
assign (resid   3 and name HN    )(resid   3 and name HA    )  0.00  0.00  2.68
assign (resid   4 and name HN    )(resid   4 and name HB2   )  0.00  0.00  3.70
assign (resid   4 and name HN    )(resid   4 and name HB1   )  0.00  0.00  3.70
assign (resid   4 and name HN    )(resid   4 and name HB*   )  0.00  0.00  3.38
assign (resid   5 and name HN    )(resid   5 and name HA    )  0.00  0.00  2.59
assign (resid   5 and name HN    )(resid   5 and name HB2   )  0.00  0.00  3.42
assign (resid   5 and name HN    )(resid   5 and name HB1   )  0.00  0.00  3.42
assign (resid   5 and name HN    )(resid   5 and name HB*   )  0.00  0.00  3.15
assign (resid   5 and name HN    )(resid   5 and name HG*   )  0.00  0.00  5.63
assign (resid   6 and name HN    )(resid   6 and name HB2   )  0.00  0.00  3.21
assign (resid   6 and name HN    )(resid   6 and name HB*   )  0.00  0.00  2.85
assign (resid   6 and name HN    )(resid   6 and name HG2   )  0.00  0.00  4.20
assign (resid   6 and name HN    )(resid   6 and name HG1   )  0.00  0.00  4.20
assign (resid   6 and name HN    )(resid   6 and name HG*   )  0.00  0.00  3.83
assign (resid   7 and name HN    )(resid   7 and name HA    )  0.00  0.00  2.62
assign (resid   7 and name HN    )(resid   7 and name HB*   )  0.00  0.00  3.53
assign (resid   7 and name HN    )(resid   7 and name HG*   )  0.00  0.00  5.26
assign (resid  10 and name HA    )(resid  10 and name HB2   )  0.00  0.00  3.36
assign (resid  10 and name HA    )(resid  10 and name HB1   )  0.00  0.00  3.36
assign (resid  10 and name HA    )(resid  10 and name HB*   )  0.00  0.00  3.13
assign (resid   9 and name HN    )(resid   9 and name HB*   )  0.00  0.00  3.42
assign (resid  10 and name HN    )(resid  10 and name HA    )  0.00  0.00  2.71
assign (resid  10 and name HN    )(resid  10 and name HB2   )  0.00  0.00  3.11
assign (resid  10 and name HN    )(resid  10 and name HD1   )  0.00  0.00  4.29
assign (resid  10 and name HB2   )(resid  10 and name HD1   )  0.00  0.00  3.95
assign (resid  10 and name HB1   )(resid  10 and name HD1   )  0.00  0.00  3.95
assign (resid  11 and name HN    )(resid  11 and name HB2   )  0.00  0.00  3.30
assign (resid  11 and name HN    )(resid  11 and name HB1   )  0.00  0.00  3.30
assign (resid  11 and name HA    )(resid  11 and name HB2   )  0.00  0.00  2.74
assign (resid  12 and name HN    )(resid  12 and name HB2   )  0.00  0.00  3.64
assign (resid  12 and name HN    )(resid  12 and name HB1   )  0.00  0.00  3.64
assign (resid  12 and name HN    )(resid  12 and name HB*   )  0.00  0.00  3.21
assign (resid  13 and name HN    )(resid  13 and name HA    )  0.00  0.00  2.40
assign (resid  15 and name HN    )(resid  15 and name HB    )  0.00  0.00  3.05
assign (resid  15 and name HN    )(resid  15 and name HG1*  )  0.00  0.00  4.48
assign (resid  15 and name HN    )(resid  15 and name HG2*  )  0.00  0.00  4.48
assign (resid  15 and name HN    )(resid  15 and name HG*   )  0.00  0.00  3.98
assign (resid  16 and name HN    )(resid  16 and name HB2   )  0.00  0.00  3.02
assign (resid  16 and name HN    )(resid  16 and name HB1   )  0.00  0.00  3.02
assign (resid  16 and name HN    )(resid  16 and name HB*   )  0.00  0.00  2.73
assign (resid  17 and name HN    )(resid  17 and name HB2   )  0.00  0.00  3.24
assign (resid  17 and name HN    )(resid  17 and name HB1   )  0.00  0.00  3.24
assign (resid  17 and name HN    )(resid  17 and name HB*   )  0.00  0.00  3.05
assign (resid  17 and name HN    )(resid  17 and name HG*   )  0.00  0.00  5.17
assign (resid  17 and name HN    )(resid  17 and name HD*   )  0.00  0.00  6.38
assign (resid  17 and name HA    )(resid  17 and name HD*   )  0.00  0.00  6.38
assign (resid  17 and name HB*   )(resid  17 and name HE    )  0.00  0.00  6.38
assign (resid  18 and name HN    )(resid  18 and name HB*   )  0.00  0.00  3.62
assign (resid  19 and name HN    )(resid  19 and name HG2   )  0.00  0.00  3.83
assign (resid  19 and name HN    )(resid  19 and name HG1   )  0.00  0.00  3.83
assign (resid  19 and name HN    )(resid  19 and name HB*   )  0.00  0.00  3.31
assign (resid  19 and name HN    )(resid  19 and name HG*   )  0.00  0.00  3.52
assign (resid  19 and name HN    )(resid  19 and name HD*   )  0.00  0.00  5.85
assign (resid  19 and name HA    )(resid  19 and name HB*   )  0.00  0.00  2.68
assign (resid  19 and name HA    )(resid  19 and name HG2   )  0.00  0.00  3.42
assign (resid  19 and name HA    )(resid  19 and name HG1   )  0.00  0.00  3.42
assign (resid  19 and name HA    )(resid  19 and name HD*   )  0.00  0.00  4.92
assign (resid  19 and name HB*   )(resid  19 and name HE*   )  0.00  0.00  5.95
assign (resid  19 and name HB*   )(resid  19 and name HZ*   )  0.00  0.00  7.19
assign (resid  19 and name HG2   )(resid  19 and name HZ*   )  0.00  0.00  6.31
assign (resid  19 and name HG1   )(resid  19 and name HZ*   )  0.00  0.00  6.31
assign (resid  20 and name HN    )(resid  20 and name HB2   )  0.00  0.00  3.08
assign (resid  20 and name HN    )(resid  20 and name HB1   )  0.00  0.00  3.08
assign (resid  20 and name HN    )(resid  20 and name HB*   )  0.00  0.00  2.81
assign (resid  20 and name HA    )(resid  20 and name HB2   )  0.00  0.00  2.62
assign (resid  21 and name HN    )(resid  21 and name HA    )  0.00  0.00  2.90
assign (resid  21 and name HN    )(resid  21 and name HB2   )  0.00  0.00  2.65
assign (resid  21 and name HN    )(resid  21 and name HB1   )  0.00  0.00  2.65
assign (resid  21 and name HN    )(resid  21 and name HB*   )  0.00  0.00  2.43
assign (resid  21 and name HN    )(resid  21 and name HG*   )  0.00  0.00  6.04
assign (resid  22 and name HN    )(resid  22 and name HG2   )  0.00  0.00  4.04
assign (resid  22 and name HN    )(resid  22 and name HG1   )  0.00  0.00  4.04
assign (resid  22 and name HN    )(resid  22 and name HD*   )  0.00  0.00  6.38
assign (resid  22 and name HA    )(resid  22 and name HB2   )  0.00  0.00  2.99
assign (resid  22 and name HA    )(resid  22 and name HG2   )  0.00  0.00  3.67
assign (resid  22 and name HA    )(resid  22 and name HG1   )  0.00  0.00  3.67
assign (resid  22 and name HA    )(resid  22 and name HG*   )  0.00  0.00  3.32
assign (resid  22 and name HA    )(resid  22 and name HD*   )  0.00  0.00  6.38
assign (resid  22 and name HA    )(resid  22 and name HE    )  0.00  0.00  5.50
assign (resid  22 and name HB2   )(resid  22 and name HE    )  0.00  0.00  5.50
assign (resid  22 and name HB1   )(resid  22 and name HE    )  0.00  0.00  5.50
assign (resid  23 and name HN    )(resid  23 and name HB2   )  0.00  0.00  3.21
assign (resid  23 and name HN    )(resid  23 and name HB1   )  0.00  0.00  3.21
assign (resid  23 and name HN    )(resid  23 and name HB*   )  0.00  0.00  2.97
assign (resid  23 and name HA    )(resid  23 and name HB2   )  0.00  0.00  2.96
assign (resid  23 and name HA    )(resid  23 and name HB1   )  0.00  0.00  2.96
assign (resid  24 and name HN    )(resid  24 and name HB2   )  0.00  0.00  2.96
assign (resid  24 and name HN    )(resid  24 and name HB1   )  0.00  0.00  2.96
assign (resid  25 and name HN    )(resid  25 and name HB2   )  0.00  0.00  3.89
assign (resid  25 and name HN    )(resid  25 and name HB1   )  0.00  0.00  3.89
assign (resid  25 and name HN    )(resid  25 and name HB*   )  0.00  0.00  3.38
assign (resid  25 and name HN    )(resid  25 and name HG2   )  0.00  0.00  5.38
assign (resid  25 and name HN    )(resid  25 and name HG1   )  0.00  0.00  5.38
assign (resid  25 and name HN    )(resid  25 and name HG*   )  0.00  0.00  5.01
assign (resid  25 and name HN    )(resid  25 and name HD*   )  0.00  0.00  4.33
assign (resid  25 and name HN    )(resid  25 and name HE*   )  0.00  0.00  6.38
assign (resid  25 and name HA    )(resid  25 and name HD*   )  0.00  0.00  4.45
assign (resid  25 and name HB2   )(resid  25 and name HE2   )  0.00  0.00  6.91
assign (resid  25 and name HB2   )(resid  25 and name HE1   )  0.00  0.00  6.91
assign (resid  25 and name HB1   )(resid  25 and name HE2   )  0.00  0.00  6.91
assign (resid  25 and name HB1   )(resid  25 and name HE1   )  0.00  0.00  6.91
assign (resid  25 and name HB*   )(resid  25 and name HE*   )  0.00  0.00  5.35
assign (resid  27 and name HN    )(resid  27 and name HB1   )  0.00  0.00  3.24
assign (resid  27 and name HN    )(resid  27 and name HB*   )  0.00  0.00  2.88
assign (resid  27 and name HN    )(resid  27 and name HG*   )  0.00  0.00  4.70
assign (resid  28 and name HN    )(resid  28 and name HA    )  0.00  0.00  2.93
assign (resid  28 and name HN    )(resid  28 and name HB*   )  0.00  0.00  3.64
assign (resid  29 and name HN    )(resid  29 and name HA    )  0.00  0.00  2.68
assign (resid  29 and name HN    )(resid  29 and name HB2   )  0.00  0.00  3.70
assign (resid  29 and name HN    )(resid  29 and name HB1   )  0.00  0.00  3.70
assign (resid  29 and name HN    )(resid  29 and name HB*   )  0.00  0.00  3.49
assign (resid  29 and name HA    )(resid  29 and name HB2   )  0.00  0.00  3.02
assign (resid  29 and name HA    )(resid  29 and name HB1   )  0.00  0.00  3.02
assign (resid  31 and name HN    )(resid  31 and name HB2   )  0.00  0.00  3.83
assign (resid  31 and name HN    )(resid  31 and name HB1   )  0.00  0.00  3.83
assign (resid  31 and name HN    )(resid  31 and name HB*   )  0.00  0.00  3.49
assign (resid  31 and name HN    )(resid  31 and name HE*   )  0.00  0.00  7.63
assign (resid  31 and name HA    )(resid  31 and name HB2   )  0.00  0.00  2.71
assign (resid  31 and name HA    )(resid  31 and name HB1   )  0.00  0.00  2.71
assign (resid  31 and name HA    )(resid  31 and name HB*   )  0.00  0.00  2.50
assign (resid  32 and name HN    )(resid  32 and name HB2   )  0.00  0.00  3.30
assign (resid  32 and name HN    )(resid  32 and name HB1   )  0.00  0.00  3.30
assign (resid  32 and name HN    )(resid  32 and name HB*   )  0.00  0.00  2.92
assign (resid  33 and name HN    )(resid  33 and name HB*   )  0.00  0.00  3.36
assign (resid  33 and name HN    )(resid  33 and name HG*   )  0.00  0.00  4.55
assign (resid  33 and name HA    )(resid  33 and name HB*   )  0.00  0.00  2.60
assign (resid  33 and name HA    )(resid  33 and name HG*   )  0.00  0.00  3.73
assign (resid  34 and name HN    )(resid  34 and name HB2   )  0.00  0.00  2.74
assign (resid  34 and name HN    )(resid  34 and name HB*   )  0.00  0.00  2.57
assign (resid  34 and name HN    )(resid  34 and name HB1   )  0.00  0.00  2.74
assign (resid  34 and name HB2   )(resid  34 and name HD21  )  0.00  0.00  4.14
assign (resid  34 and name HB2   )(resid  34 and name HD22  )  0.00  0.00  4.14
assign (resid  34 and name HB1   )(resid  34 and name HD21  )  0.00  0.00  4.14
assign (resid  34 and name HB1   )(resid  34 and name HD22  )  0.00  0.00  4.14
assign (resid  35 and name HN    )(resid  35 and name HB2   )  0.00  0.00  3.45
assign (resid  35 and name HN    )(resid  35 and name HB1   )  0.00  0.00  3.45
assign (resid  35 and name HN    )(resid  35 and name HB*   )  0.00  0.00  3.02
assign (resid  35 and name HN    )(resid  35 and name HG2   )  0.00  0.00  3.52
assign (resid  35 and name HN    )(resid  35 and name HG1   )  0.00  0.00  3.52
assign (resid  35 and name HN    )(resid  35 and name HD*   )  0.00  0.00  6.38
assign (resid  35 and name HA    )(resid  35 and name HB1   )  0.00  0.00  2.74
assign (resid  35 and name HA    )(resid  35 and name HG*   )  0.00  0.00  3.57
assign (resid  35 and name HA    )(resid  35 and name HD*   )  0.00  0.00  4.86
assign (resid  35 and name HB*   )(resid  35 and name HE    )  0.00  0.00  6.38
assign (resid  36 and name HN    )(resid  36 and name HB2   )  0.00  0.00  2.68
assign (resid  36 and name HN    )(resid  36 and name HB1   )  0.00  0.00  2.68
assign (resid  36 and name HN    )(resid  36 and name HB*   )  0.00  0.00  2.42
assign (resid  36 and name HN    )(resid  36 and name HD2*  )  0.00  0.00  6.37
assign (resid  37 and name HN    )(resid  37 and name HB*   )  0.00  0.00  3.61
assign (resid  37 and name HN    )(resid  37 and name HG2   )  0.00  0.00  4.60
assign (resid  37 and name HN    )(resid  37 and name HG1   )  0.00  0.00  4.60
assign (resid  37 and name HN    )(resid  37 and name HG*   )  0.00  0.00  3.83
assign (resid  37 and name HA    )(resid  37 and name HE2*  )  0.00  0.00  6.37
assign (resid  38 and name HN    )(resid  38 and name HB1   )  0.00  0.00  3.33
assign (resid  38 and name HN    )(resid  38 and name HG2   )  0.00  0.00  3.42
assign (resid  38 and name HN    )(resid  38 and name HG1   )  0.00  0.00  3.42
assign (resid  38 and name HN    )(resid  38 and name HG*   )  0.00  0.00  2.82
assign (resid  38 and name HN    )(resid  38 and name HD*   )  0.00  0.00  6.38
assign (resid  38 and name HN    )(resid  38 and name HE*   )  0.00  0.00  6.38
assign (resid  38 and name HA    )(resid  38 and name HD*   )  0.00  0.00  6.38
assign (resid  38 and name HB2   )(resid  38 and name HE2   )  0.00  0.00  4.15
assign (resid  38 and name HB2   )(resid  38 and name HE1   )  0.00  0.00  4.15
assign (resid  38 and name HB1   )(resid  38 and name HE2   )  0.00  0.00  4.15
assign (resid  38 and name HB1   )(resid  38 and name HE1   )  0.00  0.00  4.15
assign (resid  38 and name HB*   )(resid  38 and name HG*   )  0.00  0.00  2.46
assign (resid  38 and name HB*   )(resid  38 and name HE*   )  0.00  0.00  3.04
assign (resid  38 and name HB*   )(resid  38 and name HZ*   )  0.00  0.00  6.32
assign (resid  38 and name HG2   )(resid  38 and name HE2   )  0.00  0.00  3.39
assign (resid  38 and name HG2   )(resid  38 and name HE1   )  0.00  0.00  3.39
assign (resid  38 and name HG2   )(resid  38 and name HZ*   )  0.00  0.00  6.31
assign (resid  38 and name HG1   )(resid  38 and name HZ*   )  0.00  0.00  6.31
assign (resid  38 and name HG*   )(resid  38 and name HE*   )  0.00  0.00  2.80
assign (resid  39 and name HN    )(resid  39 and name HB2   )  0.00  0.00  2.74
assign (resid  39 and name HN    )(resid  39 and name HB1   )  0.00  0.00  2.74
assign (resid  40 and name HN    )(resid  40 and name HB2   )  0.00  0.00  3.27
assign (resid  40 and name HN    )(resid  40 and name HB1   )  0.00  0.00  3.27
assign (resid  40 and name HN    )(resid  40 and name HB*   )  0.00  0.00  2.92
assign (resid  40 and name HA    )(resid  40 and name HB2   )  0.00  0.00  2.96
assign (resid  40 and name HA    )(resid  40 and name HB1   )  0.00  0.00  2.96
assign (resid  41 and name HN    )(resid  41 and name HB2   )  0.00  0.00  3.08
assign (resid  41 and name HN    )(resid  41 and name HB1   )  0.00  0.00  3.08
assign (resid  41 and name HN    )(resid  41 and name HB*   )  0.00  0.00  2.81
assign (resid  41 and name HN    )(resid  41 and name HG2   )  0.00  0.00  5.31
assign (resid  41 and name HN    )(resid  41 and name HG1   )  0.00  0.00  5.31
assign (resid  41 and name HN    )(resid  41 and name HG*   )  0.00  0.00  4.64
assign (resid  41 and name HA    )(resid  41 and name HB2   )  0.00  0.00  3.05
assign (resid  41 and name HA    )(resid  41 and name HB1   )  0.00  0.00  3.05
assign (resid  41 and name HA    )(resid  41 and name HG*   )  0.00  0.00  3.98
assign (resid  42 and name HN    )(resid  42 and name HA    )  0.00  0.00  2.46
assign (resid  42 and name HN    )(resid  42 and name HB2   )  0.00  0.00  3.55
assign (resid  42 and name HN    )(resid  42 and name HB1   )  0.00  0.00  3.55
assign (resid  42 and name HN    )(resid  42 and name HB*   )  0.00  0.00  3.00
assign (resid  42 and name HA    )(resid  42 and name HB2   )  0.00  0.00  2.71
assign (resid  42 and name HA    )(resid  42 and name HB1   )  0.00  0.00  2.71
! total in this range:    197
! range |i-j| =     1

assign (resid   1 and name HA    )(resid   2 and name HN    )  0.00  0.00  2.80
assign (resid   5 and name HN    )(resid   6 and name HN    )  0.00  0.00  3.55
assign (resid   5 and name HB*   )(resid   6 and name HN    )  0.00  0.00  4.39
assign (resid   5 and name HG*   )(resid   6 and name HN    )  0.00  0.00  6.38
assign (resid   6 and name HB2   )(resid   7 and name HA    )  0.00  0.00  4.45
assign (resid   6 and name HB1   )(resid   7 and name HA    )  0.00  0.00  4.45
assign (resid   6 and name HG*   )(resid   7 and name HA    )  0.00  0.00  6.38
assign (resid   7 and name HA    )(resid   8 and name HN    )  0.00  0.00  3.30
assign (resid   7 and name HG*   )(resid   8 and name HN    )  0.00  0.00  6.38
assign (resid  10 and name HN    )(resid  11 and name HN    )  0.00  0.00  3.27
assign (resid  10 and name HB*   )(resid  11 and name HN    )  0.00  0.00  5.54
assign (resid  11 and name HN    )(resid  12 and name HN    )  0.00  0.00  2.99
assign (resid  11 and name HN    )(resid  12 and name HB*   )  0.00  0.00  5.57
assign (resid  11 and name HB*   )(resid  12 and name HD2   )  0.00  0.00  6.38
assign (resid  12 and name HN    )(resid  13 and name HN    )  0.00  0.00  2.74
assign (resid  12 and name HA    )(resid  13 and name HB*   )  0.00  0.00  5.91
assign (resid  12 and name HB2   )(resid  13 and name HN    )  0.00  0.00  4.66
assign (resid  12 and name HB1   )(resid  13 and name HN    )  0.00  0.00  4.66
assign (resid  12 and name HB*   )(resid  13 and name HN    )  0.00  0.00  4.47
assign (resid  13 and name HA    )(resid  14 and name HN    )  0.00  0.00  3.11
assign (resid  14 and name HN    )(resid  15 and name HN    )  0.00  0.00  4.51
assign (resid  14 and name HA1   )(resid  15 and name HN    )  0.00  0.00  3.45
assign (resid  14 and name HA2   )(resid  15 and name HN    )  0.00  0.00  3.45
assign (resid  15 and name HN    )(resid  16 and name HN    )  0.00  0.00  4.94
assign (resid  15 and name HA    )(resid  16 and name HN    )  0.00  0.00  2.40
assign (resid  15 and name HG1*  )(resid  16 and name HN    )  0.00  0.00  5.47
assign (resid  15 and name HG2*  )(resid  16 and name HN    )  0.00  0.00  5.47
assign (resid  15 and name HG*   )(resid  16 and name HN    )  0.00  0.00  5.18
assign (resid  16 and name HN    )(resid  17 and name HN    )  0.00  0.00  4.35
assign (resid  16 and name HA    )(resid  17 and name HN    )  0.00  0.00  2.46
assign (resid  16 and name HB2   )(resid  17 and name HN    )  0.00  0.00  4.82
assign (resid  16 and name HB1   )(resid  17 and name HN    )  0.00  0.00  4.82
assign (resid  16 and name HB*   )(resid  17 and name HN    )  0.00  0.00  4.17
assign (resid  17 and name HB2   )(resid  18 and name HN    )  0.00  0.00  3.67
assign (resid  17 and name HB1   )(resid  18 and name HN    )  0.00  0.00  3.67
assign (resid  17 and name HB*   )(resid  18 and name HN    )  0.00  0.00  3.44
assign (resid  17 and name HG*   )(resid  18 and name HN    )  0.00  0.00  4.08
assign (resid  18 and name HN    )(resid  19 and name HN    )  0.00  0.00  5.50
assign (resid  18 and name HA    )(resid  19 and name HN    )  0.00  0.00  2.49
assign (resid  19 and name HN    )(resid  20 and name HN    )  0.00  0.00  3.42
assign (resid  19 and name HA    )(resid  20 and name HN    )  0.00  0.00  3.48
assign (resid  19 and name HB*   )(resid  20 and name HN    )  0.00  0.00  3.74
assign (resid  19 and name HG2   )(resid  20 and name HN    )  0.00  0.00  4.82
assign (resid  19 and name HG*   )(resid  20 and name HN    )  0.00  0.00  5.69
assign (resid  20 and name HN    )(resid  21 and name HN    )  0.00  0.00  2.83
assign (resid  20 and name HA    )(resid  21 and name HN    )  0.00  0.00  3.33
assign (resid  20 and name HB2   )(resid  21 and name HN    )  0.00  0.00  5.07
assign (resid  20 and name HB1   )(resid  21 and name HN    )  0.00  0.00  5.07
assign (resid  20 and name HB*   )(resid  21 and name HN    )  0.00  0.00  4.50
assign (resid  21 and name HN    )(resid  22 and name HN    )  0.00  0.00  4.38
assign (resid  21 and name HG*   )(resid  22 and name HN    )  0.00  0.00  6.38
assign (resid  22 and name HA    )(resid  23 and name HN    )  0.00  0.00  3.08
assign (resid  22 and name HA    )(resid  23 and name HD2*  )  0.00  0.00  5.56
assign (resid  22 and name HD*   )(resid  23 and name HD2*  )  0.00  0.00  5.13
assign (resid  23 and name HN    )(resid  24 and name HN    )  0.00  0.00  3.33
assign (resid  24 and name HN    )(resid  25 and name HN    )  0.00  0.00  4.76
assign (resid  24 and name HA    )(resid  25 and name HN    )  0.00  0.00  3.61
assign (resid  26 and name HA    )(resid  27 and name HN    )  0.00  0.00  2.40
assign (resid  26 and name HB*   )(resid  27 and name HN    )  0.00  0.00  4.18
assign (resid  27 and name HN    )(resid  28 and name HN    )  0.00  0.00  5.28
assign (resid  27 and name HA    )(resid  28 and name HN    )  0.00  0.00  2.40
assign (resid  27 and name HA    )(resid  28 and name HA    )  0.00  0.00  4.85
assign (resid  27 and name HA    )(resid  28 and name HB*   )  0.00  0.00  5.10
assign (resid  27 and name HB2   )(resid  28 and name HN    )  0.00  0.00  4.63
assign (resid  27 and name HB1   )(resid  28 and name HN    )  0.00  0.00  4.63
assign (resid  27 and name HB*   )(resid  28 and name HN    )  0.00  0.00  4.45
assign (resid  27 and name HG*   )(resid  28 and name HN    )  0.00  0.00  6.38
assign (resid  28 and name HN    )(resid  29 and name HA    )  0.00  0.00  5.50
assign (resid  28 and name HA    )(resid  29 and name HN    )  0.00  0.00  2.56
assign (resid  28 and name HB*   )(resid  29 and name HA    )  0.00  0.00  6.09
assign (resid  28 and name HB*   )(resid  29 and name HB2   )  0.00  0.00  6.53
assign (resid  28 and name HB*   )(resid  29 and name HB1   )  0.00  0.00  6.53
assign (resid  28 and name HB*   )(resid  29 and name HD1   )  0.00  0.00  3.92
assign (resid  29 and name HZ2   )(resid  30 and name HB    )  0.00  0.00  5.44
assign (resid  29 and name HZ2   )(resid  30 and name HG2*  )  0.00  0.00  5.10
assign (resid  30 and name HB    )(resid  31 and name HN    )  0.00  0.00  3.11
assign (resid  30 and name HG2*  )(resid  31 and name HN    )  0.00  0.00  5.38
assign (resid  31 and name HA    )(resid  32 and name HN    )  0.00  0.00  2.59
assign (resid  31 and name HB*   )(resid  32 and name HB*   )  0.00  0.00  6.82
assign (resid  31 and name HD*   )(resid  32 and name HN    )  0.00  0.00  7.64
assign (resid  31 and name HE*   )(resid  32 and name HB*   )  0.00  0.00  8.51
assign (resid  32 and name HB2   )(resid  33 and name HN    )  0.00  0.00  3.73
assign (resid  32 and name HB1   )(resid  33 and name HN    )  0.00  0.00  3.73
assign (resid  32 and name HB*   )(resid  33 and name HN    )  0.00  0.00  3.29
assign (resid  33 and name HN    )(resid  34 and name HN    )  0.00  0.00  2.99
assign (resid  33 and name HA    )(resid  34 and name HN    )  0.00  0.00  3.61
assign (resid  33 and name HB*   )(resid  34 and name HN    )  0.00  0.00  3.71
assign (resid  33 and name HG*   )(resid  34 and name HN    )  0.00  0.00  6.38
assign (resid  35 and name HA    )(resid  36 and name HN    )  0.00  0.00  3.24
assign (resid  35 and name HB2   )(resid  36 and name HN    )  0.00  0.00  4.04
assign (resid  35 and name HB1   )(resid  36 and name HN    )  0.00  0.00  4.04
assign (resid  35 and name HG2   )(resid  36 and name HN    )  0.00  0.00  5.50
assign (resid  35 and name HG1   )(resid  36 and name HN    )  0.00  0.00  5.50
assign (resid  35 and name HG*   )(resid  36 and name HN    )  0.00  0.00  5.32
assign (resid  36 and name HN    )(resid  37 and name HN    )  0.00  0.00  2.74
assign (resid  36 and name HN    )(resid  37 and name HE2*  )  0.00  0.00  5.53
assign (resid  36 and name HB2   )(resid  37 and name HE21  )  0.00  0.00  5.50
assign (resid  36 and name HB2   )(resid  37 and name HE22  )  0.00  0.00  5.50
assign (resid  36 and name HB1   )(resid  37 and name HE21  )  0.00  0.00  5.50
assign (resid  36 and name HB1   )(resid  37 and name HE22  )  0.00  0.00  5.50
assign (resid  36 and name HB*   )(resid  37 and name HG*   )  0.00  0.00  7.25
assign (resid  36 and name HB*   )(resid  37 and name HE2*  )  0.00  0.00  4.58
assign (resid  37 and name HN    )(resid  38 and name HN    )  0.00  0.00  4.60
assign (resid  37 and name HA    )(resid  38 and name HN    )  0.00  0.00  2.68
assign (resid  37 and name HG*   )(resid  38 and name HN    )  0.00  0.00  6.38
assign (resid  38 and name HA    )(resid  39 and name HN    )  0.00  0.00  2.71
assign (resid  38 and name HB*   )(resid  39 and name HN    )  0.00  0.00  4.14
assign (resid  39 and name HA    )(resid  40 and name HN    )  0.00  0.00  3.27
assign (resid  39 and name HB2   )(resid  40 and name HN    )  0.00  0.00  4.82
assign (resid  39 and name HB1   )(resid  40 and name HN    )  0.00  0.00  4.82
assign (resid  39 and name HB*   )(resid  40 and name HN    )  0.00  0.00  4.66
assign (resid  40 and name HA    )(resid  41 and name HN    )  0.00  0.00  2.65
assign (resid  40 and name HA    )(resid  41 and name HB*   )  0.00  0.00  5.51
assign (resid  40 and name HB*   )(resid  41 and name HN    )  0.00  0.00  4.70
assign (resid  41 and name HA    )(resid  42 and name HN    )  0.00  0.00  2.68
assign (resid  41 and name HB*   )(resid  42 and name HD*   )  0.00  0.00  8.52
! total in this range:    116
! range |i-j| =     2

assign (resid   1 and name HD*   )(resid   3 and name HN    )  0.00  0.00  6.53
assign (resid   8 and name HB*   )(resid  10 and name HN    )  0.00  0.00  5.16
assign (resid   8 and name HB*   )(resid  10 and name HE1   )  0.00  0.00  4.73
assign (resid   8 and name HB*   )(resid  10 and name HZ2   )  0.00  0.00  6.53
assign (resid  15 and name HG*   )(resid  17 and name HB*   )  0.00  0.00  6.58
assign (resid  18 and name HA    )(resid  20 and name HN    )  0.00  0.00  4.79
assign (resid  18 and name HB*   )(resid  20 and name HN    )  0.00  0.00  4.95
assign (resid  19 and name HN    )(resid  21 and name HN    )  0.00  0.00  4.48
assign (resid  19 and name HA    )(resid  21 and name HN    )  0.00  0.00  3.76
assign (resid  21 and name HB*   )(resid  23 and name HB*   )  0.00  0.00  6.82
assign (resid  21 and name HG*   )(resid  23 and name HN    )  0.00  0.00  6.38
assign (resid  22 and name HA    )(resid  24 and name HN    )  0.00  0.00  4.57
assign (resid  31 and name HD*   )(resid  33 and name HN    )  0.00  0.00  7.64
assign (resid  31 and name HD*   )(resid  33 and name HA    )  0.00  0.00  7.64
assign (resid  31 and name HE*   )(resid  33 and name HA    )  0.00  0.00  7.63
assign (resid  31 and name HE*   )(resid  33 and name HG*   )  0.00  0.00  8.51
assign (resid  32 and name HN    )(resid  34 and name HN    )  0.00  0.00  5.50
assign (resid  32 and name HB*   )(resid  34 and name HN    )  0.00  0.00  4.27
assign (resid  33 and name HN    )(resid  35 and name HE    )  0.00  0.00  5.50
assign (resid  34 and name HB*   )(resid  36 and name HN    )  0.00  0.00  5.35
assign (resid  35 and name HN    )(resid  37 and name HN    )  0.00  0.00  5.07
! total in this range:     21
! range |i-j| =     3

assign (resid   1 and name HG2*  )(resid   4 and name HD*   )  0.00  0.00  7.41
assign (resid   1 and name HD*   )(resid   4 and name HD*   )  0.00  0.00  8.65
assign (resid   8 and name HB*   )(resid  11 and name HB1   )  0.00  0.00  6.53
assign (resid  21 and name HB*   )(resid  24 and name HB*   )  0.00  0.00  7.25
assign (resid  27 and name HB*   )(resid  30 and name HG2*  )  0.00  0.00  6.57
assign (resid  34 and name HN    )(resid  37 and name HB*   )  0.00  0.00  6.00
assign (resid  34 and name HN    )(resid  37 and name HG*   )  0.00  0.00  6.38
assign (resid  34 and name HB*   )(resid  37 and name HG*   )  0.00  0.00  5.58
assign (resid  34 and name HD2*  )(resid  37 and name HG*   )  0.00  0.00  7.24
assign (resid  34 and name HB*   )(resid  37 and name HN    )  0.00  0.00  3.87
! hydrogen bond

assign (resid  37 and name HN    )(resid  34 and name O     )  2.20  0.20  0.00
! hydrogen bond

assign (resid  37 and name N     )(resid  34 and name O     )  3.20  0.30  0.00
! total in this range:     12
! range |i-j| =     4

assign (resid  17 and name HB*   )(resid  21 and name HG*   )  0.00  0.00  7.25
assign (resid  18 and name HN    )(resid  22 and name HD*   )  0.00  0.00  6.38
assign (resid  27 and name HE*   )(resid  31 and name HD*   )  0.00  0.00  7.68
assign (resid  27 and name HE*   )(resid  31 and name HE*   )  0.00  0.00  8.66
! total in this range:      4
! range |i-j| =     5

assign (resid  32 and name HB*   )(resid  37 and name HB*   )  0.00  0.00  5.67
! total in this range:      1
! range |i-j| =     9

assign (resid  30 and name HB    )(resid  39 and name HB*   )  0.00  0.00  5.54
assign (resid  30 and name HG2*  )(resid  39 and name HB*   )  0.00  0.00  7.40
! total in this range:      2
! range |i-j| =    10

assign (resid  28 and name HA    )(resid  38 and name HZ*   )  0.00  0.00  6.31
! total in this range:      1
! range |i-j| =    12

assign (resid  27 and name HB2   )(resid  39 and name HB2   )  0.00  0.00  7.25
assign (resid  27 and name HB2   )(resid  39 and name HB1   )  0.00  0.00  7.25
assign (resid  27 and name HB1   )(resid  39 and name HB2   )  0.00  0.00  7.25
assign (resid  27 and name HB1   )(resid  39 and name HB1   )  0.00  0.00  7.25
assign (resid  27 and name HB*   )(resid  39 and name HB*   )  0.00  0.00  6.32
! total in this range:      5
! range |i-j| =    13

assign (resid  27 and name HN    )(resid  40 and name HA    )  0.00  0.00  3.58
! total in this range:      1
! range |i-j| =    14

assign (resid  27 and name HN    )(resid  41 and name HN    )  0.00  0.00  4.45
assign (resid  27 and name HG*   )(resid  41 and name HN    )  0.00  0.00  5.82
! total in this range:      2
! range |i-j| =    15

assign (resid  25 and name HN    )(resid  40 and name HA    )  0.00  0.00  4.82
assign (resid  25 and name HN    )(resid  40 and name HB2   )  0.00  0.00  5.50
assign (resid  25 and name HN    )(resid  40 and name HB1   )  0.00  0.00  5.50
assign (resid  25 and name HN    )(resid  40 and name HB*   )  0.00  0.00  4.71
assign (resid  26 and name HA    )(resid  41 and name HN    )  0.00  0.00  4.72
assign (resid  26 and name HD*   )(resid  41 and name HA    )  0.00  0.00  6.38
! total in this range:      6
! range |i-j| =    16

assign (resid  16 and name HB2   )(resid  32 and name HB2   )  0.00  0.00  7.25
assign (resid  16 and name HB2   )(resid  32 and name HB1   )  0.00  0.00  7.25
assign (resid  16 and name HB1   )(resid  32 and name HB2   )  0.00  0.00  7.25
assign (resid  16 and name HB1   )(resid  32 and name HB1   )  0.00  0.00  7.25
assign (resid  16 and name HB*   )(resid  32 and name HN    )  0.00  0.00  5.42
assign (resid  16 and name HB*   )(resid  32 and name HB*   )  0.00  0.00  5.71
assign (resid  25 and name HN    )(resid  41 and name HN    )  0.00  0.00  3.64
assign (resid  25 and name HD*   )(resid  41 and name HN    )  0.00  0.00  6.38
! total in this range:     14
! range |i-j| =    17

assign (resid  21 and name HB*   )(resid  38 and name HE*   )  0.00  0.00  6.14
assign (resid  25 and name HB*   )(resid  42 and name HE*   )  0.00  0.00  8.51
! total in this range:      2
! range |i-j| =    18

assign (resid  12 and name HB2   )(resid  30 and name HG2*  )  0.00  0.00  6.53
assign (resid  12 and name HB1   )(resid  30 and name HG2*  )  0.00  0.00  6.53
assign (resid  12 and name HB*   )(resid  30 and name HG2*  )  0.00  0.00  6.13
assign (resid  12 and name HD2   )(resid  30 and name HG2*  )  0.00  0.00  5.54
assign (resid  19 and name HN    )(resid  37 and name HA    )  0.00  0.00  3.17
assign (resid  20 and name HA    )(resid  38 and name HE*   )  0.00  0.00  6.38
! total in this range:      6
! range |i-j| =    19

assign (resid  18 and name HN    )(resid  37 and name HG*   )  0.00  0.00  6.38
assign (resid  18 and name HN    )(resid  37 and name HE2*  )  0.00  0.00  6.37
assign (resid  18 and name HA    )(resid  37 and name HE2*  )  0.00  0.00  6.37
assign (resid  19 and name HN    )(resid  38 and name HN    )  0.00  0.00  3.79
assign (resid  19 and name HN    )(resid  38 and name HB*   )  0.00  0.00  5.94
assign (resid  19 and name HA    )(resid  38 and name HN    )  0.00  0.00  3.95
assign (resid  19 and name HA    )(resid  38 and name HG*   )  0.00  0.00  3.83
assign (resid  19 and name HA    )(resid  38 and name HE*   )  0.00  0.00  4.83
assign (resid  19 and name HA    )(resid  38 and name HZ*   )  0.00  0.00  6.31
! total in this range:      9
! range |i-j| =    20

assign (resid  18 and name HA    )(resid  38 and name HN    )  0.00  0.00  4.04
! total in this range:      1
! range |i-j| =    21

assign (resid   9 and name HA    )(resid  30 and name HB    )  0.00  0.00  4.48
assign (resid   9 and name HA    )(resid  30 and name HG2*  )  0.00  0.00  4.14
assign (resid  10 and name HH2   )(resid  31 and name HE*   )  0.00  0.00  7.63
assign (resid  16 and name HB*   )(resid  37 and name HB*   )  0.00  0.00  7.25
assign (resid  17 and name HN    )(resid  38 and name HN    )  0.00  0.00  3.33
! 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:      9
! range |i-j| =    22

assign (resid   9 and name HN    )(resid  31 and name HN    )  0.00  0.00  4.01
assign (resid  16 and name HA    )(resid  38 and name HN    )  0.00  0.00  4.23
! total in this range:      2
! range |i-j| =    23

assign (resid   6 and name HG2   )(resid  29 and name HE3   )  0.00  0.00  5.50
assign (resid   6 and name HG1   )(resid  29 and name HE3   )  0.00  0.00  5.50
assign (resid   6 and name HE*   )(resid  29 and name HA    )  0.00  0.00  5.50
assign (resid   6 and name HE*   )(resid  29 and name HE3   )  0.00  0.00  5.50
assign (resid   7 and name HG*   )(resid  30 and name HG2*  )  0.00  0.00  7.40
assign (resid   8 and name HN    )(resid  31 and name HE*   )  0.00  0.00  7.63
assign (resid   8 and name HB*   )(resid  31 and name HD*   )  0.00  0.00  8.67
assign (resid   8 and name HB*   )(resid  31 and name HE*   )  0.00  0.00  7.85
assign (resid  16 and name HB*   )(resid  39 and name HB*   )  0.00  0.00  6.11
assign (resid  17 and name HB*   )(resid  40 and name HN    )  0.00  0.00  6.13
assign (resid  17 and name HB*   )(resid  40 and name HB*   )  0.00  0.00  6.20
! total in this range:     11
! range |i-j| =    24

assign (resid   7 and name HN    )(resid  31 and name HD*   )  0.00  0.00  7.64
assign (resid   7 and name HA    )(resid  31 and name HE*   )  0.00  0.00  7.63
assign (resid  16 and name HA    )(resid  40 and name HN    )  0.00  0.00  3.70
! 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:      5
! range |i-j| =    25

assign (resid   6 and name HB2   )(resid  31 and name HD*   )  0.00  0.00  7.39
assign (resid   6 and name HB2   )(resid  31 and name HE*   )  0.00  0.00  7.63
assign (resid   6 and name HB1   )(resid  31 and name HD*   )  0.00  0.00  7.39
assign (resid   6 and name HB1   )(resid  31 and name HE*   )  0.00  0.00  7.63
assign (resid   6 and name HB*   )(resid  31 and name HD*   )  0.00  0.00  6.60
assign (resid   6 and name HG*   )(resid  31 and name HD*   )  0.00  0.00  8.52
assign (resid  15 and name HN    )(resid  40 and name HN    )  0.00  0.00  3.21
assign (resid  15 and name HN    )(resid  40 and name HB*   )  0.00  0.00  4.70
assign (resid  15 and name HB    )(resid  40 and name HN    )  0.00  0.00  5.50
assign (resid  15 and name HB    )(resid  40 and name HB*   )  0.00  0.00  6.38
assign (resid  15 and name HG1*  )(resid  40 and name HB2   )  0.00  0.00  9.65
assign (resid  15 and name HG1*  )(resid  40 and name HB1   )  0.00  0.00  9.65
assign (resid  15 and name HG2*  )(resid  40 and name HB2   )  0.00  0.00  9.65
assign (resid  15 and name HG2*  )(resid  40 and name HB1   )  0.00  0.00  9.65
assign (resid  15 and name HG*   )(resid  40 and name HB*   )  0.00  0.00  7.93
! 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
! 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
! total in this range:     19
! range |i-j| =    27
assign (resid  15 and name HB    )(resid  42 and name HD*   )  0.00  0.00  7.64
assign (resid  15 and name HG*   )(resid  42 and name HA    )  0.00  0.00  6.01
! total in this range:      2
! range |i-j| =    30
! total in this range:      3
! range |i-j| =    33

assign (resid   9 and name HB*   )(resid  42 and name HD*   )  0.00  0.00  6.59
assign (resid   9 and name HB*   )(resid  42 and name HE*   )  0.00  0.00  8.51
! total in this range:      2
! total constraints:      453

set echo=true endset wrnlev=5 end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ILE   1          1HT       ILE   1 -13.149  15.674  -0.248
    2   2H    ILE   1          2HT       ILE   1 -12.156  16.129   1.076
    3   3H    ILE   1          3HT       ILE   1 -12.737  14.518   0.948
    4    HA   ILE   1           HA       ILE   1 -10.351  15.084   0.291
    5    HB   ILE   1           HB       ILE   1 -10.522  13.378  -1.583
    6   1HG1  ILE   1          2HG1      ILE   1 -13.334  12.892  -0.713
    7   2HG1  ILE   1          1HG1      ILE   1 -13.046  14.168  -1.892
    8   1HG2  ILE   1          1HG2      ILE   1 -10.481  13.080   1.088
    9   2HG2  ILE   1          2HG2      ILE   1 -10.453  11.728  -0.044
   10   3HG2  ILE   1          3HG2      ILE   1 -11.972  12.218   0.707
   11   1HD1  ILE   1          1HD1      ILE   1 -12.908  12.675  -3.512
   12   2HD1  ILE   1          2HD1      ILE   1 -13.289  11.409  -2.343
   13   3HD1  ILE   1          3HD1      ILE   1 -11.608  11.831  -2.671
   14    H    MET   2           H        MET   2  -9.164  16.326  -0.995
   15    HA   MET   2           HA       MET   2 -10.324  17.273  -3.523
   16   1HB   MET   2          2HB       MET   2  -9.727  18.861  -1.233
   17   2HB   MET   2          1HB       MET   2  -8.580  19.282  -2.497
   18   1HG   MET   2          2HG       MET   2 -10.321  20.748  -2.863
   19   2HG   MET   2          1HG       MET   2 -10.646  19.456  -4.017
   20   1HE   MET   2          1HE       MET   2 -13.568  18.151  -3.711
   21   2HE   MET   2          2HE       MET   2 -12.604  19.331  -4.599
   22   3HE   MET   2          3HE       MET   2 -14.059  19.844  -3.747
   23    H    PHE   3           H        PHE   3  -8.423  15.128  -2.912
   24    HA   PHE   3           HA       PHE   3  -6.647  15.400  -4.984
   25   1HB   PHE   3          2HB       PHE   3  -4.479  15.673  -3.669
   26   2HB   PHE   3          1HB       PHE   3  -5.444  17.127  -3.898
   27    HD1  PHE   3           1HD      PHE   3  -4.445  14.541  -1.477
   28    HD2  PHE   3           2HD      PHE   3  -6.393  18.280  -2.053
   29    HE1  PHE   3           1HE      PHE   3  -4.461  14.903   0.957
   30    HE2  PHE   3           2HE      PHE   3  -6.411  18.650   0.380
   31    HZ   PHE   3           HZ       PHE   3  -5.445  16.959   1.888
   32    H    PHE   4           H        PHE   4  -7.164  14.103  -1.764
   33    HA   PHE   4           HA       PHE   4  -5.512  11.843  -1.951
   34   1HB   PHE   4          2HB       PHE   4  -7.403  12.891  -0.109
   35   2HB   PHE   4          1HB       PHE   4  -7.846  11.215  -0.415
   36    HD1  PHE   4           1HD      PHE   4  -5.705  13.402   1.380
   37    HD2  PHE   4           2HD      PHE   4  -5.987   9.459  -0.197
   38    HE1  PHE   4           1HE      PHE   4  -3.941  12.660   2.927
   39    HE2  PHE   4           2HE      PHE   4  -4.223   8.711   1.346
   40    HZ   PHE   4           HZ       PHE   4  -3.198  10.312   2.912
   41    H    GLU   5           H        GLU   5  -5.788  11.032  -4.077
   42    HA   GLU   5           HA       GLU   5  -8.013  10.330  -5.417
   43   1HB   GLU   5          2HB       GLU   5  -5.245   9.479  -5.413
   44   2HB   GLU   5          1HB       GLU   5  -6.317   8.161  -5.867
   45   1HG   GLU   5          2HG       GLU   5  -7.258   9.483  -7.650
   46   2HG   GLU   5          1HG       GLU   5  -6.302  10.880  -7.156
   47    H    MET   6           H        MET   6  -6.227   7.782  -3.704
   48    HA   MET   6           HA       MET   6  -8.673   6.262  -3.387
   49   1HB   MET   6          2HB       MET   6  -5.944   5.518  -2.344
   50   2HB   MET   6          1HB       MET   6  -7.288   4.449  -2.718
   51   1HG   MET   6          2HG       MET   6  -7.031   5.183  -5.122
   52   2HG   MET   6          1HG       MET   6  -5.511   5.927  -4.630
   53   1HE   MET   6          1HE       MET   6  -3.896   4.792  -3.213
   54   2HE   MET   6          2HE       MET   6  -3.057   4.064  -4.583
   55   3HE   MET   6          3HE       MET   6  -3.516   3.069  -3.201
   56    H    GLN   7           H        GLN   7  -8.171   4.923  -0.999
   57    HA   GLN   7           HA       GLN   7  -7.562   6.359   1.233
   58   1HB   GLN   7          2HB       GLN   7  -9.877   7.441   0.064
   59   2HB   GLN   7          1HB       GLN   7 -10.437   6.520   1.452
   60   1HG   GLN   7          2HG       GLN   7  -8.111   8.150   2.056
   61   2HG   GLN   7          1HG       GLN   7  -9.481   9.097   1.480
   62   1HE2  GLN   7          1HE2      GLN   7 -10.056  10.039   3.366
   63   2HE2  GLN   7          2HE2      GLN   7 -10.627   9.173   4.748
   64    H    ALA   8           H        ALA   8  -8.790   5.504   3.249
   65    HA   ALA   8           HA       ALA   8  -8.536   2.720   3.299
   66   1HB   ALA   8          1HB       ALA   8  -9.741   2.909   5.517
   67   2HB   ALA   8          2HB       ALA   8  -9.871   4.638   5.192
   68   3HB   ALA   8          3HB       ALA   8  -8.284   3.885   5.337
   69    H    CYS   9           H        CYS   9 -10.442   1.343   4.272
   70    HA   CYS   9           HA       CYS   9 -12.732   1.690   2.454
   71   1HB   CYS   9          2HB       CYS   9 -13.027  -0.734   2.559
   72   2HB   CYS   9          1HB       CYS   9 -11.397  -0.333   2.028
   73    H    TRP  10           H        TRP  10 -12.429   2.904   5.104
   74    HA   TRP  10           HA       TRP  10 -13.790   1.600   7.121
   75   1HB   TRP  10          2HB       TRP  10 -13.684   4.541   6.446
   76   2HB   TRP  10          1HB       TRP  10 -14.376   3.910   7.937
   77    HD1  TRP  10           HD       TRP  10 -12.275   1.876   8.899
   78    HE1  TRP  10           1HE      TRP  10  -9.901   2.607   9.573
   79    HE3  TRP  10           3HE      TRP  10 -12.046   6.318   6.377
   80    HZ2  TRP  10           2HZ      TRP  10  -8.161   4.779   9.097
   81    HZ3  TRP  10           3HZ      TRP  10  -9.991   7.661   6.539
   82    HH2  TRP  10           HH       TRP  10  -8.090   6.907   7.873
   83    H    SER  11           H        SER  11 -15.027   3.225   4.286
   84    HA   SER  11           HA       SER  11 -17.782   2.894   5.217
   85   1HB   SER  11          2HB       SER  11 -17.096   5.070   4.221
   86   2HB   SER  11          1HB       SER  11 -16.770   4.239   2.700
   87    HG   SER  11           HG       SER  11 -19.006   3.587   2.736
   88    H    HIS  12           H        HIS  12 -15.920   2.245   2.240
   89    HA   HIS  12           HA       HIS  12 -17.799   0.576   1.032
   90   1HB   HIS  12          2HB       HIS  12 -15.547   1.615   0.147
   91   2HB   HIS  12          1HB       HIS  12 -14.876   0.066   0.645
   92    HD1  HIS  12           1HD      HIS  12 -16.133  -2.084  -0.477
   93    HD2  HIS  12           2HD      HIS  12 -16.663   1.599  -2.326
   94    HE1  HIS  12           1HE      HIS  12 -16.950  -2.608  -2.798
   95    HE2  HIS  12           2HE      HIS  12 -17.182  -0.367  -3.925
   96    H    SER  13           H        SER  13 -15.524  -0.057   3.576
   97    HA   SER  13           HA       SER  13 -15.164  -1.868   4.901
   98   1HB   SER  13          2HB       SER  13 -17.848  -1.855   4.501
   99   2HB   SER  13          1HB       SER  13 -17.439  -3.443   3.853
  100    HG   SER  13           HG       SER  13 -17.905  -3.209   6.219
  101    H    GLY  14           H        GLY  14 -14.612  -4.211   4.860
  102   1HA   GLY  14          2HA       GLY  14 -14.528  -5.872   2.691
  103   2HA   GLY  14          1HA       GLY  14 -13.156  -4.800   2.457
  104    H    VAL  15           H        VAL  15 -12.510  -7.343   2.644
  105    HA   VAL  15           HA       VAL  15 -11.922  -8.018   5.418
  106    HB   VAL  15           HB       VAL  15 -11.197  -9.586   2.943
  107   1HG1  VAL  15          1HG1      VAL  15 -11.641 -10.696   5.687
  108   2HG1  VAL  15          2HG1      VAL  15 -10.085  -9.992   5.243
  109   3HG1  VAL  15          3HG1      VAL  15 -10.718 -11.371   4.344
  110   1HG2  VAL  15          1HG2      VAL  15 -13.480  -9.605   2.749
  111   2HG2  VAL  15          2HG2      VAL  15 -13.739  -9.412   4.483
  112   3HG2  VAL  15          3HG2      VAL  15 -13.243 -10.975   3.835
  113    H    CYS  16           H        CYS  16 -10.232  -6.936   6.232
  114    HA   CYS  16           HA       CYS  16  -7.974  -6.176   4.618
  115   1HB   CYS  16          2HB       CYS  16  -8.760  -4.729   6.436
  116   2HB   CYS  16          1HB       CYS  16  -8.402  -5.993   7.607
  117    H    ARG  17           H        ARG  17  -6.898  -7.967   3.899
  118    HA   ARG  17           HA       ARG  17  -5.614  -9.609   5.979
  119   1HB   ARG  17          2HB       ARG  17  -7.512 -10.590   4.296
  120   2HB   ARG  17          1HB       ARG  17  -6.055 -10.903   3.364
  121   1HG   ARG  17          2HG       ARG  17  -5.760 -12.742   4.558
  122   2HG   ARG  17          1HG       ARG  17  -5.458 -11.726   5.965
  123   1HD   ARG  17          2HD       ARG  17  -7.327 -12.448   6.920
  124   2HD   ARG  17          1HD       ARG  17  -8.274 -11.892   5.542
  125    HE   ARG  17           HE       ARG  17  -7.278 -14.232   4.661
  126   1HH1  ARG  17          1HH1      ARG  17  -8.959 -13.346   7.589
  127   2HH1  ARG  17          2HH1      ARG  17  -9.685 -14.905   7.792
  128   1HH2  ARG  17          1HH2      ARG  17  -8.233 -16.282   4.926
  129   2HH2  ARG  17          2HH2      ARG  17  -9.272 -16.572   6.281
  130    H    ASP  18           H        ASP  18  -3.988 -11.118   4.273
  131    HA   ASP  18           HA       ASP  18  -1.903  -9.227   3.765
  132   1HB   ASP  18          2HB       ASP  18  -2.099 -12.197   3.238
  133   2HB   ASP  18          1HB       ASP  18  -0.641 -11.245   2.975
  134    H    LYS  19           H        LYS  19  -1.126  -8.457   1.865
  135    HA   LYS  19           HA       LYS  19  -2.781  -8.120  -0.321
  136   1HB   LYS  19          2HB       LYS  19   0.155  -7.838   0.113
  137   2HB   LYS  19          1HB       LYS  19  -0.462  -7.739  -1.532
  138   1HG   LYS  19          2HG       LYS  19  -2.103  -6.123   0.115
  139   2HG   LYS  19          1HG       LYS  19  -0.421  -5.738   0.471
  140   1HD   LYS  19          2HD       LYS  19  -0.387  -5.876  -2.251
  141   2HD   LYS  19          1HD       LYS  19  -2.002  -5.232  -1.948
  142   1HE   LYS  19          2HE       LYS  19   0.634  -4.087  -1.045
  143   2HE   LYS  19          1HE       LYS  19  -0.504  -3.385  -2.195
  144   1HZ   LYS  19          1HZ       LYS  19  -2.126  -3.261  -0.336
  145   2HZ   LYS  19          2HZ       LYS  19  -0.767  -2.278  -0.124
  146   3HZ   LYS  19          3HZ       LYS  19  -0.897  -3.736   0.725
  147    H    SER  20           H        SER  20  -0.623 -10.737   0.423
  148    HA   SER  20           HA       SER  20  -1.099 -11.938  -2.215
  149   1HB   SER  20          2HB       SER  20   1.266 -11.669  -1.121
  150   2HB   SER  20          1HB       SER  20   0.793 -13.092  -0.193
  151    HG   SER  20           HG       SER  20   0.620 -14.252  -2.064
  152    H    GLU  21           H        GLU  21  -3.154 -11.861  -0.193
  153    HA   GLU  21           HA       GLU  21  -3.362 -14.299   1.187
  154   1HB   GLU  21          2HB       GLU  21  -4.679 -12.183   1.634
  155   2HB   GLU  21          1HB       GLU  21  -5.664 -12.594   0.238
  156   1HG   GLU  21          2HG       GLU  21  -5.857 -14.895   1.563
  157   2HG   GLU  21          1HG       GLU  21  -5.571 -13.816   2.926
  158    H    ARG  22           H        ARG  22  -4.081 -16.210   0.610
  159    HA   ARG  22           HA       ARG  22  -4.566 -16.731  -2.201
  160   1HB   ARG  22          2HB       ARG  22  -4.648 -18.869  -0.114
  161   2HB   ARG  22          1HB       ARG  22  -4.077 -18.957  -1.773
  162   1HG   ARG  22          2HG       ARG  22  -2.072 -18.997  -0.737
  163   2HG   ARG  22          1HG       ARG  22  -2.273 -17.245  -0.815
  164   1HD   ARG  22          2HD       ARG  22  -2.192 -17.123   1.400
  165   2HD   ARG  22          1HD       ARG  22  -3.594 -18.187   1.521
  166    HE   ARG  22           HE       ARG  22  -1.270 -19.714   1.048
  167   1HH1  ARG  22          1HH1      ARG  22  -2.829 -17.850   3.553
  168   2HH1  ARG  22          2HH1      ARG  22  -2.116 -18.755   4.845
  169   1HH2  ARG  22          1HH2      ARG  22  -0.330 -20.907   2.748
  170   2HH2  ARG  22          2HH2      ARG  22  -0.696 -20.490   4.388
  171    H    ASN  23           H        ASN  23  -6.560 -15.511  -0.151
  172    HA   ASN  23           HA       ASN  23  -8.865 -16.911  -1.215
  173   1HB   ASN  23          2HB       ASN  23  -7.984 -17.700   1.234
  174   2HB   ASN  23          1HB       ASN  23  -9.075 -16.395   1.685
  175   1HD2  ASN  23          1HD2      ASN  23  -8.788 -19.595   0.522
  176   2HD2  ASN  23          2HD2      ASN  23 -10.476 -19.953   0.418
  177    H    CYS  24           H        CYS  24  -7.785 -14.358  -1.741
  178    HA   CYS  24           HA       CYS  24  -9.404 -12.441  -0.281
  179   1HB   CYS  24          2HB       CYS  24  -6.914 -12.321  -1.433
  180   2HB   CYS  24          1HB       CYS  24  -7.911 -11.487  -2.616
  181    H    LYS  25           H        LYS  25 -10.847 -10.973  -1.332
  182    HA   LYS  25           HA       LYS  25 -12.173 -12.174  -3.664
  183   1HB   LYS  25          2HB       LYS  25 -13.155 -11.192  -1.192
  184   2HB   LYS  25          1HB       LYS  25 -13.736 -10.103  -2.444
  185   1HG   LYS  25          2HG       LYS  25 -15.312 -11.552  -2.988
  186   2HG   LYS  25          1HG       LYS  25 -14.085 -12.761  -3.370
  187   1HD   LYS  25          2HD       LYS  25 -14.731 -12.329  -0.508
  188   2HD   LYS  25          1HD       LYS  25 -15.942 -13.146  -1.498
  189   1HE   LYS  25          2HE       LYS  25 -14.663 -14.995  -1.775
  190   2HE   LYS  25          1HE       LYS  25 -13.157 -14.078  -1.804
  191   1HZ   LYS  25          1HZ       LYS  25 -14.560 -14.155   0.741
  192   2HZ   LYS  25          2HZ       LYS  25 -12.904 -14.254   0.414
  193   3HZ   LYS  25          3HZ       LYS  25 -13.884 -15.619   0.227
  194    HA   PRO  26           HA       PRO  26 -11.677  -8.730  -6.373
  195   1HB   PRO  26          2HB       PRO  26 -14.499  -7.849  -6.153
  196   2HB   PRO  26          1HB       PRO  26 -13.582  -8.346  -7.578
  197   1HG   PRO  26          2HG       PRO  26 -15.445  -9.938  -6.518
  198   2HG   PRO  26          1HG       PRO  26 -13.941 -10.601  -7.187
  199   1HD   PRO  26          2HD       PRO  26 -14.713 -10.158  -4.329
  200   2HD   PRO  26          1HD       PRO  26 -13.830 -11.513  -5.062
  201    H    MET  27           H        MET  27 -10.443  -7.674  -4.602
  202    HA   MET  27           HA       MET  27 -11.487  -5.810  -2.827
  203   1HB   MET  27          2HB       MET  27  -9.254  -4.926  -2.642
  204   2HB   MET  27          1HB       MET  27  -9.154  -6.673  -2.807
  205   1HG   MET  27          2HG       MET  27  -7.667  -6.324  -4.409
  206   2HG   MET  27          1HG       MET  27  -9.003  -5.759  -5.409
  207   1HE   MET  27          1HE       MET  27  -8.198  -3.867  -6.890
  208   2HE   MET  27          2HE       MET  27  -8.173  -2.257  -6.170
  209   3HE   MET  27          3HE       MET  27  -9.560  -3.317  -5.914
  210    H    ALA  28           H        ALA  28 -11.180  -3.426  -2.900
  211    HA   ALA  28           HA       ALA  28 -11.694  -2.358  -5.595
  212   1HB   ALA  28          1HB       ALA  28 -13.013  -1.434  -3.045
  213   2HB   ALA  28          2HB       ALA  28 -13.764  -2.467  -4.261
  214   3HB   ALA  28          3HB       ALA  28 -13.310  -0.812  -4.669
  215    H    TRP  29           H        TRP  29 -11.557   0.194  -5.432
  216    HA   TRP  29           HA       TRP  29  -8.941   0.918  -5.196
  217   1HB   TRP  29          2HB       TRP  29  -9.690   3.244  -5.184
  218   2HB   TRP  29          1HB       TRP  29 -10.652   2.291  -6.308
  219    HD1  TRP  29           HD       TRP  29 -13.231   2.036  -5.806
  220    HE1  TRP  29           1HE      TRP  29 -14.818   3.186  -4.138
  221    HE3  TRP  29           3HE      TRP  29  -9.758   4.228  -2.761
  222    HZ2  TRP  29           2HZ      TRP  29 -14.623   4.808  -1.836
  223    HZ3  TRP  29           3HZ      TRP  29 -10.542   5.563  -0.848
  224    HH2  TRP  29           HH       TRP  29 -12.925   5.846  -0.397
  225    H    THR  30           H        THR  30 -11.322   0.709  -2.662
  226    HA   THR  30           HA       THR  30  -9.979   2.236  -0.704
  227    HB   THR  30           HB       THR  30 -11.494   1.277   0.874
  228    HG1  THR  30           1HG      THR  30 -11.778  -0.790  -1.031
  229   1HG2  THR  30          1HG2      THR  30 -13.151   1.113  -1.599
  230   2HG2  THR  30          2HG2      THR  30 -12.474   2.656  -1.078
  231   3HG2  THR  30          3HG2      THR  30 -13.561   1.764  -0.012
  232    H    TYR  31           H        TYR  31  -8.764   1.542   1.112
  233    HA   TYR  31           HA       TYR  31  -7.576  -1.133   0.923
  234   1HB   TYR  31          2HB       TYR  31  -5.334  -0.110   1.426
  235   2HB   TYR  31          1HB       TYR  31  -5.961   0.246  -0.180
  236    HD1  TYR  31           1HD      TYR  31  -5.462   1.651   3.209
  237    HD2  TYR  31           2HD      TYR  31  -6.350   2.478  -0.869
  238    HE1  TYR  31           1HE      TYR  31  -5.175   4.054   3.640
  239    HE2  TYR  31           2HE      TYR  31  -6.065   4.884  -0.450
  240    HH   TYR  31           HH       TYR  31  -4.546   6.129   2.161
  241    H    CYS  32           H        CYS  32  -5.953  -1.294   2.945
  242    HA   CYS  32           HA       CYS  32  -7.664  -0.865   5.258
  243   1HB   CYS  32          2HB       CYS  32  -6.317  -3.033   4.600
  244   2HB   CYS  32          1HB       CYS  32  -4.996  -2.210   5.422
  245    H    GLU  33           H        GLU  33  -4.149  -0.538   4.731
  246    HA   GLU  33           HA       GLU  33  -3.933   2.153   5.405
  247   1HB   GLU  33          2HB       GLU  33  -4.664   0.796   7.650
  248   2HB   GLU  33          1HB       GLU  33  -2.912   0.722   7.778
  249   1HG   GLU  33          2HG       GLU  33  -2.697   2.969   8.081
  250   2HG   GLU  33          1HG       GLU  33  -4.155   3.346   7.166
  251    H    ASN  34           H        ASN  34  -2.274  -0.890   6.249
  252    HA   ASN  34           HA       ASN  34   0.265   0.241   5.389
  253   1HB   ASN  34          2HB       ASN  34   0.025  -1.154   7.483
  254   2HB   ASN  34          1HB       ASN  34  -0.256  -2.543   6.439
  255   1HD2  ASN  34          1HD2      ASN  34   2.010  -1.052   8.207
  256   2HD2  ASN  34          2HD2      ASN  34   3.435  -1.541   7.362
  257    H    ARG  35           H        ARG  35   1.577  -0.684   3.767
  258    HA   ARG  35           HA       ARG  35   0.172  -1.554   1.480
  259   1HB   ARG  35          2HB       ARG  35   3.090  -1.299   2.146
  260   2HB   ARG  35          1HB       ARG  35   2.530  -1.862   0.583
  261   1HG   ARG  35          2HG       ARG  35   1.583   0.736   1.718
  262   2HG   ARG  35          1HG       ARG  35   3.113   0.615   0.849
  263   1HD   ARG  35          2HD       ARG  35   1.631   1.204  -0.830
  264   2HD   ARG  35          1HD       ARG  35   1.694  -0.551  -0.980
  265    HE   ARG  35           HE       ARG  35  -0.405   0.215   0.756
  266   1HH1  ARG  35          1HH1      ARG  35   0.463   0.153  -2.624
  267   2HH1  ARG  35          2HH1      ARG  35  -1.177   0.054  -3.171
  268   1HH2  ARG  35          1HH2      ARG  35  -2.562   0.085   0.038
  269   2HH2  ARG  35          2HH2      ARG  35  -2.895   0.015  -1.660
  270    H    ASN  36           H        ASN  36   1.169  -3.256   4.151
  271    HA   ASN  36           HA       ASN  36   1.754  -5.730   2.747
  272   1HB   ASN  36          2HB       ASN  36   2.973  -4.996   4.847
  273   2HB   ASN  36          1HB       ASN  36   1.488  -5.339   5.729
  274   1HD2  ASN  36          1HD2      ASN  36   3.597  -6.881   3.326
  275   2HD2  ASN  36          2HD2      ASN  36   3.571  -8.446   4.058
  276    H    GLN  37           H        GLN  37  -0.931  -4.121   4.156
  277    HA   GLN  37           HA       GLN  37  -2.530  -6.578   3.879
  278   1HB   GLN  37          2HB       GLN  37  -3.164  -4.387   5.847
  279   2HB   GLN  37          1HB       GLN  37  -3.855  -6.002   5.763
  280   1HG   GLN  37          2HG       GLN  37  -0.969  -5.454   6.404
  281   2HG   GLN  37          1HG       GLN  37  -2.231  -5.633   7.622
  282   1HE2  GLN  37          1HE2      GLN  37   0.235  -7.216   6.583
  283   2HE2  GLN  37          2HE2      GLN  37  -0.350  -8.841   6.543
  284    H    LYS  38           H        LYS  38  -4.266  -6.438   2.588
  285    HA   LYS  38           HA       LYS  38  -5.073  -3.754   1.674
  286   1HB   LYS  38          2HB       LYS  38  -5.604  -4.695  -0.482
  287   2HB   LYS  38          1HB       LYS  38  -3.953  -5.131  -0.063
  288   1HG   LYS  38          2HG       LYS  38  -4.468  -7.353   0.231
  289   2HG   LYS  38          1HG       LYS  38  -6.170  -7.026   0.563
  290   1HD   LYS  38          2HD       LYS  38  -5.894  -8.074  -1.622
  291   2HD   LYS  38          1HD       LYS  38  -6.515  -6.431  -1.785
  292   1HE   LYS  38          2HE       LYS  38  -3.851  -5.978  -1.916
  293   2HE   LYS  38          1HE       LYS  38  -3.944  -7.583  -2.640
  294   1HZ   LYS  38          1HZ       LYS  38  -5.920  -5.692  -3.591
  295   2HZ   LYS  38          2HZ       LYS  38  -4.969  -6.792  -4.455
  296   3HZ   LYS  38          3HZ       LYS  38  -4.321  -5.303  -3.984
  297    H    CYS  39           H        CYS  39  -7.296  -3.421   1.179
  298    HA   CYS  39           HA       CYS  39  -9.066  -5.053   2.841
  299   1HB   CYS  39          2HB       CYS  39  -8.926  -2.491   2.997
  300   2HB   CYS  39          1HB       CYS  39  -9.807  -2.472   1.473
  301    H    CYS  40           H        CYS  40  -9.523  -6.826   1.588
  302    HA   CYS  40           HA       CYS  40 -10.272  -6.607  -1.167
  303   1HB   CYS  40          2HB       CYS  40  -9.725  -8.717   0.764
  304   2HB   CYS  40          1HB       CYS  40 -11.086  -9.104  -0.275
  305    H    GLU  41           H        GLU  41 -12.382  -7.917  -1.773
  306    HA   GLU  41           HA       GLU  41 -14.565  -6.340  -0.842
  307   1HB   GLU  41          2HB       GLU  41 -14.050  -7.767  -3.122
  308   2HB   GLU  41          1HB       GLU  41 -15.231  -8.791  -2.319
  309   1HG   GLU  41          2HG       GLU  41 -16.395  -6.363  -2.054
  310   2HG   GLU  41          1HG       GLU  41 -15.554  -6.172  -3.592
  311    H    TYR  42           H        TYR  42 -15.605  -6.648   1.004
  312    HA   TYR  42           HA       TYR  42 -15.366  -8.461   2.886
  313   1HB   TYR  42          2HB       TYR  42 -17.797  -8.042   3.476
  314   2HB   TYR  42          1HB       TYR  42 -16.781  -6.618   3.296
  315    HD1  TYR  42           1HD      TYR  42 -17.363  -4.926   1.780
  316    HD2  TYR  42           2HD      TYR  42 -19.275  -8.717   1.511
  317    HE1  TYR  42           1HE      TYR  42 -18.940  -4.007   0.133
  318    HE2  TYR  42           2HE      TYR  42 -20.857  -7.808  -0.137
  319    HH   TYR  42           HH       TYR  42 -21.767  -5.643  -0.818
  Start of MODEL    2
    1   1H    ILE   1          1HT       ILE   1  -0.253   7.769 -13.113
    2   2H    ILE   1          2HT       ILE   1   0.092   9.428 -12.845
    3   3H    ILE   1          3HT       ILE   1  -1.209   8.974 -13.869
    4    HA   ILE   1           HA       ILE   1  -2.492   8.240 -12.149
    5    HB   ILE   1           HB       ILE   1  -1.558   8.173  -9.792
    6   1HG1  ILE   1          2HG1      ILE   1   1.148   7.673 -10.849
    7   2HG1  ILE   1          1HG1      ILE   1   0.636   9.357 -10.903
    8   1HG2  ILE   1          1HG2      ILE   1  -2.054   6.165 -11.106
    9   2HG2  ILE   1          2HG2      ILE   1  -0.655   5.931 -10.057
   10   3HG2  ILE   1          3HG2      ILE   1  -0.426   6.212 -11.784
   11   1HD1  ILE   1          1HD1      ILE   1   0.406   9.476  -8.583
   12   2HD1  ILE   1          2HD1      ILE   1   1.894   8.564  -8.840
   13   3HD1  ILE   1          3HD1      ILE   1   0.406   7.722  -8.404
   14    H    MET   2           H        MET   2  -3.672  10.070 -12.312
   15    HA   MET   2           HA       MET   2  -3.055  12.217 -10.461
   16   1HB   MET   2          2HB       MET   2  -3.115  12.568 -13.442
   17   2HB   MET   2          1HB       MET   2  -3.588  13.889 -12.382
   18   1HG   MET   2          2HG       MET   2  -1.423  13.905 -11.346
   19   2HG   MET   2          1HG       MET   2  -0.940  12.468 -12.247
   20   1HE   MET   2          1HE       MET   2  -0.232  16.327 -12.372
   21   2HE   MET   2          2HE       MET   2  -1.962  16.025 -12.204
   22   3HE   MET   2          3HE       MET   2  -1.334  16.759 -13.679
   23    H    PHE   3           H        PHE   3  -4.850  13.188  -9.659
   24    HA   PHE   3           HA       PHE   3  -7.044  13.522  -9.163
   25   1HB   PHE   3          2HB       PHE   3  -6.901  14.410 -11.589
   26   2HB   PHE   3          1HB       PHE   3  -7.729  12.921 -12.031
   27    HD1  PHE   3           1HD      PHE   3  -8.186  15.160  -9.093
   28    HD2  PHE   3           2HD      PHE   3  -9.871  13.522 -12.640
   29    HE1  PHE   3           1HE      PHE   3 -10.345  16.204  -8.544
   30    HE2  PHE   3           2HE      PHE   3 -12.034  14.562 -12.096
   31    HZ   PHE   3           HZ       PHE   3 -12.273  15.905 -10.046
   32    H    PHE   4           H        PHE   4  -6.538  11.303  -8.140
   33    HA   PHE   4           HA       PHE   4  -8.504   9.355  -9.153
   34   1HB   PHE   4          2HB       PHE   4  -5.701   9.014  -8.375
   35   2HB   PHE   4          1HB       PHE   4  -6.785   7.877  -7.579
   36    HD1  PHE   4           1HD      PHE   4  -6.528   5.836  -8.610
   37    HD2  PHE   4           2HD      PHE   4  -6.840   9.339 -11.007
   38    HE1  PHE   4           1HE      PHE   4  -6.553   4.443 -10.637
   39    HE2  PHE   4           2HE      PHE   4  -6.867   7.951 -13.038
   40    HZ   PHE   4           HZ       PHE   4  -6.724   5.499 -12.855
   41    H    GLU   5           H        GLU   5  -6.966  10.756  -6.296
   42    HA   GLU   5           HA       GLU   5  -7.627  10.939  -4.129
   43   1HB   GLU   5          2HB       GLU   5  -9.446  12.220  -5.034
   44   2HB   GLU   5          1HB       GLU   5 -10.315  10.762  -5.489
   45   1HG   GLU   5          2HG       GLU   5 -10.494  10.204  -3.064
   46   2HG   GLU   5          1HG       GLU   5  -9.796  11.784  -2.707
   47    H    MET   6           H        MET   6  -6.795   9.100  -3.221
   48    HA   MET   6           HA       MET   6  -8.457   6.685  -3.235
   49   1HB   MET   6          2HB       MET   6  -5.570   7.110  -2.453
   50   2HB   MET   6          1HB       MET   6  -6.417   5.577  -2.301
   51   1HG   MET   6          2HG       MET   6  -6.538   6.815  -4.961
   52   2HG   MET   6          1HG       MET   6  -4.935   6.304  -4.435
   53   1HE   MET   6          1HE       MET   6  -8.341   4.548  -6.106
   54   2HE   MET   6          2HE       MET   6  -6.933   3.977  -7.001
   55   3HE   MET   6          3HE       MET   6  -7.107   5.693  -6.634
   56    H    GLN   7           H        GLN   7  -8.174   5.395  -1.070
   57    HA   GLN   7           HA       GLN   7  -7.789   6.606   1.356
   58   1HB   GLN   7          2HB       GLN   7  -9.988   7.774   0.241
   59   2HB   GLN   7          1HB       GLN   7 -10.724   6.472   1.164
   60   1HG   GLN   7          2HG       GLN   7 -10.591   8.596   2.401
   61   2HG   GLN   7          1HG       GLN   7  -9.740   7.272   3.195
   62   1HE2  GLN   7          1HE2      GLN   7  -9.467  10.347   1.679
   63   2HE2  GLN   7          2HE2      GLN   7  -7.787  10.596   1.990
   64    H    ALA   8           H        ALA   8  -8.980   5.403   3.181
   65    HA   ALA   8           HA       ALA   8  -8.582   2.625   2.774
   66   1HB   ALA   8          1HB       ALA   8  -9.967   2.803   5.138
   67   2HB   ALA   8          2HB       ALA   8  -9.206   4.390   5.009
   68   3HB   ALA   8          3HB       ALA   8  -8.217   2.931   4.958
   69    H    CYS   9           H        CYS   9 -10.521   1.252   4.006
   70    HA   CYS   9           HA       CYS   9 -12.908   1.741   2.347
   71   1HB   CYS   9          2HB       CYS   9 -13.250  -0.678   2.281
   72   2HB   CYS   9          1HB       CYS   9 -11.660  -0.262   1.651
   73    H    TRP  10           H        TRP  10 -12.262   2.623   5.133
   74    HA   TRP  10           HA       TRP  10 -13.626   1.148   7.042
   75   1HB   TRP  10          2HB       TRP  10 -13.538   4.160   7.011
   76   2HB   TRP  10          1HB       TRP  10 -13.585   3.092   8.410
   77    HD1  TRP  10           HD       TRP  10 -11.269   5.350   7.224
   78    HE1  TRP  10           1HE      TRP  10  -8.821   4.590   7.447
   79    HE3  TRP  10           3HE      TRP  10 -12.026   0.329   7.842
   80    HZ2  TRP  10           2HZ      TRP  10  -7.398   2.183   7.832
   81    HZ3  TRP  10           3HZ      TRP  10 -10.068  -1.131   8.130
   82    HH2  TRP  10           HH       TRP  10  -7.803  -0.222   8.124
   83    H    SER  11           H        SER  11 -14.823   3.214   4.525
   84    HA   SER  11           HA       SER  11 -17.497   3.317   5.664
   85   1HB   SER  11          2HB       SER  11 -16.901   5.346   4.620
   86   2HB   SER  11          1HB       SER  11 -16.223   4.523   3.215
   87    HG   SER  11           HG       SER  11 -18.972   4.500   3.920
   88    H    HIS  12           H        HIS  12 -15.729   1.674   3.128
   89    HA   HIS  12           HA       HIS  12 -18.085   0.518   1.940
   90   1HB   HIS  12          2HB       HIS  12 -15.413   0.868   1.160
   91   2HB   HIS  12          1HB       HIS  12 -15.633  -0.874   1.282
   92    HD1  HIS  12           1HD      HIS  12 -18.768  -0.511   0.363
   93    HD2  HIS  12           2HD      HIS  12 -15.324   0.641  -1.655
   94    HE1  HIS  12           1HE      HIS  12 -19.424  -0.374  -2.061
   95    HE2  HIS  12           2HE      HIS  12 -17.305   0.252  -3.272
   96    H    SER  13           H        SER  13 -15.757  -0.367   4.377
   97    HA   SER  13           HA       SER  13 -15.643  -2.108   5.834
   98   1HB   SER  13          2HB       SER  13 -18.446  -2.845   4.988
   99   2HB   SER  13          1HB       SER  13 -17.668  -3.138   6.543
  100    HG   SER  13           HG       SER  13 -19.206  -1.191   6.089
  101    H    GLY  14           H        GLY  14 -14.058  -3.131   4.517
  102   1HA   GLY  14          2HA       GLY  14 -15.087  -5.421   2.958
  103   2HA   GLY  14          1HA       GLY  14 -13.568  -4.603   2.623
  104    H    VAL  15           H        VAL  15 -12.264  -6.392   2.813
  105    HA   VAL  15           HA       VAL  15 -11.978  -7.443   5.546
  106    HB   VAL  15           HB       VAL  15 -11.632  -9.123   3.062
  107   1HG1  VAL  15          1HG1      VAL  15 -11.245  -9.548   5.963
  108   2HG1  VAL  15          2HG1      VAL  15 -10.398 -10.255   4.588
  109   3HG1  VAL  15          3HG1      VAL  15 -11.983 -10.869   5.057
  110   1HG2  VAL  15          1HG2      VAL  15 -13.921  -8.839   3.064
  111   2HG2  VAL  15          2HG2      VAL  15 -14.006  -8.676   4.818
  112   3HG2  VAL  15          3HG2      VAL  15 -13.743 -10.261   4.091
  113    H    CYS  16           H        CYS  16 -10.136  -6.447   6.156
  114    HA   CYS  16           HA       CYS  16  -7.934  -6.066   4.340
  115   1HB   CYS  16          2HB       CYS  16  -8.411  -4.390   6.053
  116   2HB   CYS  16          1HB       CYS  16  -8.148  -5.585   7.319
  117    H    ARG  17           H        ARG  17  -6.899  -7.878   3.734
  118    HA   ARG  17           HA       ARG  17  -5.872  -9.622   5.875
  119   1HB   ARG  17          2HB       ARG  17  -7.645 -10.379   3.887
  120   2HB   ARG  17          1HB       ARG  17  -6.088 -10.903   3.258
  121   1HG   ARG  17          2HG       ARG  17  -6.581 -12.758   4.438
  122   2HG   ARG  17          1HG       ARG  17  -5.870 -11.827   5.757
  123   1HD   ARG  17          2HD       ARG  17  -8.057 -11.116   6.490
  124   2HD   ARG  17          1HD       ARG  17  -8.813 -11.904   5.106
  125    HE   ARG  17           HE       ARG  17  -7.992 -13.135   7.551
  126   1HH1  ARG  17          1HH1      ARG  17  -8.465 -13.692   4.138
  127   2HH1  ARG  17          2HH1      ARG  17  -8.719 -15.395   4.324
  128   1HH2  ARG  17          1HH2      ARG  17  -8.325 -15.374   7.797
  129   2HH2  ARG  17          2HH2      ARG  17  -8.638 -16.350   6.400
  130    H    ASP  18           H        ASP  18  -4.195 -11.194   4.305
  131    HA   ASP  18           HA       ASP  18  -1.949  -9.463   4.042
  132   1HB   ASP  18          2HB       ASP  18  -1.965 -11.942   4.715
  133   2HB   ASP  18          1HB       ASP  18  -2.087 -12.283   2.992
  134    H    LYS  19           H        LYS  19  -1.010  -8.595   2.265
  135    HA   LYS  19           HA       LYS  19  -2.447  -8.020  -0.004
  136   1HB   LYS  19          2HB       LYS  19   0.153  -7.515   0.943
  137   2HB   LYS  19          1HB       LYS  19   0.353  -8.188  -0.669
  138   1HG   LYS  19          2HG       LYS  19  -1.758  -6.266  -0.686
  139   2HG   LYS  19          1HG       LYS  19  -0.314  -5.556   0.038
  140   1HD   LYS  19          2HD       LYS  19   0.786  -5.525  -1.920
  141   2HD   LYS  19          1HD       LYS  19   0.220  -7.135  -2.369
  142   1HE   LYS  19          2HE       LYS  19  -1.644  -6.335  -3.428
  143   2HE   LYS  19          1HE       LYS  19  -1.736  -4.896  -2.412
  144   1HZ   LYS  19          1HZ       LYS  19   0.499  -4.357  -3.661
  145   2HZ   LYS  19          2HZ       LYS  19  -1.003  -3.972  -4.336
  146   3HZ   LYS  19          3HZ       LYS  19  -0.179  -5.360  -4.843
  147    H    SER  20           H        SER  20  -0.373 -10.757   0.621
  148    HA   SER  20           HA       SER  20  -0.907 -11.820  -2.059
  149   1HB   SER  20          2HB       SER  20   1.463 -11.699  -1.063
  150   2HB   SER  20          1HB       SER  20   0.962 -13.044  -0.038
  151    HG   SER  20           HG       SER  20   0.948 -13.000  -2.878
  152    H    GLU  21           H        GLU  21  -2.949 -11.765   0.011
  153    HA   GLU  21           HA       GLU  21  -3.263 -14.242   1.268
  154   1HB   GLU  21          2HB       GLU  21  -4.535 -12.095   1.731
  155   2HB   GLU  21          1HB       GLU  21  -5.509 -12.466   0.318
  156   1HG   GLU  21          2HG       GLU  21  -6.525 -13.118   2.494
  157   2HG   GLU  21          1HG       GLU  21  -6.370 -14.436   1.336
  158    H    ARG  22           H        ARG  22  -3.881 -16.136   0.569
  159    HA   ARG  22           HA       ARG  22  -4.360 -16.541  -2.256
  160   1HB   ARG  22          2HB       ARG  22  -4.431 -18.749  -0.236
  161   2HB   ARG  22          1HB       ARG  22  -3.881 -18.789  -1.905
  162   1HG   ARG  22          2HG       ARG  22  -1.861 -18.843  -0.900
  163   2HG   ARG  22          1HG       ARG  22  -2.077 -17.091  -0.916
  164   1HD   ARG  22          2HD       ARG  22  -2.248 -16.977   1.318
  165   2HD   ARG  22          1HD       ARG  22  -3.281 -18.405   1.401
  166    HE   ARG  22           HE       ARG  22  -0.750 -19.332   0.830
  167   1HH1  ARG  22          1HH1      ARG  22  -2.261 -17.514   3.397
  168   2HH1  ARG  22          2HH1      ARG  22  -1.175 -18.092   4.615
  169   1HH2  ARG  22          1HH2      ARG  22   0.680 -20.095   2.432
  170   2HH2  ARG  22          2HH2      ARG  22   0.495 -19.557   4.068
  171    H    ASN  23           H        ASN  23  -6.404 -15.404  -0.228
  172    HA   ASN  23           HA       ASN  23  -8.673 -16.808  -1.356
  173   1HB   ASN  23          2HB       ASN  23  -7.822 -17.623   1.099
  174   2HB   ASN  23          1HB       ASN  23  -8.946 -16.346   1.546
  175   1HD2  ASN  23          1HD2      ASN  23  -8.576 -19.522   0.347
  176   2HD2  ASN  23          2HD2      ASN  23 -10.255 -19.909   0.201
  177    H    CYS  24           H        CYS  24  -7.649 -14.254  -1.863
  178    HA   CYS  24           HA       CYS  24  -9.269 -12.359  -0.376
  179   1HB   CYS  24          2HB       CYS  24  -6.795 -12.211  -1.562
  180   2HB   CYS  24          1HB       CYS  24  -7.816 -11.381  -2.727
  181    H    LYS  25           H        LYS  25 -10.867 -11.053  -1.281
  182    HA   LYS  25           HA       LYS  25 -12.179 -12.206  -3.631
  183   1HB   LYS  25          2HB       LYS  25 -13.343 -10.119  -1.800
  184   2HB   LYS  25          1HB       LYS  25 -14.194 -11.245  -2.847
  185   1HG   LYS  25          2HG       LYS  25 -13.019 -13.025  -1.289
  186   2HG   LYS  25          1HG       LYS  25 -13.021 -11.669  -0.160
  187   1HD   LYS  25          2HD       LYS  25 -15.061 -12.552   0.340
  188   2HD   LYS  25          1HD       LYS  25 -15.538 -11.483  -0.981
  189   1HE   LYS  25          2HE       LYS  25 -14.656 -14.105  -1.897
  190   2HE   LYS  25          1HE       LYS  25 -16.047 -14.186  -0.816
  191   1HZ   LYS  25          1HZ       LYS  25 -16.322 -13.827  -3.389
  192   2HZ   LYS  25          2HZ       LYS  25 -16.102 -12.205  -2.965
  193   3HZ   LYS  25          3HZ       LYS  25 -17.369 -13.091  -2.282
  194    HA   PRO  26           HA       PRO  26 -11.619  -8.840  -6.416
  195   1HB   PRO  26          2HB       PRO  26 -14.497  -8.104  -6.301
  196   2HB   PRO  26          1HB       PRO  26 -13.495  -8.521  -7.696
  197   1HG   PRO  26          2HG       PRO  26 -15.279 -10.252  -6.747
  198   2HG   PRO  26          1HG       PRO  26 -13.694 -10.805  -7.324
  199   1HD   PRO  26          2HD       PRO  26 -14.668 -10.430  -4.520
  200   2HD   PRO  26          1HD       PRO  26 -13.641 -11.713  -5.194
  201    H    MET  27           H        MET  27 -10.480  -7.649  -4.715
  202    HA   MET  27           HA       MET  27 -11.603  -5.832  -2.950
  203   1HB   MET  27          2HB       MET  27  -9.441  -4.804  -2.829
  204   2HB   MET  27          1HB       MET  27  -9.204  -6.535  -3.029
  205   1HG   MET  27          2HG       MET  27  -7.957  -6.184  -4.817
  206   2HG   MET  27          1HG       MET  27  -9.286  -5.340  -5.604
  207   1HE   MET  27          1HE       MET  27  -7.516  -4.615  -2.372
  208   2HE   MET  27          2HE       MET  27  -6.670  -3.086  -2.615
  209   3HE   MET  27          3HE       MET  27  -5.970  -4.589  -3.219
  210    H    ALA  28           H        ALA  28 -11.337  -3.420  -3.081
  211    HA   ALA  28           HA       ALA  28 -12.177  -2.444  -5.730
  212   1HB   ALA  28          1HB       ALA  28 -13.520  -0.731  -4.497
  213   2HB   ALA  28          2HB       ALA  28 -13.165  -1.608  -3.009
  214   3HB   ALA  28          3HB       ALA  28 -14.087  -2.389  -4.293
  215    H    TRP  29           H        TRP  29 -11.930   0.057  -5.814
  216    HA   TRP  29           HA       TRP  29  -9.295   0.735  -5.891
  217   1HB   TRP  29          2HB       TRP  29  -9.990   3.063  -6.030
  218   2HB   TRP  29          1HB       TRP  29 -11.104   2.045  -6.938
  219    HD1  TRP  29           HD       TRP  29 -13.616   2.146  -6.279
  220    HE1  TRP  29           1HE      TRP  29 -14.960   3.431  -4.497
  221    HE3  TRP  29           3HE      TRP  29  -9.736   3.984  -3.505
  222    HZ2  TRP  29           2HZ      TRP  29 -14.442   5.012  -2.216
  223    HZ3  TRP  29           3HZ      TRP  29 -10.245   5.374  -1.538
  224    HH2  TRP  29           HH       TRP  29 -12.550   5.876  -0.909
  225    H    THR  30           H        THR  30 -11.399   0.777  -3.117
  226    HA   THR  30           HA       THR  30  -9.855   2.447  -1.445
  227    HB   THR  30           HB       THR  30 -11.158   1.531   0.387
  228    HG1  THR  30           1HG      THR  30 -11.082  -0.665  -0.216
  229   1HG2  THR  30          1HG2      THR  30 -13.508   1.563  -0.711
  230   2HG2  THR  30          2HG2      THR  30 -12.622   2.079  -2.145
  231   3HG2  THR  30          3HG2      THR  30 -12.534   3.033  -0.664
  232    H    TYR  31           H        TYR  31  -8.753   1.680   0.565
  233    HA   TYR  31           HA       TYR  31  -7.348  -0.871   0.196
  234   1HB   TYR  31          2HB       TYR  31  -5.221   0.236   0.870
  235   2HB   TYR  31          1HB       TYR  31  -5.836   0.798  -0.680
  236    HD1  TYR  31           1HD      TYR  31  -6.197   3.079  -1.057
  237    HD2  TYR  31           2HD      TYR  31  -5.685   1.682   2.929
  238    HE1  TYR  31           1HE      TYR  31  -6.096   5.404  -0.261
  239    HE2  TYR  31           2HE      TYR  31  -5.583   4.002   3.736
  240    HH   TYR  31           HH       TYR  31  -5.281   6.677   1.608
  241    H    CYS  32           H        CYS  32  -5.825  -1.112   2.290
  242    HA   CYS  32           HA       CYS  32  -7.689  -0.971   4.530
  243   1HB   CYS  32          2HB       CYS  32  -6.679  -3.140   4.060
  244   2HB   CYS  32          1HB       CYS  32  -5.068  -2.451   4.226
  245    H    GLU  33           H        GLU  33  -4.139  -0.800   4.585
  246    HA   GLU  33           HA       GLU  33  -3.893   1.887   5.306
  247   1HB   GLU  33          2HB       GLU  33  -5.156   0.674   7.330
  248   2HB   GLU  33          1HB       GLU  33  -3.500   0.297   7.787
  249   1HG   GLU  33          2HG       GLU  33  -3.580   3.034   7.092
  250   2HG   GLU  33          1HG       GLU  33  -4.953   2.714   8.149
  251    H    ASN  34           H        ASN  34  -2.621  -1.309   6.236
  252    HA   ASN  34           HA       ASN  34   0.104  -0.309   6.046
  253   1HB   ASN  34          2HB       ASN  34  -0.805  -1.944   7.842
  254   2HB   ASN  34          1HB       ASN  34  -0.647  -3.170   6.588
  255   1HD2  ASN  34          1HD2      ASN  34   0.987  -4.326   7.456
  256   2HD2  ASN  34          2HD2      ASN  34   2.580  -3.710   7.717
  257    H    ARG  35           H        ARG  35   1.629  -1.003   4.562
  258    HA   ARG  35           HA       ARG  35   0.689  -1.659   1.995
  259   1HB   ARG  35          2HB       ARG  35   3.461  -1.622   3.172
  260   2HB   ARG  35          1HB       ARG  35   3.127  -1.863   1.470
  261   1HG   ARG  35          2HG       ARG  35   2.192   0.560   2.969
  262   2HG   ARG  35          1HG       ARG  35   3.764   0.473   2.172
  263   1HD   ARG  35          2HD       ARG  35   2.743   1.168   0.320
  264   2HD   ARG  35          1HD       ARG  35   1.971  -0.416   0.249
  265    HE   ARG  35           HE       ARG  35   0.329   0.937   1.883
  266   1HH1  ARG  35          1HH1      ARG  35   1.688   1.741  -1.232
  267   2HH1  ARG  35          2HH1      ARG  35   0.349   2.733  -1.698
  268   1HH2  ARG  35          1HH2      ARG  35  -1.434   2.242   1.268
  269   2HH2  ARG  35          2HH2      ARG  35  -1.423   3.018  -0.281
  270    H    ASN  36           H        ASN  36   1.295  -3.596   4.653
  271    HA   ASN  36           HA       ASN  36   2.028  -5.958   3.127
  272   1HB   ASN  36          2HB       ASN  36   3.042  -5.481   5.365
  273   2HB   ASN  36          1HB       ASN  36   1.455  -5.728   6.087
  274   1HD2  ASN  36          1HD2      ASN  36   2.405  -7.417   7.320
  275   2HD2  ASN  36          2HD2      ASN  36   2.661  -8.977   6.621
  276    H    GLN  37           H        GLN  37  -0.793  -4.460   4.437
  277    HA   GLN  37           HA       GLN  37  -2.363  -6.827   3.667
  278   1HB   GLN  37          2HB       GLN  37  -2.800  -5.021   6.048
  279   2HB   GLN  37          1HB       GLN  37  -3.978  -6.197   5.481
  280   1HG   GLN  37          2HG       GLN  37  -3.014  -7.599   6.908
  281   2HG   GLN  37          1HG       GLN  37  -1.716  -7.711   5.720
  282   1HE2  GLN  37          1HE2      GLN  37   0.076  -7.843   6.896
  283   2HE2  GLN  37          2HE2      GLN  37   0.553  -6.728   8.127
  284    H    LYS  38           H        LYS  38  -4.162  -6.471   2.459
  285    HA   LYS  38           HA       LYS  38  -4.831  -3.662   1.864
  286   1HB   LYS  38          2HB       LYS  38  -5.400  -4.433  -0.446
  287   2HB   LYS  38          1HB       LYS  38  -3.690  -4.541  -0.050
  288   1HG   LYS  38          2HG       LYS  38  -3.695  -6.676  -0.609
  289   2HG   LYS  38          1HG       LYS  38  -4.886  -7.010   0.649
  290   1HD   LYS  38          2HD       LYS  38  -6.208  -7.639  -1.050
  291   2HD   LYS  38          1HD       LYS  38  -6.428  -5.909  -1.319
  292   1HE   LYS  38          2HE       LYS  38  -4.511  -5.949  -2.881
  293   2HE   LYS  38          1HE       LYS  38  -4.400  -7.694  -2.659
  294   1HZ   LYS  38          1HZ       LYS  38  -5.914  -7.945  -4.235
  295   2HZ   LYS  38          2HZ       LYS  38  -6.037  -6.270  -4.429
  296   3HZ   LYS  38          3HZ       LYS  38  -7.043  -7.068  -3.328
  297    H    CYS  39           H        CYS  39  -7.035  -3.287   1.141
  298    HA   CYS  39           HA       CYS  39  -8.906  -4.966   2.610
  299   1HB   CYS  39          2HB       CYS  39  -8.923  -2.468   2.827
  300   2HB   CYS  39          1HB       CYS  39  -9.447  -2.375   1.149
  301    H    CYS  40           H        CYS  40  -9.815  -6.623   1.599
  302    HA   CYS  40           HA       CYS  40 -10.204  -6.523  -1.298
  303   1HB   CYS  40          2HB       CYS  40  -9.608  -8.592   0.652
  304   2HB   CYS  40          1HB       CYS  40 -10.959  -9.041  -0.379
  305    H    GLU  41           H        GLU  41 -12.252  -7.973  -1.907
  306    HA   GLU  41           HA       GLU  41 -14.515  -6.438  -1.229
  307   1HB   GLU  41          2HB       GLU  41 -13.921  -8.172  -3.231
  308   2HB   GLU  41          1HB       GLU  41 -14.999  -9.164  -2.258
  309   1HG   GLU  41          2HG       GLU  41 -16.171  -6.598  -2.507
  310   2HG   GLU  41          1HG       GLU  41 -15.649  -7.118  -4.109
  311    H    TYR  42           H        TYR  42 -15.886  -6.568   0.423
  312    HA   TYR  42           HA       TYR  42 -15.598  -7.786   2.728
  313   1HB   TYR  42          2HB       TYR  42 -18.112  -7.734   2.982
  314   2HB   TYR  42          1HB       TYR  42 -17.358  -6.224   2.488
  315    HD1  TYR  42           1HD      TYR  42 -19.556  -8.961   1.481
  316    HD2  TYR  42           2HD      TYR  42 -17.654  -5.372   0.217
  317    HE1  TYR  42           1HE      TYR  42 -21.053  -8.861  -0.468
  318    HE2  TYR  42           2HE      TYR  42 -19.147  -5.261  -1.734
  319    HH   TYR  42           HH       TYR  42 -20.726  -7.615  -2.979
  Start of MODEL    3
    1   1H    ILE   1          1HT       ILE   1 -14.137  13.465   3.642
    2   2H    ILE   1          2HT       ILE   1 -15.555  14.201   3.014
    3   3H    ILE   1          3HT       ILE   1 -14.772  14.873   4.386
    4    HA   ILE   1           HA       ILE   1 -14.371  16.098   2.353
    5    HB   ILE   1           HB       ILE   1 -11.837  16.035   2.545
    6   1HG1  ILE   1          2HG1      ILE   1 -12.378  14.187   4.867
    7   2HG1  ILE   1          1HG1      ILE   1 -11.871  13.590   3.291
    8   1HG2  ILE   1          1HG2      ILE   1 -12.608  17.696   3.859
    9   2HG2  ILE   1          2HG2      ILE   1 -12.122  16.610   5.161
   10   3HG2  ILE   1          3HG2      ILE   1 -13.807  16.667   4.642
   11   1HD1  ILE   1          1HD1      ILE   1 -10.255  14.469   5.392
   12   2HD1  ILE   1          2HD1      ILE   1 -10.135  15.703   4.139
   13   3HD1  ILE   1          3HD1      ILE   1  -9.756  14.022   3.761
   14    H    MET   2           H        MET   2 -14.160  15.999   0.218
   15    HA   MET   2           HA       MET   2 -13.162  13.493  -0.965
   16   1HB   MET   2          2HB       MET   2 -15.211  15.487  -1.897
   17   2HB   MET   2          1HB       MET   2 -14.439  14.383  -3.027
   18   1HG   MET   2          2HG       MET   2 -15.394  12.506  -2.038
   19   2HG   MET   2          1HG       MET   2 -15.781  13.372  -0.551
   20   1HE   MET   2          1HE       MET   2 -17.429  16.171  -2.230
   21   2HE   MET   2          2HE       MET   2 -17.110  15.503  -0.629
   22   3HE   MET   2          3HE       MET   2 -18.747  15.480  -1.284
   23    H    PHE   3           H        PHE   3 -11.366  13.549  -2.153
   24    HA   PHE   3           HA       PHE   3 -10.568  15.543  -3.886
   25   1HB   PHE   3          2HB       PHE   3 -10.245  16.537  -1.394
   26   2HB   PHE   3          1HB       PHE   3  -8.688  15.745  -1.607
   27    HD1  PHE   3           1HD      PHE   3 -10.998  18.145  -3.258
   28    HD2  PHE   3           2HD      PHE   3  -6.985  16.825  -2.743
   29    HE1  PHE   3           1HE      PHE   3 -10.199  20.078  -4.555
   30    HE2  PHE   3           2HE      PHE   3  -6.178  18.755  -4.038
   31    HZ   PHE   3           HZ       PHE   3  -7.786  20.384  -4.946
   32    H    PHE   4           H        PHE   4  -9.195  13.330  -1.469
   33    HA   PHE   4           HA       PHE   4  -7.074  12.516  -3.237
   34   1HB   PHE   4          2HB       PHE   4  -7.959  11.336  -0.596
   35   2HB   PHE   4          1HB       PHE   4  -6.459  10.965  -1.438
   36    HD1  PHE   4           1HD      PHE   4  -5.255  13.362  -2.185
   37    HD2  PHE   4           2HD      PHE   4  -7.632  12.618   1.265
   38    HE1  PHE   4           1HE      PHE   4  -4.139  15.220  -1.021
   39    HE2  PHE   4           2HE      PHE   4  -6.522  14.476   2.436
   40    HZ   PHE   4           HZ       PHE   4  -4.773  15.779   1.293
   41    H    GLU   5           H        GLU   5  -7.381  11.163  -4.867
   42    HA   GLU   5           HA       GLU   5  -9.584   9.789  -5.568
   43   1HB   GLU   5          2HB       GLU   5  -7.099  10.024  -6.608
   44   2HB   GLU   5          1HB       GLU   5  -7.082   8.332  -6.133
   45   1HG   GLU   5          2HG       GLU   5  -7.812   8.318  -8.343
   46   2HG   GLU   5          1HG       GLU   5  -9.283   8.125  -7.392
   47    H    MET   6           H        MET   6  -6.887   8.412  -3.696
   48    HA   MET   6           HA       MET   6  -8.299   5.948  -3.232
   49   1HB   MET   6          2HB       MET   6  -5.717   7.055  -2.127
   50   2HB   MET   6          1HB       MET   6  -6.352   5.472  -1.702
   51   1HG   MET   6          2HG       MET   6  -6.178   5.957  -4.579
   52   2HG   MET   6          1HG       MET   6  -4.627   5.983  -3.743
   53   1HE   MET   6          1HE       MET   6  -4.379   3.833  -1.649
   54   2HE   MET   6          2HE       MET   6  -3.344   4.063  -3.058
   55   3HE   MET   6          3HE       MET   6  -3.962   2.457  -2.671
   56    H    GLN   7           H        GLN   7  -8.143   5.198  -0.760
   57    HA   GLN   7           HA       GLN   7  -8.465   6.835   1.370
   58   1HB   GLN   7          2HB       GLN   7 -10.715   7.090  -0.410
   59   2HB   GLN   7          1HB       GLN   7 -11.244   6.421   1.127
   60   1HG   GLN   7          2HG       GLN   7  -9.479   8.824   1.085
   61   2HG   GLN   7          1HG       GLN   7 -11.205   8.990   0.762
   62   1HE2  GLN   7          1HE2      GLN   7  -8.795   8.128   3.123
   63   2HE2  GLN   7          2HE2      GLN   7  -9.831   8.208   4.504
   64    H    ALA   8           H        ALA   8  -9.332   5.781   3.251
   65    HA   ALA   8           HA       ALA   8  -8.824   3.030   3.337
   66   1HB   ALA   8          1HB       ALA   8 -10.532   4.500   5.329
   67   2HB   ALA   8          2HB       ALA   8  -8.779   4.674   5.259
   68   3HB   ALA   8          3HB       ALA   8  -9.495   3.100   5.601
   69    H    CYS   9           H        CYS   9 -10.420   1.369   4.134
   70    HA   CYS   9           HA       CYS   9 -12.873   1.575   2.529
   71   1HB   CYS   9          2HB       CYS   9 -12.904  -0.875   2.552
   72   2HB   CYS   9          1HB       CYS   9 -11.373  -0.270   1.927
   73    H    TRP  10           H        TRP  10 -12.335   2.513   5.386
   74    HA   TRP  10           HA       TRP  10 -13.670   0.916   7.217
   75   1HB   TRP  10          2HB       TRP  10 -13.677   3.934   7.204
   76   2HB   TRP  10          1HB       TRP  10 -13.856   2.876   8.599
   77    HD1  TRP  10           HD       TRP  10 -11.419   5.106   7.483
   78    HE1  TRP  10           1HE      TRP  10  -9.011   4.362   8.005
   79    HE3  TRP  10           3HE      TRP  10 -12.280   0.150   8.404
   80    HZ2  TRP  10           2HZ      TRP  10  -7.656   1.989   8.713
   81    HZ3  TRP  10           3HZ      TRP  10 -10.374  -1.287   8.996
   82    HH2  TRP  10           HH       TRP  10  -8.110  -0.386   9.147
   83    H    SER  11           H        SER  11 -14.902   2.988   4.717
   84    HA   SER  11           HA       SER  11 -17.616   2.889   5.759
   85   1HB   SER  11          2HB       SER  11 -16.777   4.972   4.722
   86   2HB   SER  11          1HB       SER  11 -16.567   4.114   3.196
   87    HG   SER  11           HG       SER  11 -19.004   4.563   4.581
   88    H    HIS  12           H        HIS  12 -16.167   2.162   2.577
   89    HA   HIS  12           HA       HIS  12 -18.290   0.614   1.636
   90   1HB   HIS  12          2HB       HIS  12 -15.795   1.448   0.670
   91   2HB   HIS  12          1HB       HIS  12 -15.760  -0.310   0.577
   92    HD1  HIS  12           1HD      HIS  12 -18.060  -1.321  -0.637
   93    HD2  HIS  12           2HD      HIS  12 -16.932   2.585  -1.498
   94    HE1  HIS  12           1HE      HIS  12 -19.231  -0.741  -2.785
   95    HE2  HIS  12           2HE      HIS  12 -18.466   1.597  -3.331
   96    H    SER  13           H        SER  13 -15.749  -0.170   3.842
   97    HA   SER  13           HA       SER  13 -15.331  -2.019   5.097
   98   1HB   SER  13          2HB       SER  13 -17.740  -3.454   4.068
   99   2HB   SER  13          1HB       SER  13 -17.102  -3.363   5.710
  100    HG   SER  13           HG       SER  13 -19.119  -2.110   5.046
  101    H    GLY  14           H        GLY  14 -14.331  -4.037   4.907
  102   1HA   GLY  14          2HA       GLY  14 -14.503  -5.641   2.561
  103   2HA   GLY  14          1HA       GLY  14 -13.074  -4.621   2.511
  104    H    VAL  15           H        VAL  15 -11.987  -6.750   2.469
  105    HA   VAL  15           HA       VAL  15 -11.709  -7.869   5.182
  106    HB   VAL  15           HB       VAL  15 -11.065  -9.289   2.598
  107   1HG1  VAL  15          1HG1      VAL  15 -10.414 -11.056   3.834
  108   2HG1  VAL  15          2HG1      VAL  15 -11.644 -10.780   5.067
  109   3HG1  VAL  15          3HG1      VAL  15 -10.153  -9.837   5.081
  110   1HG2  VAL  15          1HG2      VAL  15 -13.204 -10.614   3.553
  111   2HG2  VAL  15          2HG2      VAL  15 -13.311  -9.325   2.355
  112   3HG2  VAL  15          3HG2      VAL  15 -13.608  -8.974   4.057
  113    H    CYS  16           H        CYS  16 -10.039  -6.625   5.936
  114    HA   CYS  16           HA       CYS  16  -7.723  -6.003   4.391
  115   1HB   CYS  16          2HB       CYS  16  -8.468  -4.581   6.252
  116   2HB   CYS  16          1HB       CYS  16  -8.152  -5.889   7.386
  117    H    ARG  17           H        ARG  17  -6.727  -7.824   3.631
  118    HA   ARG  17           HA       ARG  17  -5.444  -9.515   5.663
  119   1HB   ARG  17          2HB       ARG  17  -7.471 -10.412   4.027
  120   2HB   ARG  17          1HB       ARG  17  -6.028 -10.895   3.144
  121   1HG   ARG  17          2HG       ARG  17  -6.616 -12.716   4.520
  122   2HG   ARG  17          1HG       ARG  17  -5.215 -11.957   5.277
  123   1HD   ARG  17          2HD       ARG  17  -6.393 -11.287   7.086
  124   2HD   ARG  17          1HD       ARG  17  -7.846 -10.952   6.146
  125    HE   ARG  17           HE       ARG  17  -8.589 -13.071   6.598
  126   1HH1  ARG  17          1HH1      ARG  17  -5.196 -12.869   7.383
  127   2HH1  ARG  17          2HH1      ARG  17  -5.152 -14.424   8.143
  128   1HH2  ARG  17          1HH2      ARG  17  -8.533 -15.116   7.596
  129   2HH2  ARG  17          2HH2      ARG  17  -7.046 -15.701   8.263
  130    H    ASP  18           H        ASP  18  -3.930 -11.106   4.015
  131    HA   ASP  18           HA       ASP  18  -1.857  -9.290   3.246
  132   1HB   ASP  18          2HB       ASP  18  -1.746 -11.763   4.193
  133   2HB   ASP  18          1HB       ASP  18  -1.771 -12.176   2.482
  134    H    LYS  19           H        LYS  19  -1.225  -8.647   1.248
  135    HA   LYS  19           HA       LYS  19  -3.023  -8.555  -0.856
  136   1HB   LYS  19          2HB       LYS  19  -0.016  -8.303  -0.860
  137   2HB   LYS  19          1HB       LYS  19  -1.015  -7.964  -2.266
  138   1HG   LYS  19          2HG       LYS  19  -2.239  -6.450  -0.383
  139   2HG   LYS  19          1HG       LYS  19  -0.561  -6.379   0.154
  140   1HD   LYS  19          2HD       LYS  19   0.034  -5.780  -2.235
  141   2HD   LYS  19          1HD       LYS  19  -1.695  -5.565  -2.512
  142   1HE   LYS  19          2HE       LYS  19  -0.932  -4.175  -0.129
  143   2HE   LYS  19          1HE       LYS  19   0.144  -3.711  -1.447
  144   1HZ   LYS  19          1HZ       LYS  19  -2.218  -3.605  -2.669
  145   2HZ   LYS  19          2HZ       LYS  19  -1.509  -2.278  -1.897
  146   3HZ   LYS  19          3HZ       LYS  19  -2.687  -3.189  -1.098
  147    H    SER  20           H        SER  20  -0.740 -11.024   0.003
  148    HA   SER  20           HA       SER  20  -1.298 -12.468  -2.495
  149   1HB   SER  20          2HB       SER  20   1.068 -12.220  -2.080
  150   2HB   SER  20          1HB       SER  20   0.889 -12.832  -0.436
  151    HG   SER  20           HG       SER  20   1.591 -14.295  -2.309
  152    H    GLU  21           H        GLU  21  -3.247 -12.288  -0.391
  153    HA   GLU  21           HA       GLU  21  -3.232 -14.672   1.145
  154   1HB   GLU  21          2HB       GLU  21  -4.456 -12.522   1.713
  155   2HB   GLU  21          1HB       GLU  21  -5.636 -12.972   0.489
  156   1HG   GLU  21          2HG       GLU  21  -6.628 -13.766   2.391
  157   2HG   GLU  21          1HG       GLU  21  -5.767 -15.198   1.831
  158    H    ARG  22           H        ARG  22  -4.520 -16.456   0.905
  159    HA   ARG  22           HA       ARG  22  -5.187 -17.112  -1.867
  160   1HB   ARG  22          2HB       ARG  22  -5.125 -19.070   0.410
  161   2HB   ARG  22          1HB       ARG  22  -4.924 -19.381  -1.308
  162   1HG   ARG  22          2HG       ARG  22  -2.770 -19.576  -0.572
  163   2HG   ARG  22          1HG       ARG  22  -2.808 -17.875  -1.034
  164   1HD   ARG  22          2HD       ARG  22  -2.682 -17.147   1.111
  165   2HD   ARG  22          1HD       ARG  22  -3.601 -18.514   1.742
  166    HE   ARG  22           HE       ARG  22  -1.282 -19.663   1.010
  167   1HH1  ARG  22          1HH1      ARG  22  -1.992 -16.838   2.935
  168   2HH1  ARG  22          2HH1      ARG  22  -0.570 -16.993   3.910
  169   1HH2  ARG  22          1HH2      ARG  22   0.587 -19.867   2.294
  170   2HH2  ARG  22          2HH2      ARG  22   0.894 -18.712   3.547
  171    H    ASN  23           H        ASN  23  -6.861 -15.588   0.226
  172    HA   ASN  23           HA       ASN  23  -9.355 -16.936  -0.426
  173   1HB   ASN  23          2HB       ASN  23  -8.225 -17.392   2.029
  174   2HB   ASN  23          1HB       ASN  23  -9.272 -16.018   2.364
  175   1HD2  ASN  23          1HD2      ASN  23  -9.084 -19.360   1.735
  176   2HD2  ASN  23          2HD2      ASN  23 -10.776 -19.707   1.804
  177    H    CYS  24           H        CYS  24  -7.979 -14.448  -1.195
  178    HA   CYS  24           HA       CYS  24  -9.582 -12.353   0.026
  179   1HB   CYS  24          2HB       CYS  24  -7.014 -12.424  -0.944
  180   2HB   CYS  24          1HB       CYS  24  -7.882 -11.638  -2.255
  181    H    LYS  25           H        LYS  25 -11.029 -11.044  -1.108
  182    HA   LYS  25           HA       LYS  25 -12.153 -12.298  -3.510
  183   1HB   LYS  25          2HB       LYS  25 -13.269 -10.951  -1.186
  184   2HB   LYS  25          1HB       LYS  25 -13.896 -10.289  -2.688
  185   1HG   LYS  25          2HG       LYS  25 -15.409 -11.943  -2.375
  186   2HG   LYS  25          1HG       LYS  25 -14.188 -12.862  -3.258
  187   1HD   LYS  25          2HD       LYS  25 -13.389 -13.892  -1.316
  188   2HD   LYS  25          1HD       LYS  25 -14.142 -12.691  -0.263
  189   1HE   LYS  25          2HE       LYS  25 -15.582 -14.453   0.010
  190   2HE   LYS  25          1HE       LYS  25 -16.356 -13.607  -1.328
  191   1HZ   LYS  25          1HZ       LYS  25 -14.375 -15.591  -2.075
  192   2HZ   LYS  25          2HZ       LYS  25 -15.887 -15.260  -2.756
  193   3HZ   LYS  25          3HZ       LYS  25 -15.781 -16.204  -1.358
  194    HA   PRO  26           HA       PRO  26 -11.404  -9.020  -6.356
  195   1HB   PRO  26          2HB       PRO  26 -14.222  -8.074  -6.300
  196   2HB   PRO  26          1HB       PRO  26 -13.233  -8.584  -7.672
  197   1HG   PRO  26          2HG       PRO  26 -15.152 -10.165  -6.723
  198   2HG   PRO  26          1HG       PRO  26 -13.606 -10.840  -7.273
  199   1HD   PRO  26          2HD       PRO  26 -14.587 -10.367  -4.488
  200   2HD   PRO  26          1HD       PRO  26 -13.634 -11.720  -5.133
  201    H    MET  27           H        MET  27 -10.206  -7.896  -4.652
  202    HA   MET  27           HA       MET  27 -11.201  -5.980  -2.928
  203   1HB   MET  27          2HB       MET  27  -8.947  -4.997  -2.959
  204   2HB   MET  27          1HB       MET  27  -8.894  -6.751  -2.846
  205   1HG   MET  27          2HG       MET  27  -7.266  -6.366  -4.398
  206   2HG   MET  27          1HG       MET  27  -8.663  -6.620  -5.442
  207   1HE   MET  27          1HE       MET  27  -7.430  -2.861  -3.660
  208   2HE   MET  27          2HE       MET  27  -6.055  -3.107  -4.737
  209   3HE   MET  27          3HE       MET  27  -6.493  -4.353  -3.570
  210    H    ALA  28           H        ALA  28 -10.906  -3.596  -3.066
  211    HA   ALA  28           HA       ALA  28 -11.537  -2.587  -5.759
  212   1HB   ALA  28          1HB       ALA  28 -12.948  -0.855  -4.506
  213   2HB   ALA  28          2HB       ALA  28 -12.858  -1.964  -3.139
  214   3HB   ALA  28          3HB       ALA  28 -13.595  -2.489  -4.653
  215    H    TRP  29           H        TRP  29 -11.345  -0.070  -5.740
  216    HA   TRP  29           HA       TRP  29  -8.715   0.642  -5.536
  217   1HB   TRP  29          2HB       TRP  29  -9.460   2.979  -5.675
  218   2HB   TRP  29          1HB       TRP  29 -10.361   1.951  -6.784
  219    HD1  TRP  29           HD       TRP  29 -12.949   1.885  -6.523
  220    HE1  TRP  29           1HE      TRP  29 -14.624   3.043  -4.950
  221    HE3  TRP  29           3HE      TRP  29  -9.661   3.847  -3.135
  222    HZ2  TRP  29           2HZ      TRP  29 -14.562   4.583  -2.585
  223    HZ3  TRP  29           3HZ      TRP  29 -10.551   5.150  -1.247
  224    HH2  TRP  29           HH       TRP  29 -12.951   5.511  -0.979
  225    H    THR  30           H        THR  30 -11.147   0.666  -3.037
  226    HA   THR  30           HA       THR  30  -9.924   2.345  -1.171
  227    HB   THR  30           HB       THR  30 -11.368   1.394   0.452
  228    HG1  THR  30           1HG      THR  30 -11.365  -0.887  -1.215
  229   1HG2  THR  30          1HG2      THR  30 -13.432   1.627  -0.472
  230   2HG2  THR  30          2HG2      THR  30 -13.011   0.720  -1.923
  231   3HG2  THR  30          3HG2      THR  30 -12.447   2.379  -1.725
  232    H    TYR  31           H        TYR  31  -8.793   1.775   0.809
  233    HA   TYR  31           HA       TYR  31  -7.162  -0.662   0.568
  234   1HB   TYR  31          2HB       TYR  31  -5.219   0.635   1.417
  235   2HB   TYR  31          1HB       TYR  31  -5.776   1.187  -0.159
  236    HD1  TYR  31           1HD      TYR  31  -6.143   1.936   3.477
  237    HD2  TYR  31           2HD      TYR  31  -6.177   3.449  -0.499
  238    HE1  TYR  31           1HE      TYR  31  -6.340   4.224   4.356
  239    HE2  TYR  31           2HE      TYR  31  -6.373   5.742   0.369
  240    HH   TYR  31           HH       TYR  31  -7.069   6.407   3.662
  241    H    CYS  32           H        CYS  32  -5.921  -1.036   2.705
  242    HA   CYS  32           HA       CYS  32  -7.906  -0.988   4.831
  243   1HB   CYS  32          2HB       CYS  32  -6.817  -3.110   4.366
  244   2HB   CYS  32          1HB       CYS  32  -5.232  -2.386   4.611
  245    H    GLU  33           H        GLU  33  -4.369  -0.642   4.979
  246    HA   GLU  33           HA       GLU  33  -4.294   1.991   5.909
  247   1HB   GLU  33          2HB       GLU  33  -5.444   0.494   7.833
  248   2HB   GLU  33          1HB       GLU  33  -3.754   0.275   8.265
  249   1HG   GLU  33          2HG       GLU  33  -3.555   2.796   8.204
  250   2HG   GLU  33          1HG       GLU  33  -5.316   2.834   8.117
  251    H    ASN  34           H        ASN  34  -2.835  -1.198   6.497
  252    HA   ASN  34           HA       ASN  34  -0.170  -0.032   6.429
  253   1HB   ASN  34          2HB       ASN  34  -0.983  -1.916   8.020
  254   2HB   ASN  34          1HB       ASN  34  -0.752  -2.975   6.633
  255   1HD2  ASN  34          1HD2      ASN  34   0.972  -0.375   8.328
  256   2HD2  ASN  34          2HD2      ASN  34   2.517  -1.149   8.297
  257    H    ARG  35           H        ARG  35   1.333  -0.366   4.837
  258    HA   ARG  35           HA       ARG  35   0.370  -0.904   2.233
  259   1HB   ARG  35          2HB       ARG  35   3.096  -0.397   3.385
  260   2HB   ARG  35          1HB       ARG  35   2.858  -0.735   1.681
  261   1HG   ARG  35          2HG       ARG  35   1.307   1.442   3.006
  262   2HG   ARG  35          1HG       ARG  35   2.972   1.715   2.491
  263   1HD   ARG  35          2HD       ARG  35   1.898   2.360   0.590
  264   2HD   ARG  35          1HD       ARG  35   2.056   0.637   0.249
  265    HE   ARG  35           HE       ARG  35  -0.337   0.857   1.542
  266   1HH1  ARG  35          1HH1      ARG  35   1.060   2.322  -1.301
  267   2HH1  ARG  35          2HH1      ARG  35  -0.462   2.518  -2.102
  268   1HH2  ARG  35          1HH2      ARG  35  -2.341   1.115   0.489
  269   2HH2  ARG  35          2HH2      ARG  35  -2.394   1.834  -1.085
  270    H    ASN  36           H        ASN  36   1.249  -2.986   4.659
  271    HA   ASN  36           HA       ASN  36   2.413  -5.014   2.936
  272   1HB   ASN  36          2HB       ASN  36   3.150  -4.553   5.345
  273   2HB   ASN  36          1HB       ASN  36   1.662  -5.359   5.834
  274   1HD2  ASN  36          1HD2      ASN  36   4.307  -5.897   3.524
  275   2HD2  ASN  36          2HD2      ASN  36   4.540  -7.563   3.922
  276    H    GLN  37           H        GLN  37  -0.676  -4.044   3.953
  277    HA   GLN  37           HA       GLN  37  -1.800  -6.566   2.955
  278   1HB   GLN  37          2HB       GLN  37  -3.631  -6.297   4.696
  279   2HB   GLN  37          1HB       GLN  37  -2.062  -6.820   5.292
  280   1HG   GLN  37          2HG       GLN  37  -1.925  -4.078   5.479
  281   2HG   GLN  37          1HG       GLN  37  -3.595  -4.435   5.911
  282   1HE2  GLN  37          1HE2      GLN  37  -0.358  -5.765   6.522
  283   2HE2  GLN  37          2HE2      GLN  37  -0.589  -6.001   8.217
  284    H    LYS  38           H        LYS  38  -4.075  -6.347   2.255
  285    HA   LYS  38           HA       LYS  38  -4.761  -3.591   1.485
  286   1HB   LYS  38          2HB       LYS  38  -5.430  -4.347  -0.726
  287   2HB   LYS  38          1HB       LYS  38  -3.745  -4.755  -0.437
  288   1HG   LYS  38          2HG       LYS  38  -4.154  -7.003  -0.362
  289   2HG   LYS  38          1HG       LYS  38  -5.822  -6.794   0.173
  290   1HD   LYS  38          2HD       LYS  38  -5.866  -7.588  -2.082
  291   2HD   LYS  38          1HD       LYS  38  -6.356  -5.892  -2.095
  292   1HE   LYS  38          2HE       LYS  38  -4.124  -5.233  -2.795
  293   2HE   LYS  38          1HE       LYS  38  -3.584  -6.909  -2.714
  294   1HZ   LYS  38          1HZ       LYS  38  -4.037  -6.618  -4.941
  295   2HZ   LYS  38          2HZ       LYS  38  -5.387  -5.638  -4.665
  296   3HZ   LYS  38          3HZ       LYS  38  -5.482  -7.305  -4.389
  297    H    CYS  39           H        CYS  39  -7.050  -3.336   0.847
  298    HA   CYS  39           HA       CYS  39  -8.746  -4.993   2.571
  299   1HB   CYS  39          2HB       CYS  39  -8.648  -2.430   2.752
  300   2HB   CYS  39          1HB       CYS  39  -9.569  -2.413   1.252
  301    H    CYS  40           H        CYS  40  -9.505  -6.701   1.479
  302    HA   CYS  40           HA       CYS  40 -10.161  -6.568  -1.317
  303   1HB   CYS  40          2HB       CYS  40  -9.858  -8.624   0.757
  304   2HB   CYS  40          1HB       CYS  40 -11.122  -8.964  -0.410
  305    H    GLU  41           H        GLU  41 -12.369  -7.745  -1.887
  306    HA   GLU  41           HA       GLU  41 -14.428  -5.982  -1.002
  307   1HB   GLU  41          2HB       GLU  41 -14.446  -6.835  -3.271
  308   2HB   GLU  41          1HB       GLU  41 -14.552  -8.488  -2.686
  309   1HG   GLU  41          2HG       GLU  41 -16.712  -7.108  -1.541
  310   2HG   GLU  41          1HG       GLU  41 -16.643  -6.616  -3.233
  311    H    TYR  42           H        TYR  42 -15.481  -6.130   0.848
  312    HA   TYR  42           HA       TYR  42 -15.349  -7.805   2.844
  313   1HB   TYR  42          2HB       TYR  42 -17.531  -7.125   3.588
  314   2HB   TYR  42          1HB       TYR  42 -16.777  -5.772   2.756
  315    HD1  TYR  42           1HD      TYR  42 -19.784  -7.338   3.197
  316    HD2  TYR  42           2HD      TYR  42 -17.295  -5.928   0.049
  317    HE1  TYR  42           1HE      TYR  42 -21.751  -7.156   1.732
  318    HE2  TYR  42           2HE      TYR  42 -19.254  -5.741  -1.425
  319    HH   TYR  42           HH       TYR  42 -22.192  -7.169  -0.768
  Start of MODEL    4
    1   1H    ILE   1          1HT       ILE   1  -1.702  13.287  -8.967
    2   2H    ILE   1          2HT       ILE   1  -0.427  12.409  -8.226
    3   3H    ILE   1          3HT       ILE   1  -1.838  12.799  -7.330
    4    HA   ILE   1           HA       ILE   1  -3.106  11.274  -8.352
    5    HB   ILE   1           HB       ILE   1  -2.584  12.028 -10.641
    6   1HG1  ILE   1          2HG1      ILE   1  -2.550   9.631 -11.667
    7   2HG1  ILE   1          1HG1      ILE   1  -2.619   9.095  -9.991
    8   1HG2  ILE   1          1HG2      ILE   1  -0.397  10.117 -11.033
    9   2HG2  ILE   1          2HG2      ILE   1   0.012  11.506 -10.027
   10   3HG2  ILE   1          3HG2      ILE   1  -0.606  11.753 -11.659
   11   1HD1  ILE   1          1HD1      ILE   1  -4.761   9.702 -11.599
   12   2HD1  ILE   1          2HD1      ILE   1  -4.592  11.135 -10.584
   13   3HD1  ILE   1          3HD1      ILE   1  -4.786   9.547  -9.842
   14    H    MET   2           H        MET   2  -3.090   9.198  -7.671
   15    HA   MET   2           HA       MET   2  -0.494   8.103  -6.837
   16   1HB   MET   2          2HB       MET   2  -3.212   8.050  -5.699
   17   2HB   MET   2          1HB       MET   2  -2.349   6.519  -5.614
   18   1HG   MET   2          2HG       MET   2  -1.560   7.349  -3.696
   19   2HG   MET   2          1HG       MET   2  -0.434   8.207  -4.746
   20   1HE   MET   2          1HE       MET   2  -1.358   9.434  -1.614
   21   2HE   MET   2          2HE       MET   2  -0.939  11.011  -2.286
   22   3HE   MET   2          3HE       MET   2  -0.005   9.583  -2.737
   23    H    PHE   3           H        PHE   3  -3.517   7.249  -8.463
   24    HA   PHE   3           HA       PHE   3  -2.337   5.602 -10.351
   25   1HB   PHE   3          2HB       PHE   3  -1.935   4.144  -8.342
   26   2HB   PHE   3          1HB       PHE   3  -3.681   4.004  -8.167
   27    HD1  PHE   3           1HD      PHE   3  -0.758   2.984 -10.079
   28    HD2  PHE   3           2HD      PHE   3  -4.996   2.746  -9.785
   29    HE1  PHE   3           1HE      PHE   3  -0.756   1.086 -11.644
   30    HE2  PHE   3           2HE      PHE   3  -5.002   0.846 -11.349
   31    HZ   PHE   3           HZ       PHE   3  -2.880   0.014 -12.280
   32    H    PHE   4           H        PHE   4  -5.199   6.173  -8.381
   33    HA   PHE   4           HA       PHE   4  -6.815   6.751 -10.631
   34   1HB   PHE   4          2HB       PHE   4  -6.563   4.072 -10.346
   35   2HB   PHE   4          1HB       PHE   4  -7.946   4.363  -9.296
   36    HD1  PHE   4           1HD      PHE   4  -9.947   3.927 -10.308
   37    HD2  PHE   4           2HD      PHE   4  -6.810   5.637 -12.620
   38    HE1  PHE   4           1HE      PHE   4 -11.428   3.976 -12.273
   39    HE2  PHE   4           2HE      PHE   4  -8.285   5.691 -14.589
   40    HZ   PHE   4           HZ       PHE   4 -10.597   4.860 -14.416
   41    H    GLU   5           H        GLU   5  -7.185   5.312  -7.389
   42    HA   GLU   5           HA       GLU   5  -8.043   7.573  -6.101
   43   1HB   GLU   5          2HB       GLU   5  -9.992   7.033  -7.818
   44   2HB   GLU   5          1HB       GLU   5 -10.465   5.901  -6.560
   45   1HG   GLU   5          2HG       GLU   5 -11.510   7.554  -5.536
   46   2HG   GLU   5          1HG       GLU   5  -9.945   8.312  -5.245
   47    H    MET   6           H        MET   6  -6.721   6.624  -4.536
   48    HA   MET   6           HA       MET   6  -7.701   4.143  -3.317
   49   1HB   MET   6          2HB       MET   6  -5.089   5.572  -2.809
   50   2HB   MET   6          1HB       MET   6  -5.533   3.961  -2.263
   51   1HG   MET   6          2HG       MET   6  -5.645   3.230  -4.614
   52   2HG   MET   6          1HG       MET   6  -5.102   4.832  -5.111
   53   1HE   MET   6          1HE       MET   6  -4.225   1.440  -3.536
   54   2HE   MET   6          2HE       MET   6  -3.951   2.446  -2.113
   55   3HE   MET   6          3HE       MET   6  -2.589   1.662  -2.915
   56    H    GLN   7           H        GLN   7  -7.960   3.987  -1.045
   57    HA   GLN   7           HA       GLN   7  -7.621   5.943   0.832
   58   1HB   GLN   7          2HB       GLN   7  -9.591   6.798  -0.900
   59   2HB   GLN   7          1HB       GLN   7 -10.514   6.085   0.415
   60   1HG   GLN   7          2HG       GLN   7  -8.630   7.590   1.730
   61   2HG   GLN   7          1HG       GLN   7  -9.014   8.571   0.317
   62   1HE2  GLN   7          1HE2      GLN   7 -10.980   6.411   2.327
   63   2HE2  GLN   7          2HE2      GLN   7 -12.163   7.598   2.748
   64    H    ALA   8           H        ALA   8  -8.686   5.471   2.876
   65    HA   ALA   8           HA       ALA   8  -8.817   2.737   3.427
   66   1HB   ALA   8          1HB       ALA   8 -10.256   4.635   5.205
   67   2HB   ALA   8          2HB       ALA   8  -8.521   4.853   4.974
   68   3HB   ALA   8          3HB       ALA   8  -9.141   3.329   5.609
   69    H    CYS   9           H        CYS   9 -10.615   1.454   4.182
   70    HA   CYS   9           HA       CYS   9 -13.149   2.189   2.868
   71   1HB   CYS   9          2HB       CYS   9 -13.521  -0.360   2.872
   72   2HB   CYS   9          1HB       CYS   9 -12.373   0.300   1.713
   73    H    TRP  10           H        TRP  10 -12.216   2.757   5.641
   74    HA   TRP  10           HA       TRP  10 -13.372   1.112   7.536
   75   1HB   TRP  10          2HB       TRP  10 -13.145   4.125   7.620
   76   2HB   TRP  10          1HB       TRP  10 -13.387   3.073   9.011
   77    HD1  TRP  10           HD       TRP  10 -11.212   0.869   8.438
   78    HE1  TRP  10           1HE      TRP  10  -8.710   1.454   8.600
   79    HE3  TRP  10           3HE      TRP  10 -11.521   5.939   7.849
   80    HZ2  TRP  10           2HZ      TRP  10  -7.083   3.759   8.493
   81    HZ3  TRP  10           3HZ      TRP  10  -9.447   7.260   7.892
   82    HH2  TRP  10           HH       TRP  10  -7.274   6.191   8.208
   83    H    SER  11           H        SER  11 -14.827   3.661   5.587
   84    HA   SER  11           HA       SER  11 -17.447   3.022   6.763
   85   1HB   SER  11          2HB       SER  11 -16.375   5.460   6.599
   86   2HB   SER  11          1HB       SER  11 -17.099   5.393   4.993
   87    HG   SER  11           HG       SER  11 -19.098   5.042   5.940
   88    H    HIS  12           H        HIS  12 -16.096   1.420   4.722
   89    HA   HIS  12           HA       HIS  12 -18.264   1.398   2.780
   90   1HB   HIS  12          2HB       HIS  12 -15.497   2.179   2.167
   91   2HB   HIS  12          1HB       HIS  12 -16.143   0.927   1.111
   92    HD1  HIS  12           1HD      HIS  12 -17.381   1.779  -0.848
   93    HD2  HIS  12           2HD      HIS  12 -17.373   4.514   2.279
   94    HE1  HIS  12           1HE      HIS  12 -18.550   3.821  -1.737
   95    HE2  HIS  12           2HE      HIS  12 -18.453   5.493   0.143
   96    H    SER  13           H        SER  13 -17.090  -0.286   5.024
   97    HA   SER  13           HA       SER  13 -16.710  -2.479   5.505
   98   1HB   SER  13          2HB       SER  13 -18.944  -2.373   3.987
   99   2HB   SER  13          1HB       SER  13 -17.949  -3.435   2.990
  100    HG   SER  13           HG       SER  13 -18.923  -4.790   4.380
  101    H    GLY  14           H        GLY  14 -15.957  -4.685   4.393
  102   1HA   GLY  14          2HA       GLY  14 -14.563  -5.141   2.218
  103   2HA   GLY  14          1HA       GLY  14 -13.496  -3.970   2.977
  104    H    VAL  15           H        VAL  15 -12.425  -6.345   2.437
  105    HA   VAL  15           HA       VAL  15 -12.353  -7.722   5.044
  106    HB   VAL  15           HB       VAL  15 -11.709  -8.983   2.378
  107   1HG1  VAL  15          1HG1      VAL  15 -12.209 -11.053   3.918
  108   2HG1  VAL  15          2HG1      VAL  15 -11.774  -9.926   5.202
  109   3HG1  VAL  15          3HG1      VAL  15 -10.621 -10.286   3.918
  110   1HG2  VAL  15          1HG2      VAL  15 -13.996  -8.617   2.196
  111   2HG2  VAL  15          2HG2      VAL  15 -14.272  -8.852   3.921
  112   3HG2  VAL  15          3HG2      VAL  15 -13.910 -10.236   2.890
  113    H    CYS  16           H        CYS  16 -10.686  -6.318   5.763
  114    HA   CYS  16           HA       CYS  16  -8.286  -5.843   4.387
  115   1HB   CYS  16          2HB       CYS  16  -9.010  -4.502   6.310
  116   2HB   CYS  16          1HB       CYS  16  -8.791  -5.890   7.371
  117    H    ARG  17           H        ARG  17  -7.375  -7.674   3.529
  118    HA   ARG  17           HA       ARG  17  -6.425  -9.686   5.464
  119   1HB   ARG  17          2HB       ARG  17  -7.951 -10.051   3.133
  120   2HB   ARG  17          1HB       ARG  17  -6.331 -10.601   2.722
  121   1HG   ARG  17          2HG       ARG  17  -7.510 -12.484   3.519
  122   2HG   ARG  17          1HG       ARG  17  -6.393 -12.011   4.801
  123   1HD   ARG  17          2HD       ARG  17  -8.828 -10.601   5.191
  124   2HD   ARG  17          1HD       ARG  17  -9.221 -12.299   4.916
  125    HE   ARG  17           HE       ARG  17  -7.138 -12.255   6.738
  126   1HH1  ARG  17          1HH1      ARG  17 -10.430 -11.106   6.579
  127   2HH1  ARG  17          2HH1      ARG  17 -10.690 -11.238   8.286
  128   1HH2  ARG  17          1HH2      ARG  17  -7.479 -12.429   8.982
  129   2HH2  ARG  17          2HH2      ARG  17  -9.014 -11.988   9.651
  130    H    ASP  18           H        ASP  18  -4.601 -10.974   3.751
  131    HA   ASP  18           HA       ASP  18  -2.445  -9.023   3.810
  132   1HB   ASP  18          2HB       ASP  18  -2.322 -11.446   4.698
  133   2HB   ASP  18          1HB       ASP  18  -2.164 -11.911   3.006
  134    H    LYS  19           H        LYS  19  -1.368  -8.243   2.064
  135    HA   LYS  19           HA       LYS  19  -2.595  -7.998  -0.389
  136   1HB   LYS  19          2HB       LYS  19   0.245  -7.700   0.505
  137   2HB   LYS  19          1HB       LYS  19  -0.144  -7.563  -1.205
  138   1HG   LYS  19          2HG       LYS  19  -2.013  -5.976   0.154
  139   2HG   LYS  19          1HG       LYS  19  -0.446  -5.634   0.883
  140   1HD   LYS  19          2HD       LYS  19  -0.663  -4.110  -0.906
  141   2HD   LYS  19          1HD       LYS  19   0.435  -5.365  -1.482
  142   1HE   LYS  19          2HE       LYS  19  -0.936  -5.311  -3.282
  143   2HE   LYS  19          1HE       LYS  19  -1.884  -6.420  -2.294
  144   1HZ   LYS  19          1HZ       LYS  19  -2.465  -3.705  -3.094
  145   2HZ   LYS  19          2HZ       LYS  19  -2.787  -4.034  -1.467
  146   3HZ   LYS  19          3HZ       LYS  19  -3.520  -4.961  -2.676
  147    H    SER  20           H        SER  20  -0.528 -10.543   0.782
  148    HA   SER  20           HA       SER  20  -0.491 -11.819  -1.856
  149   1HB   SER  20          2HB       SER  20   1.644 -11.618  -0.570
  150   2HB   SER  20          1HB       SER  20   0.952 -12.667   0.666
  151    HG   SER  20           HG       SER  20   0.776 -14.297  -0.909
  152    H    GLU  21           H        GLU  21  -2.867 -11.633  -0.055
  153    HA   GLU  21           HA       GLU  21  -3.405 -14.085   1.172
  154   1HB   GLU  21          2HB       GLU  21  -4.733 -12.047   1.550
  155   2HB   GLU  21          1HB       GLU  21  -5.347 -12.143  -0.094
  156   1HG   GLU  21          2HG       GLU  21  -6.885 -12.969   1.708
  157   2HG   GLU  21          1HG       GLU  21  -6.591 -14.087   0.380
  158    H    ARG  22           H        ARG  22  -3.555 -16.005   0.312
  159    HA   ARG  22           HA       ARG  22  -3.999 -16.324  -2.540
  160   1HB   ARG  22          2HB       ARG  22  -3.554 -18.603  -0.650
  161   2HB   ARG  22          1HB       ARG  22  -3.096 -18.463  -2.342
  162   1HG   ARG  22          2HG       ARG  22  -1.056 -18.206  -1.379
  163   2HG   ARG  22          1HG       ARG  22  -1.574 -16.520  -1.402
  164   1HD   ARG  22          2HD       ARG  22  -1.694 -16.402   0.838
  165   2HD   ARG  22          1HD       ARG  22  -2.441 -17.995   0.972
  166    HE   ARG  22           HE       ARG  22   0.257 -18.328   0.296
  167   1HH1  ARG  22          1HH1      ARG  22  -1.696 -17.230   2.972
  168   2HH1  ARG  22          2HH1      ARG  22  -0.532 -17.681   4.170
  169   1HH2  ARG  22          1HH2      ARG  22   1.790 -18.925   1.872
  170   2HH2  ARG  22          2HH2      ARG  22   1.448 -18.644   3.546
  171    H    ASN  23           H        ASN  23  -6.086 -15.779  -0.280
  172    HA   ASN  23           HA       ASN  23  -8.141 -17.439  -1.476
  173   1HB   ASN  23          2HB       ASN  23  -6.987 -18.328   0.840
  174   2HB   ASN  23          1HB       ASN  23  -8.327 -17.372   1.460
  175   1HD2  ASN  23          1HD2      ASN  23  -7.365 -20.282   0.014
  176   2HD2  ASN  23          2HD2      ASN  23  -8.931 -20.985  -0.181
  177    H    CYS  24           H        CYS  24  -7.613 -14.698  -1.701
  178    HA   CYS  24           HA       CYS  24  -9.567 -13.377   0.029
  179   1HB   CYS  24          2HB       CYS  24  -7.097 -12.587  -0.802
  180   2HB   CYS  24          1HB       CYS  24  -8.121 -11.779  -1.978
  181    H    LYS  25           H        LYS  25 -10.674 -11.457  -1.252
  182    HA   LYS  25           HA       LYS  25 -11.972 -12.647  -3.613
  183   1HB   LYS  25          2HB       LYS  25 -13.067 -10.959  -1.376
  184   2HB   LYS  25          1HB       LYS  25 -13.893 -11.059  -2.924
  185   1HG   LYS  25          2HG       LYS  25 -13.265 -13.372  -1.101
  186   2HG   LYS  25          1HG       LYS  25 -14.844 -12.614  -1.322
  187   1HD   LYS  25          2HD       LYS  25 -14.695 -13.226  -3.749
  188   2HD   LYS  25          1HD       LYS  25 -13.244 -14.154  -3.361
  189   1HE   LYS  25          2HE       LYS  25 -14.988 -15.087  -1.498
  190   2HE   LYS  25          1HE       LYS  25 -16.073 -14.759  -2.849
  191   1HZ   LYS  25          1HZ       LYS  25 -14.124 -16.016  -4.119
  192   2HZ   LYS  25          2HZ       LYS  25 -15.435 -16.830  -3.427
  193   3HZ   LYS  25          3HZ       LYS  25 -13.963 -16.748  -2.601
  194    HA   PRO  26           HA       PRO  26 -10.971  -9.316  -6.299
  195   1HB   PRO  26          2HB       PRO  26 -13.857  -8.566  -6.405
  196   2HB   PRO  26          1HB       PRO  26 -12.722  -8.857  -7.728
  197   1HG   PRO  26          2HG       PRO  26 -14.536 -10.689  -7.085
  198   2HG   PRO  26          1HG       PRO  26 -12.890 -11.165  -7.539
  199   1HD   PRO  26          2HD       PRO  26 -14.165 -11.083  -4.845
  200   2HD   PRO  26          1HD       PRO  26 -12.962 -12.217  -5.491
  201    H    MET  27           H        MET  27  -9.908  -8.071  -4.676
  202    HA   MET  27           HA       MET  27 -11.166  -6.289  -2.919
  203   1HB   MET  27          2HB       MET  27  -9.009  -5.265  -2.632
  204   2HB   MET  27          1HB       MET  27  -8.784  -7.001  -2.776
  205   1HG   MET  27          2HG       MET  27  -7.110  -6.260  -4.128
  206   2HG   MET  27          1HG       MET  27  -8.409  -6.421  -5.308
  207   1HE   MET  27          1HE       MET  27  -5.538  -4.176  -4.520
  208   2HE   MET  27          2HE       MET  27  -5.980  -3.161  -5.893
  209   3HE   MET  27          3HE       MET  27  -5.983  -4.917  -6.057
  210    H    ALA  28           H        ALA  28 -10.852  -3.876  -3.023
  211    HA   ALA  28           HA       ALA  28 -11.454  -2.896  -5.731
  212   1HB   ALA  28          1HB       ALA  28 -12.609  -1.696  -3.229
  213   2HB   ALA  28          2HB       ALA  28 -13.413  -2.991  -4.117
  214   3HB   ALA  28          3HB       ALA  28 -13.110  -1.441  -4.900
  215    H    TRP  29           H        TRP  29 -11.239  -0.379  -5.751
  216    HA   TRP  29           HA       TRP  29  -8.602   0.305  -5.556
  217   1HB   TRP  29          2HB       TRP  29  -9.320   2.649  -5.739
  218   2HB   TRP  29          1HB       TRP  29 -10.224   1.609  -6.835
  219    HD1  TRP  29           HD       TRP  29 -12.799   1.708  -6.675
  220    HE1  TRP  29           1HE      TRP  29 -14.480   2.858  -5.102
  221    HE3  TRP  29           3HE      TRP  29  -9.550   3.382  -3.102
  222    HZ2  TRP  29           2HZ      TRP  29 -14.433   4.286  -2.666
  223    HZ3  TRP  29           3HZ      TRP  29 -10.449   4.631  -1.183
  224    HH2  TRP  29           HH       TRP  29 -12.840   5.075  -0.972
  225    H    THR  30           H        THR  30 -10.982   0.281  -3.028
  226    HA   THR  30           HA       THR  30  -9.668   2.006  -1.209
  227    HB   THR  30           HB       THR  30 -11.183   1.208   0.435
  228    HG1  THR  30           1HG      THR  30 -11.713  -1.027  -1.221
  229   1HG2  THR  30          1HG2      THR  30 -12.252   1.552  -2.261
  230   2HG2  THR  30          2HG2      THR  30 -12.737   2.294  -0.738
  231   3HG2  THR  30          3HG2      THR  30 -13.313   0.681  -1.156
  232    H    TYR  31           H        TYR  31  -8.591   1.389   0.787
  233    HA   TYR  31           HA       TYR  31  -7.281  -1.232   0.717
  234   1HB   TYR  31          2HB       TYR  31  -5.110  -0.162   1.274
  235   2HB   TYR  31          1HB       TYR  31  -5.695   0.270  -0.329
  236    HD1  TYR  31           1HD      TYR  31  -5.827   2.510  -0.944
  237    HD2  TYR  31           2HD      TYR  31  -5.615   1.509   3.185
  238    HE1  TYR  31           1HE      TYR  31  -5.607   4.895  -0.383
  239    HE2  TYR  31           2HE      TYR  31  -5.396   3.891   3.758
  240    HH   TYR  31           HH       TYR  31  -5.873   6.059   2.831
  241    H    CYS  32           H        CYS  32  -5.843  -1.385   2.831
  242    HA   CYS  32           HA       CYS  32  -7.687  -0.901   5.027
  243   1HB   CYS  32          2HB       CYS  32  -6.394  -3.110   4.506
  244   2HB   CYS  32          1HB       CYS  32  -5.053  -2.308   5.317
  245    H    GLU  33           H        GLU  33  -4.137  -0.658   4.753
  246    HA   GLU  33           HA       GLU  33  -3.932   2.047   5.414
  247   1HB   GLU  33          2HB       GLU  33  -4.855   0.844   7.601
  248   2HB   GLU  33          1HB       GLU  33  -3.150   0.480   7.826
  249   1HG   GLU  33          2HG       GLU  33  -2.577   2.774   7.905
  250   2HG   GLU  33          1HG       GLU  33  -4.176   3.261   7.345
  251    H    ASN  34           H        ASN  34  -2.384  -1.055   6.234
  252    HA   ASN  34           HA       ASN  34   0.230   0.054   5.602
  253   1HB   ASN  34          2HB       ASN  34  -0.115  -1.418   7.596
  254   2HB   ASN  34          1HB       ASN  34  -0.473  -2.748   6.498
  255   1HD2  ASN  34          1HD2      ASN  34   1.312  -3.813   7.538
  256   2HD2  ASN  34          2HD2      ASN  34   2.927  -3.477   7.023
  257    H    ARG  35           H        ARG  35   1.645  -0.882   4.046
  258    HA   ARG  35           HA       ARG  35   0.410  -1.499   1.598
  259   1HB   ARG  35          2HB       ARG  35   3.275  -1.680   2.507
  260   2HB   ARG  35          1HB       ARG  35   2.760  -1.917   0.849
  261   1HG   ARG  35          2HG       ARG  35   2.198   0.597   2.387
  262   2HG   ARG  35          1HG       ARG  35   3.649   0.364   1.410
  263   1HD   ARG  35          2HD       ARG  35   2.345   1.329  -0.174
  264   2HD   ARG  35          1HD       ARG  35   1.817  -0.338  -0.397
  265    HE   ARG  35           HE       ARG  35   0.096   0.587   1.460
  266   1HH1  ARG  35          1HH1      ARG  35   1.103   1.817  -1.648
  267   2HH1  ARG  35          2HH1      ARG  35  -0.406   2.607  -1.963
  268   1HH2  ARG  35          1HH2      ARG  35  -1.888   1.624   1.046
  269   2HH2  ARG  35          2HH2      ARG  35  -2.104   2.497  -0.435
  270    H    ASN  36           H        ASN  36   1.093  -3.439   4.231
  271    HA   ASN  36           HA       ASN  36   1.489  -5.878   2.704
  272   1HB   ASN  36          2HB       ASN  36   2.737  -5.469   4.824
  273   2HB   ASN  36          1HB       ASN  36   1.208  -5.534   5.695
  274   1HD2  ASN  36          1HD2      ASN  36   1.890  -7.295   6.910
  275   2HD2  ASN  36          2HD2      ASN  36   2.004  -8.883   6.240
  276    H    GLN  37           H        GLN  37  -1.071  -4.125   4.218
  277    HA   GLN  37           HA       GLN  37  -2.867  -6.434   3.860
  278   1HB   GLN  37          2HB       GLN  37  -2.909  -4.162   5.827
  279   2HB   GLN  37          1HB       GLN  37  -4.377  -5.053   5.447
  280   1HG   GLN  37          2HG       GLN  37  -3.798  -6.486   7.031
  281   2HG   GLN  37          1HG       GLN  37  -2.502  -7.025   5.964
  282   1HE2  GLN  37          1HE2      GLN  37  -0.524  -6.927   6.743
  283   2HE2  GLN  37          2HE2      GLN  37   0.003  -5.947   8.065
  284    H    LYS  38           H        LYS  38  -4.572  -6.251   2.519
  285    HA   LYS  38           HA       LYS  38  -5.115  -3.596   1.360
  286   1HB   LYS  38          2HB       LYS  38  -5.546  -4.644  -0.780
  287   2HB   LYS  38          1HB       LYS  38  -3.939  -5.086  -0.225
  288   1HG   LYS  38          2HG       LYS  38  -4.429  -7.237  -0.373
  289   2HG   LYS  38          1HG       LYS  38  -5.823  -7.032   0.690
  290   1HD   LYS  38          2HD       LYS  38  -7.039  -7.613  -1.101
  291   2HD   LYS  38          1HD       LYS  38  -6.731  -5.969  -1.664
  292   1HE   LYS  38          2HE       LYS  38  -5.178  -6.638  -3.198
  293   2HE   LYS  38          1HE       LYS  38  -4.678  -8.033  -2.245
  294   1HZ   LYS  38          1HZ       LYS  38  -7.378  -8.281  -3.118
  295   2HZ   LYS  38          2HZ       LYS  38  -6.074  -9.330  -3.357
  296   3HZ   LYS  38          3HZ       LYS  38  -6.336  -8.050  -4.430
  297    H    CYS  39           H        CYS  39  -7.282  -3.217   0.638
  298    HA   CYS  39           HA       CYS  39  -9.246  -4.515   2.340
  299   1HB   CYS  39          2HB       CYS  39  -9.072  -1.989   1.959
  300   2HB   CYS  39          1HB       CYS  39  -9.771  -2.290   0.372
  301    H    CYS  40           H        CYS  40  -9.771  -6.483   1.523
  302    HA   CYS  40           HA       CYS  40 -10.181  -6.911  -1.286
  303   1HB   CYS  40          2HB       CYS  40  -9.925  -8.519   1.119
  304   2HB   CYS  40          1HB       CYS  40 -11.214  -9.103   0.077
  305    H    GLU  41           H        GLU  41 -12.253  -8.226  -1.870
  306    HA   GLU  41           HA       GLU  41 -14.432  -6.483  -1.777
  307   1HB   GLU  41          2HB       GLU  41 -13.894  -8.502  -3.355
  308   2HB   GLU  41          1HB       GLU  41 -14.829  -9.424  -2.186
  309   1HG   GLU  41          2HG       GLU  41 -16.355  -8.828  -3.847
  310   2HG   GLU  41          1HG       GLU  41 -16.664  -7.706  -2.524
  311    H    TYR  42           H        TYR  42 -15.392  -5.897   0.068
  312    HA   TYR  42           HA       TYR  42 -15.497  -6.930   2.476
  313   1HB   TYR  42          2HB       TYR  42 -17.700  -5.859   2.803
  314   2HB   TYR  42          1HB       TYR  42 -16.564  -4.830   1.939
  315    HD1  TYR  42           1HD      TYR  42 -17.244  -3.805  -0.025
  316    HD2  TYR  42           2HD      TYR  42 -19.309  -7.279   1.301
  317    HE1  TYR  42           1HE      TYR  42 -18.876  -3.520  -1.842
  318    HE2  TYR  42           2HE      TYR  42 -20.947  -7.005  -0.513
  319    HH   TYR  42           HH       TYR  42 -20.472  -4.814  -3.103
  Start of MODEL    5
    1   1H    ILE   1          1HT       ILE   1   3.346   5.524  -5.275
    2   2H    ILE   1          2HT       ILE   1   4.297   6.655  -4.402
    3   3H    ILE   1          3HT       ILE   1   4.466   6.521  -6.104
    4    HA   ILE   1           HA       ILE   1   1.872   7.162  -4.956
    5    HB   ILE   1           HB       ILE   1   3.441   8.705  -3.866
    6   1HG1  ILE   1          2HG1      ILE   1   1.802   9.989  -6.064
    7   2HG1  ILE   1          1HG1      ILE   1   1.204   9.503  -4.480
    8   1HG2  ILE   1          1HG2      ILE   1   5.082   9.858  -4.913
    9   2HG2  ILE   1          2HG2      ILE   1   4.163  10.028  -6.408
   10   3HG2  ILE   1          3HG2      ILE   1   4.980   8.509  -6.043
   11   1HD1  ILE   1          1HD1      ILE   1   2.011  11.996  -5.116
   12   2HD1  ILE   1          2HD1      ILE   1   3.495  11.332  -4.432
   13   3HD1  ILE   1          3HD1      ILE   1   2.011  11.337  -3.479
   14    H    MET   2           H        MET   2   0.586   6.901  -6.652
   15    HA   MET   2           HA       MET   2   1.343   8.134  -9.193
   16   1HB   MET   2          2HB       MET   2   0.303   6.062 -10.334
   17   2HB   MET   2          1HB       MET   2   1.950   5.947  -9.730
   18   1HG   MET   2          2HG       MET   2   0.792   5.013  -7.587
   19   2HG   MET   2          1HG       MET   2  -0.544   4.692  -8.691
   20   1HE   MET   2          1HE       MET   2  -0.831   2.499  -9.661
   21   2HE   MET   2          2HE       MET   2  -0.309   2.048  -8.038
   22   3HE   MET   2          3HE       MET   2   0.332   1.191  -9.439
   23    H    PHE   3           H        PHE   3  -1.278   6.238  -7.681
   24    HA   PHE   3           HA       PHE   3  -3.371   7.303  -9.130
   25   1HB   PHE   3          2HB       PHE   3  -3.063   5.750  -6.680
   26   2HB   PHE   3          1HB       PHE   3  -4.481   6.794  -6.646
   27    HD1  PHE   3           1HD      PHE   3  -3.449   3.612  -7.377
   28    HD2  PHE   3           2HD      PHE   3  -5.758   6.766  -9.058
   29    HE1  PHE   3           1HE      PHE   3  -4.676   1.978  -8.747
   30    HE2  PHE   3           2HE      PHE   3  -6.990   5.139 -10.431
   31    HZ   PHE   3           HZ       PHE   3  -6.449   2.740 -10.277
   32    H    PHE   4           H        PHE   4  -5.246   8.395  -7.534
   33    HA   PHE   4           HA       PHE   4  -4.171  10.656  -6.090
   34   1HB   PHE   4          2HB       PHE   4  -5.042  10.875  -8.868
   35   2HB   PHE   4          1HB       PHE   4  -5.919  11.967  -7.800
   36    HD1  PHE   4           1HD      PHE   4  -4.153  13.018  -5.941
   37    HD2  PHE   4           2HD      PHE   4  -3.296  11.871  -9.948
   38    HE1  PHE   4           1HE      PHE   4  -2.253  14.581  -5.978
   39    HE2  PHE   4           2HE      PHE   4  -1.393  13.430  -9.992
   40    HZ   PHE   4           HZ       PHE   4  -0.870  14.787  -8.005
   41    H    GLU   5           H        GLU   5  -5.634  11.563  -4.684
   42    HA   GLU   5           HA       GLU   5  -7.429  11.604  -3.288
   43   1HB   GLU   5          2HB       GLU   5  -8.489  12.712  -5.147
   44   2HB   GLU   5          1HB       GLU   5  -8.827  11.174  -5.927
   45   1HG   GLU   5          2HG       GLU   5 -10.797  11.116  -4.930
   46   2HG   GLU   5          1HG       GLU   5  -9.994  11.071  -3.361
   47    H    MET   6           H        MET   6  -6.451   9.501  -2.516
   48    HA   MET   6           HA       MET   6  -8.179   7.197  -3.074
   49   1HB   MET   6          2HB       MET   6  -5.578   7.252  -1.536
   50   2HB   MET   6          1HB       MET   6  -6.445   5.827  -2.092
   51   1HG   MET   6          2HG       MET   6  -5.593   7.819  -4.117
   52   2HG   MET   6          1HG       MET   6  -4.362   6.791  -3.386
   53   1HE   MET   6          1HE       MET   6  -6.048   3.420  -3.666
   54   2HE   MET   6          2HE       MET   6  -4.838   4.444  -2.892
   55   3HE   MET   6          3HE       MET   6  -4.469   3.643  -4.419
   56    H    GLN   7           H        GLN   7  -7.828   5.753  -0.746
   57    HA   GLN   7           HA       GLN   7  -8.130   6.941   1.675
   58   1HB   GLN   7          2HB       GLN   7 -10.447   7.417   0.024
   59   2HB   GLN   7          1HB       GLN   7 -10.893   6.463   1.433
   60   1HG   GLN   7          2HG       GLN   7 -10.008   8.135   2.911
   61   2HG   GLN   7          1HG       GLN   7  -9.374   9.058   1.549
   62   1HE2  GLN   7          1HE2      GLN   7 -12.336   7.897   3.057
   63   2HE2  GLN   7          2HE2      GLN   7 -13.351   9.164   2.466
   64    H    ALA   8           H        ALA   8  -9.738   5.542   3.156
   65    HA   ALA   8           HA       ALA   8  -9.031   2.762   2.554
   66   1HB   ALA   8          1HB       ALA   8  -8.561   4.166   4.799
   67   2HB   ALA   8          2HB       ALA   8  -8.748   2.412   4.766
   68   3HB   ALA   8          3HB       ALA   8 -10.112   3.436   5.212
   69    H    CYS   9           H        CYS   9 -10.713   1.253   3.887
   70    HA   CYS   9           HA       CYS   9 -13.344   1.893   2.732
   71   1HB   CYS   9          2HB       CYS   9 -13.746  -0.538   2.701
   72   2HB   CYS   9          1HB       CYS   9 -12.320  -0.102   1.768
   73    H    TRP  10           H        TRP  10 -12.315   2.738   5.374
   74    HA   TRP  10           HA       TRP  10 -13.290   1.249   7.483
   75   1HB   TRP  10          2HB       TRP  10 -13.385   4.262   7.374
   76   2HB   TRP  10          1HB       TRP  10 -13.194   3.240   8.795
   77    HD1  TRP  10           HD       TRP  10 -11.172   5.547   7.195
   78    HE1  TRP  10           1HE      TRP  10  -8.681   4.906   7.128
   79    HE3  TRP  10           3HE      TRP  10 -11.591   0.545   8.175
   80    HZ2  TRP  10           2HZ      TRP  10  -7.101   2.589   7.449
   81    HZ3  TRP  10           3HZ      TRP  10  -9.541  -0.812   8.277
   82    HH2  TRP  10           HH       TRP  10  -7.343   0.191   7.921
   83    H    SER  11           H        SER  11 -14.990   3.292   5.224
   84    HA   SER  11           HA       SER  11 -17.481   3.008   6.733
   85   1HB   SER  11          2HB       SER  11 -17.085   5.246   5.966
   86   2HB   SER  11          1HB       SER  11 -16.745   4.686   4.329
   87    HG   SER  11           HG       SER  11 -18.791   4.909   3.968
   88    H    HIS  12           H        HIS  12 -16.263   2.496   3.424
   89    HA   HIS  12           HA       HIS  12 -18.521   1.177   2.429
   90   1HB   HIS  12          2HB       HIS  12 -15.671   0.656   1.572
   91   2HB   HIS  12          1HB       HIS  12 -17.132   0.463   0.607
   92    HD1  HIS  12           1HD      HIS  12 -14.703   3.017   1.806
   93    HD2  HIS  12           2HD      HIS  12 -18.210   2.859  -0.418
   94    HE1  HIS  12           1HE      HIS  12 -14.900   5.268   0.702
   95    HE2  HIS  12           2HE      HIS  12 -16.983   5.118  -0.708
   96    H    SER  13           H        SER  13 -15.954   0.067   4.477
   97    HA   SER  13           HA       SER  13 -15.591  -1.893   5.565
   98   1HB   SER  13          2HB       SER  13 -17.434  -3.131   6.252
   99   2HB   SER  13          1HB       SER  13 -18.181  -1.589   5.836
  100    HG   SER  13           HG       SER  13 -18.584  -4.028   4.754
  101    H    GLY  14           H        GLY  14 -14.728  -3.909   5.150
  102   1HA   GLY  14          2HA       GLY  14 -15.330  -5.363   2.752
  103   2HA   GLY  14          1HA       GLY  14 -13.797  -4.512   2.648
  104    H    VAL  15           H        VAL  15 -12.296  -6.064   2.789
  105    HA   VAL  15           HA       VAL  15 -12.239  -7.664   5.241
  106    HB   VAL  15           HB       VAL  15 -11.705  -8.885   2.532
  107   1HG1  VAL  15          1HG1      VAL  15 -11.726 -10.999   3.784
  108   2HG1  VAL  15          2HG1      VAL  15 -11.941 -10.097   5.285
  109   3HG1  VAL  15          3HG1      VAL  15 -10.459  -9.910   4.347
  110   1HG2  VAL  15          1HG2      VAL  15 -14.154  -9.038   4.279
  111   2HG2  VAL  15          2HG2      VAL  15 -13.818 -10.158   2.960
  112   3HG2  VAL  15          3HG2      VAL  15 -14.046  -8.443   2.623
  113    H    CYS  16           H        CYS  16 -10.592  -6.130   5.824
  114    HA   CYS  16           HA       CYS  16  -8.239  -5.746   4.304
  115   1HB   CYS  16          2HB       CYS  16  -8.895  -4.161   6.030
  116   2HB   CYS  16          1HB       CYS  16  -8.738  -5.401   7.269
  117    H    ARG  17           H        ARG  17  -7.477  -7.766   3.656
  118    HA   ARG  17           HA       ARG  17  -6.310  -9.407   5.809
  119   1HB   ARG  17          2HB       ARG  17  -8.149 -10.208   3.904
  120   2HB   ARG  17          1HB       ARG  17  -6.616 -10.748   3.230
  121   1HG   ARG  17          2HG       ARG  17  -6.996 -12.571   4.474
  122   2HG   ARG  17          1HG       ARG  17  -6.353 -11.581   5.786
  123   1HD   ARG  17          2HD       ARG  17  -9.248 -12.038   5.086
  124   2HD   ARG  17          1HD       ARG  17  -8.398 -12.590   6.527
  125    HE   ARG  17           HE       ARG  17  -8.394  -9.733   6.189
  126   1HH1  ARG  17          1HH1      ARG  17 -10.135 -12.466   7.482
  127   2HH1  ARG  17          2HH1      ARG  17 -10.995 -11.524   8.654
  128   1HH2  ARG  17          1HH2      ARG  17  -9.522  -8.492   7.729
  129   2HH2  ARG  17          2HH2      ARG  17 -10.647  -9.268   8.794
  130    H    ASP  18           H        ASP  18  -4.676 -11.020   4.254
  131    HA   ASP  18           HA       ASP  18  -2.466  -9.257   3.812
  132   1HB   ASP  18          2HB       ASP  18  -2.910 -12.194   3.807
  133   2HB   ASP  18          1HB       ASP  18  -1.542 -11.598   2.871
  134    H    LYS  19           H        LYS  19  -1.601  -8.534   1.934
  135    HA   LYS  19           HA       LYS  19  -3.201  -8.448  -0.381
  136   1HB   LYS  19          2HB       LYS  19  -0.309  -7.758   0.117
  137   2HB   LYS  19          1HB       LYS  19  -1.064  -7.550  -1.458
  138   1HG   LYS  19          2HG       LYS  19  -2.836  -6.279   0.172
  139   2HG   LYS  19          1HG       LYS  19  -1.302  -5.945   0.975
  140   1HD   LYS  19          2HD       LYS  19  -0.406  -5.177  -1.229
  141   2HD   LYS  19          1HD       LYS  19  -2.033  -5.349  -1.889
  142   1HE   LYS  19          2HE       LYS  19  -2.770  -3.472  -0.894
  143   2HE   LYS  19          1HE       LYS  19  -1.876  -3.791   0.592
  144   1HZ   LYS  19          1HZ       LYS  19   0.114  -2.955  -0.421
  145   2HZ   LYS  19          2HZ       LYS  19  -1.106  -1.797  -0.597
  146   3HZ   LYS  19          3HZ       LYS  19  -0.660  -2.760  -1.913
  147    H    SER  20           H        SER  20  -0.552 -10.506   0.598
  148    HA   SER  20           HA       SER  20  -0.724 -11.951  -1.953
  149   1HB   SER  20          2HB       SER  20   1.534 -11.226  -1.359
  150   2HB   SER  20          1HB       SER  20   1.403 -12.037   0.202
  151    HG   SER  20           HG       SER  20   1.129 -13.409  -2.258
  152    H    GLU  21           H        GLU  21  -2.763 -12.195   0.050
  153    HA   GLU  21           HA       GLU  21  -2.345 -14.613   1.512
  154   1HB   GLU  21          2HB       GLU  21  -3.926 -12.582   1.980
  155   2HB   GLU  21          1HB       GLU  21  -5.035 -13.438   0.925
  156   1HG   GLU  21          2HG       GLU  21  -3.985 -15.255   2.863
  157   2HG   GLU  21          1HG       GLU  21  -4.588 -13.814   3.679
  158    H    ARG  22           H        ARG  22  -4.446 -16.173   1.202
  159    HA   ARG  22           HA       ARG  22  -4.456 -16.945  -1.637
  160   1HB   ARG  22          2HB       ARG  22  -4.717 -18.973   0.544
  161   2HB   ARG  22          1HB       ARG  22  -4.151 -19.181  -1.108
  162   1HG   ARG  22          2HG       ARG  22  -2.196 -19.356   0.057
  163   2HG   ARG  22          1HG       ARG  22  -2.199 -17.638  -0.331
  164   1HD   ARG  22          2HD       ARG  22  -2.769 -17.019   1.835
  165   2HD   ARG  22          1HD       ARG  22  -3.405 -18.617   2.227
  166    HE   ARG  22           HE       ARG  22  -0.785 -19.101   1.805
  167   1HH1  ARG  22          1HH1      ARG  22  -2.475 -16.780   3.789
  168   2HH1  ARG  22          2HH1      ARG  22  -1.229 -16.708   4.987
  169   1HH2  ARG  22          1HH2      ARG  22   0.859 -19.006   3.380
  170   2HH2  ARG  22          2HH2      ARG  22   0.665 -17.971   4.755
  171    H    ASN  23           H        ASN  23  -6.394 -15.454   0.241
  172    HA   ASN  23           HA       ASN  23  -8.771 -16.802  -0.741
  173   1HB   ASN  23          2HB       ASN  23  -7.975 -17.413   1.785
  174   2HB   ASN  23          1HB       ASN  23  -8.992 -16.010   2.094
  175   1HD2  ASN  23          1HD2      ASN  23  -8.882 -19.314   1.228
  176   2HD2  ASN  23          2HD2      ASN  23 -10.587 -19.580   1.124
  177    H    CYS  24           H        CYS  24  -7.580 -14.379  -1.516
  178    HA   CYS  24           HA       CYS  24  -9.205 -12.290  -0.285
  179   1HB   CYS  24          2HB       CYS  24  -6.597 -12.334  -1.174
  180   2HB   CYS  24          1HB       CYS  24  -7.437 -11.518  -2.483
  181    H    LYS  25           H        LYS  25 -10.634 -11.004  -1.457
  182    HA   LYS  25           HA       LYS  25 -11.585 -12.208  -3.966
  183   1HB   LYS  25          2HB       LYS  25 -12.905 -11.090  -1.616
  184   2HB   LYS  25          1HB       LYS  25 -13.530 -10.420  -3.116
  185   1HG   LYS  25          2HG       LYS  25 -14.896 -12.215  -2.934
  186   2HG   LYS  25          1HG       LYS  25 -13.566 -12.978  -3.806
  187   1HD   LYS  25          2HD       LYS  25 -13.148 -14.361  -2.108
  188   2HD   LYS  25          1HD       LYS  25 -13.101 -13.026  -0.956
  189   1HE   LYS  25          2HE       LYS  25 -14.852 -14.358  -0.188
  190   2HE   LYS  25          1HE       LYS  25 -15.662 -13.080  -1.092
  191   1HZ   LYS  25          1HZ       LYS  25 -16.704 -14.852  -1.995
  192   2HZ   LYS  25          2HZ       LYS  25 -15.426 -15.919  -1.698
  193   3HZ   LYS  25          3HZ       LYS  25 -15.354 -14.860  -3.015
  194    HA   PRO  26           HA       PRO  26 -10.848  -8.731  -6.569
  195   1HB   PRO  26          2HB       PRO  26 -13.407  -7.740  -7.129
  196   2HB   PRO  26          1HB       PRO  26 -12.555  -8.991  -8.037
  197   1HG   PRO  26          2HG       PRO  26 -14.641  -9.267  -5.926
  198   2HG   PRO  26          1HG       PRO  26 -14.375 -10.245  -7.381
  199   1HD   PRO  26          2HD       PRO  26 -13.674 -11.140  -4.963
  200   2HD   PRO  26          1HD       PRO  26 -12.675 -11.479  -6.390
  201    H    MET  27           H        MET  27  -9.887  -7.534  -4.833
  202    HA   MET  27           HA       MET  27 -11.297  -5.844  -3.090
  203   1HB   MET  27          2HB       MET  27  -9.167  -4.819  -2.612
  204   2HB   MET  27          1HB       MET  27  -8.933  -6.552  -2.790
  205   1HG   MET  27          2HG       MET  27  -7.224  -5.958  -4.094
  206   2HG   MET  27          1HG       MET  27  -8.469  -5.720  -5.319
  207   1HE   MET  27          1HE       MET  27  -8.068  -2.286  -6.385
  208   2HE   MET  27          2HE       MET  27  -8.827  -3.870  -6.535
  209   3HE   MET  27          3HE       MET  27  -7.092  -3.696  -6.795
  210    H    ALA  28           H        ALA  28 -11.088  -3.438  -3.072
  211    HA   ALA  28           HA       ALA  28 -11.554  -2.364  -5.775
  212   1HB   ALA  28          1HB       ALA  28 -12.820  -0.559  -4.303
  213   2HB   ALA  28          2HB       ALA  28 -12.953  -1.925  -3.196
  214   3HB   ALA  28          3HB       ALA  28 -13.602  -2.049  -4.831
  215    H    TRP  29           H        TRP  29 -11.338   0.186  -5.653
  216    HA   TRP  29           HA       TRP  29  -8.682   0.821  -5.503
  217   1HB   TRP  29          2HB       TRP  29  -9.353   3.169  -5.572
  218   2HB   TRP  29          1HB       TRP  29 -10.359   2.206  -6.649
  219    HD1  TRP  29           HD       TRP  29 -12.932   1.863  -5.948
  220    HE1  TRP  29           1HE      TRP  29 -14.463   3.204  -4.374
  221    HE3  TRP  29           3HE      TRP  29  -9.370   4.517  -3.414
  222    HZ2  TRP  29           2HZ      TRP  29 -14.199   5.132  -2.329
  223    HZ3  TRP  29           3HZ      TRP  29 -10.094   6.089  -1.665
  224    HH2  TRP  29           HH       TRP  29 -12.459   6.389  -1.135
  225    H    THR  30           H        THR  30 -11.097   0.992  -2.957
  226    HA   THR  30           HA       THR  30  -9.666   2.482  -1.077
  227    HB   THR  30           HB       THR  30 -11.189   1.643   0.558
  228    HG1  THR  30           1HG      THR  30 -11.692  -0.480  -1.251
  229   1HG2  THR  30          1HG2      THR  30 -12.846   1.408  -1.916
  230   2HG2  THR  30          2HG2      THR  30 -12.172   2.958  -1.411
  231   3HG2  THR  30          3HG2      THR  30 -13.273   2.086  -0.345
  232    H    TYR  31           H        TYR  31  -8.377   1.886   0.690
  233    HA   TYR  31           HA       TYR  31  -7.246  -0.829   0.592
  234   1HB   TYR  31          2HB       TYR  31  -5.008   0.117   1.028
  235   2HB   TYR  31          1HB       TYR  31  -5.666   0.664  -0.510
  236    HD1  TYR  31           1HD      TYR  31  -5.740   2.942  -0.997
  237    HD2  TYR  31           2HD      TYR  31  -5.287   1.703   3.047
  238    HE1  TYR  31           1HE      TYR  31  -5.362   5.279  -0.331
  239    HE2  TYR  31           2HE      TYR  31  -4.908   4.036   3.726
  240    HH   TYR  31           HH       TYR  31  -5.493   6.681   1.627
  241    H    CYS  32           H        CYS  32  -5.674  -1.003   2.647
  242    HA   CYS  32           HA       CYS  32  -7.411  -0.446   4.926
  243   1HB   CYS  32          2HB       CYS  32  -6.282  -2.744   4.311
  244   2HB   CYS  32          1HB       CYS  32  -4.896  -2.052   5.144
  245    H    GLU  33           H        GLU  33  -3.863  -0.519   4.546
  246    HA   GLU  33           HA       GLU  33  -3.371   2.151   5.142
  247   1HB   GLU  33          2HB       GLU  33  -2.595   1.942   7.507
  248   2HB   GLU  33          1HB       GLU  33  -4.335   1.797   7.309
  249   1HG   GLU  33          2HG       GLU  33  -4.044   0.044   8.685
  250   2HG   GLU  33          1HG       GLU  33  -3.680  -0.786   7.174
  251    H    ASN  34           H        ASN  34  -2.223  -1.130   5.862
  252    HA   ASN  34           HA       ASN  34   0.519  -0.303   5.268
  253   1HB   ASN  34          2HB       ASN  34   0.007  -1.672   7.313
  254   2HB   ASN  34          1HB       ASN  34  -0.449  -2.996   6.244
  255   1HD2  ASN  34          1HD2      ASN  34   2.141  -1.167   7.594
  256   2HD2  ASN  34          2HD2      ASN  34   3.431  -2.149   6.995
  257    H    ARG  35           H        ARG  35   1.767  -1.268   3.654
  258    HA   ARG  35           HA       ARG  35   0.380  -1.985   1.304
  259   1HB   ARG  35          2HB       ARG  35   3.285  -1.980   2.071
  260   2HB   ARG  35          1HB       ARG  35   2.734  -2.460   0.478
  261   1HG   ARG  35          2HG       ARG  35   1.970   0.182   1.649
  262   2HG   ARG  35          1HG       ARG  35   3.507  -0.047   0.817
  263   1HD   ARG  35          2HD       ARG  35   2.243   0.611  -0.957
  264   2HD   ARG  35          1HD       ARG  35   1.918  -1.121  -1.017
  265    HE   ARG  35           HE       ARG  35  -0.042  -0.167   0.594
  266   1HH1  ARG  35          1HH1      ARG  35   1.071   0.691  -2.601
  267   2HH1  ARG  35          2HH1      ARG  35  -0.487   1.225  -3.136
  268   1HH2  ARG  35          1HH2      ARG  35  -2.092   0.534  -0.109
  269   2HH2  ARG  35          2HH2      ARG  35  -2.283   1.137  -1.722
  270    H    ASN  36           H        ASN  36   1.154  -3.804   3.974
  271    HA   ASN  36           HA       ASN  36   1.589  -6.294   2.542
  272   1HB   ASN  36          2HB       ASN  36   2.838  -5.782   4.638
  273   2HB   ASN  36          1HB       ASN  36   1.314  -5.832   5.520
  274   1HD2  ASN  36          1HD2      ASN  36   2.142  -7.520   6.797
  275   2HD2  ASN  36          2HD2      ASN  36   2.229  -9.138   6.196
  276    H    GLN  37           H        GLN  37  -1.010  -4.501   3.882
  277    HA   GLN  37           HA       GLN  37  -2.790  -6.806   3.465
  278   1HB   GLN  37          2HB       GLN  37  -2.901  -4.775   5.698
  279   2HB   GLN  37          1HB       GLN  37  -4.221  -5.872   5.316
  280   1HG   GLN  37          2HG       GLN  37  -3.286  -7.504   6.477
  281   2HG   GLN  37          1HG       GLN  37  -1.771  -7.337   5.592
  282   1HE2  GLN  37          1HE2      GLN  37  -0.320  -7.473   7.195
  283   2HE2  GLN  37          2HE2      GLN  37  -0.240  -6.401   8.547
  284    H    LYS  38           H        LYS  38  -4.701  -6.400   2.422
  285    HA   LYS  38           HA       LYS  38  -5.262  -3.612   1.675
  286   1HB   LYS  38          2HB       LYS  38  -5.727  -4.262  -0.608
  287   2HB   LYS  38          1HB       LYS  38  -4.098  -4.767  -0.183
  288   1HG   LYS  38          2HG       LYS  38  -4.623  -6.994  -0.236
  289   2HG   LYS  38          1HG       LYS  38  -6.324  -6.714   0.139
  290   1HD   LYS  38          2HD       LYS  38  -6.280  -7.382  -2.121
  291   2HD   LYS  38          1HD       LYS  38  -6.497  -5.631  -2.153
  292   1HE   LYS  38          2HE       LYS  38  -4.051  -5.388  -2.493
  293   2HE   LYS  38          1HE       LYS  38  -3.925  -7.144  -2.591
  294   1HZ   LYS  38          1HZ       LYS  38  -5.349  -5.327  -4.452
  295   2HZ   LYS  38          2HZ       LYS  38  -5.548  -7.007  -4.473
  296   3HZ   LYS  38          3HZ       LYS  38  -4.029  -6.333  -4.791
  297    H    CYS  39           H        CYS  39  -7.472  -3.220   0.991
  298    HA   CYS  39           HA       CYS  39  -9.341  -4.788   2.561
  299   1HB   CYS  39          2HB       CYS  39  -9.326  -2.259   2.516
  300   2HB   CYS  39          1HB       CYS  39  -9.935  -2.358   0.867
  301    H    CYS  40           H        CYS  40  -9.606  -6.711   1.465
  302    HA   CYS  40           HA       CYS  40 -10.236  -6.750  -1.344
  303   1HB   CYS  40          2HB       CYS  40  -9.520  -8.667   0.735
  304   2HB   CYS  40          1HB       CYS  40 -10.785  -9.266  -0.328
  305    H    GLU  41           H        GLU  41 -12.188  -7.998  -2.096
  306    HA   GLU  41           HA       GLU  41 -14.537  -6.754  -1.091
  307   1HB   GLU  41          2HB       GLU  41 -13.811  -7.965  -3.463
  308   2HB   GLU  41          1HB       GLU  41 -14.981  -9.093  -2.791
  309   1HG   GLU  41          2HG       GLU  41 -16.220  -6.690  -2.411
  310   2HG   GLU  41          1HG       GLU  41 -15.368  -6.437  -3.934
  311    H    TYR  42           H        TYR  42 -16.166  -7.534   0.162
  312    HA   TYR  42           HA       TYR  42 -15.863  -9.127   2.220
  313   1HB   TYR  42          2HB       TYR  42 -18.085  -8.088   0.846
  314   2HB   TYR  42          1HB       TYR  42 -18.464  -9.729   1.337
  315    HD1  TYR  42           1HD      TYR  42 -19.755  -9.734   3.250
  316    HD2  TYR  42           2HD      TYR  42 -16.565  -6.936   2.934
  317    HE1  TYR  42           1HE      TYR  42 -20.229  -8.945   5.530
  318    HE2  TYR  42           2HE      TYR  42 -17.030  -6.140   5.214
  319    HH   TYR  42           HH       TYR  42 -19.336  -6.187   6.745
  Start of MODEL    6
    1   1H    ILE   1          1HT       ILE   1   0.489   8.838  -6.381
    2   2H    ILE   1          2HT       ILE   1   0.832   7.829  -7.727
    3   3H    ILE   1          3HT       ILE   1   0.056   7.180  -6.339
    4    HA   ILE   1           HA       ILE   1  -1.360   7.637  -8.310
    5    HB   ILE   1           HB       ILE   1  -2.248   7.259  -6.050
    6   1HG1  ILE   1          2HG1      ILE   1  -4.387   8.533  -6.338
    7   2HG1  ILE   1          1HG1      ILE   1  -3.616   9.445  -7.632
    8   1HG2  ILE   1          1HG2      ILE   1  -1.189   8.905  -4.739
    9   2HG2  ILE   1          2HG2      ILE   1  -2.904   9.316  -4.724
   10   3HG2  ILE   1          3HG2      ILE   1  -1.790  10.214  -5.756
   11   1HD1  ILE   1          1HD1      ILE   1  -4.965   7.707  -8.577
   12   2HD1  ILE   1          2HD1      ILE   1  -4.165   6.489  -7.585
   13   3HD1  ILE   1          3HD1      ILE   1  -3.266   7.324  -8.852
   14    H    MET   2           H        MET   2  -2.388   9.163  -9.581
   15    HA   MET   2           HA       MET   2  -1.574  11.964  -9.220
   16   1HB   MET   2          2HB       MET   2  -1.625  10.564 -11.896
   17   2HB   MET   2          1HB       MET   2  -1.096  12.208 -11.568
   18   1HG   MET   2          2HG       MET   2   0.283   9.978 -10.175
   19   2HG   MET   2          1HG       MET   2   0.617  10.241 -11.887
   20   1HE   MET   2          1HE       MET   2   2.860  11.702 -12.415
   21   2HE   MET   2          2HE       MET   2   3.016  10.400 -11.234
   22   3HE   MET   2          3HE       MET   2   3.773  11.963 -10.928
   23    H    PHE   3           H        PHE   3  -3.163  13.419  -9.508
   24    HA   PHE   3           HA       PHE   3  -5.241  14.284  -9.831
   25   1HB   PHE   3          2HB       PHE   3  -5.332  12.199 -12.021
   26   2HB   PHE   3          1HB       PHE   3  -6.497  13.505 -11.830
   27    HD1  PHE   3           1HD      PHE   3  -5.795  15.846 -12.173
   28    HD2  PHE   3           2HD      PHE   3  -3.199  12.574 -12.987
   29    HE1  PHE   3           1HE      PHE   3  -4.361  17.324 -13.519
   30    HE2  PHE   3           2HE      PHE   3  -1.759  14.048 -14.334
   31    HZ   PHE   3           HZ       PHE   3  -2.340  16.425 -14.602
   32    H    PHE   4           H        PHE   4  -4.978  12.369  -7.807
   33    HA   PHE   4           HA       PHE   4  -7.717  11.667  -7.411
   34   1HB   PHE   4          2HB       PHE   4  -6.379   9.782  -8.833
   35   2HB   PHE   4          1HB       PHE   4  -6.055   9.233  -7.192
   36    HD1  PHE   4           1HD      PHE   4  -9.049  10.739  -8.832
   37    HD2  PHE   4           2HD      PHE   4  -7.409   7.456  -6.676
   38    HE1  PHE   4           1HE      PHE   4 -11.273   9.686  -8.750
   39    HE2  PHE   4           2HE      PHE   4  -9.628   6.398  -6.591
   40    HZ   PHE   4           HZ       PHE   4 -11.564   7.512  -7.629
   41    H    GLU   5           H        GLU   5  -7.367   9.715  -5.423
   42    HA   GLU   5           HA       GLU   5  -5.380  10.175  -3.585
   43   1HB   GLU   5          2HB       GLU   5  -6.752  12.449  -3.676
   44   2HB   GLU   5          1HB       GLU   5  -7.805  11.574  -2.573
   45   1HG   GLU   5          2HG       GLU   5  -5.292  11.121  -1.542
   46   2HG   GLU   5          1HG       GLU   5  -5.212  12.789  -2.108
   47    H    MET   6           H        MET   6  -5.506   8.041  -3.121
   48    HA   MET   6           HA       MET   6  -7.949   6.672  -2.622
   49   1HB   MET   6          2HB       MET   6  -5.065   5.947  -2.101
   50   2HB   MET   6          1HB       MET   6  -6.402   4.857  -1.768
   51   1HG   MET   6          2HG       MET   6  -6.738   4.379  -3.940
   52   2HG   MET   6          1HG       MET   6  -6.331   6.008  -4.475
   53   1HE   MET   6          1HE       MET   6  -5.736   4.351  -6.288
   54   2HE   MET   6          2HE       MET   6  -4.689   2.958  -6.016
   55   3HE   MET   6          3HE       MET   6  -4.019   4.450  -6.676
   56    H    GLN   7           H        GLN   7  -7.689   5.193  -0.398
   57    HA   GLN   7           HA       GLN   7  -6.856   6.387   1.930
   58   1HB   GLN   7          2HB       GLN   7  -8.915   7.878   0.952
   59   2HB   GLN   7          1HB       GLN   7  -9.778   6.752   1.990
   60   1HG   GLN   7          2HG       GLN   7  -9.055   7.738   3.855
   61   2HG   GLN   7          1HG       GLN   7  -7.411   7.904   3.242
   62   1HE2  GLN   7          1HE2      GLN   7 -10.658   9.255   2.801
   63   2HE2  GLN   7          2HE2      GLN   7 -10.136  10.886   2.570
   64    H    ALA   8           H        ALA   8  -8.612   5.619   3.819
   65    HA   ALA   8           HA       ALA   8  -8.422   2.769   3.697
   66   1HB   ALA   8          1HB       ALA   8  -9.859   3.148   5.917
   67   2HB   ALA   8          2HB       ALA   8  -9.209   4.776   5.721
   68   3HB   ALA   8          3HB       ALA   8  -8.115   3.399   5.851
   69    H    CYS   9           H        CYS   9 -10.196   1.284   4.024
   70    HA   CYS   9           HA       CYS   9 -12.645   2.192   2.669
   71   1HB   CYS   9          2HB       CYS   9 -12.984  -0.268   2.206
   72   2HB   CYS   9          1HB       CYS   9 -11.593   0.460   1.409
   73    H    TRP  10           H        TRP  10 -11.990   2.391   5.578
   74    HA   TRP  10           HA       TRP  10 -13.305   0.503   7.109
   75   1HB   TRP  10          2HB       TRP  10 -13.158   3.469   7.662
   76   2HB   TRP  10          1HB       TRP  10 -13.428   2.197   8.849
   77    HD1  TRP  10           HD       TRP  10 -11.083   0.237   7.720
   78    HE1  TRP  10           1HE      TRP  10  -8.640   0.850   8.251
   79    HE3  TRP  10           3HE      TRP  10 -11.696   5.209   8.745
   80    HZ2  TRP  10           2HZ      TRP  10  -7.168   3.138   9.004
   81    HZ3  TRP  10           3HZ      TRP  10  -9.719   6.538   9.363
   82    HH2  TRP  10           HH       TRP  10  -7.503   5.522   9.490
   83    H    SER  11           H        SER  11 -14.585   3.163   5.239
   84    HA   SER  11           HA       SER  11 -17.258   2.809   6.330
   85   1HB   SER  11          2HB       SER  11 -16.556   5.088   5.906
   86   2HB   SER  11          1HB       SER  11 -16.177   4.700   4.229
   87    HG   SER  11           HG       SER  11 -18.736   4.695   5.454
   88    H    HIS  12           H        HIS  12 -15.444   2.125   3.409
   89    HA   HIS  12           HA       HIS  12 -17.673   1.372   1.815
   90   1HB   HIS  12          2HB       HIS  12 -14.746   0.651   1.557
   91   2HB   HIS  12          1HB       HIS  12 -15.969   0.355   0.326
   92    HD1  HIS  12           1HD      HIS  12 -14.267   3.230   2.100
   93    HD2  HIS  12           2HD      HIS  12 -16.461   2.465  -1.344
   94    HE1  HIS  12           1HE      HIS  12 -14.170   5.354   0.756
   95    HE2  HIS  12           2HE      HIS  12 -15.575   4.894  -1.285
   96    H    SER  13           H        SER  13 -16.046  -0.176   4.382
   97    HA   SER  13           HA       SER  13 -16.338  -2.197   5.381
   98   1HB   SER  13          2HB       SER  13 -18.453  -3.038   3.450
   99   2HB   SER  13          1HB       SER  13 -18.385  -3.239   5.200
  100    HG   SER  13           HG       SER  13 -18.672  -0.877   5.268
  101    H    GLY  14           H        GLY  14 -15.031  -3.889   5.194
  102   1HA   GLY  14          2HA       GLY  14 -14.954  -5.596   2.925
  103   2HA   GLY  14          1HA       GLY  14 -13.584  -4.495   2.906
  104    H    VAL  15           H        VAL  15 -12.443  -6.638   3.025
  105    HA   VAL  15           HA       VAL  15 -12.143  -7.427   5.851
  106    HB   VAL  15           HB       VAL  15 -11.711  -9.246   3.481
  107   1HG1  VAL  15          1HG1      VAL  15 -10.454 -10.249   5.079
  108   2HG1  VAL  15          2HG1      VAL  15 -12.025 -10.883   5.569
  109   3HG1  VAL  15          3HG1      VAL  15 -11.337  -9.491   6.404
  110   1HG2  VAL  15          1HG2      VAL  15 -14.015  -9.309   5.418
  111   2HG2  VAL  15          2HG2      VAL  15 -13.794 -10.293   3.970
  112   3HG2  VAL  15          3HG2      VAL  15 -14.100  -8.562   3.823
  113    H    CYS  16           H        CYS  16 -10.408  -6.142   6.322
  114    HA   CYS  16           HA       CYS  16  -8.184  -5.709   4.661
  115   1HB   CYS  16          2HB       CYS  16  -8.671  -4.227   6.513
  116   2HB   CYS  16          1HB       CYS  16  -8.455  -5.537   7.669
  117    H    ARG  17           H        ARG  17  -7.580  -7.745   3.835
  118    HA   ARG  17           HA       ARG  17  -6.448  -9.664   5.735
  119   1HB   ARG  17          2HB       ARG  17  -7.904  -9.952   3.350
  120   2HB   ARG  17          1HB       ARG  17  -6.270 -10.472   2.963
  121   1HG   ARG  17          2HG       ARG  17  -6.329 -12.048   4.831
  122   2HG   ARG  17          1HG       ARG  17  -7.970 -11.525   5.215
  123   1HD   ARG  17          2HD       ARG  17  -8.875 -12.726   3.544
  124   2HD   ARG  17          1HD       ARG  17  -7.572 -12.330   2.424
  125    HE   ARG  17           HE       ARG  17  -6.568 -14.307   2.964
  126   1HH1  ARG  17          1HH1      ARG  17  -8.893 -13.532   5.449
  127   2HH1  ARG  17          2HH1      ARG  17  -8.707 -15.046   6.270
  128   1HH2  ARG  17          1HH2      ARG  17  -6.323 -16.298   4.042
  129   2HH2  ARG  17          2HH2      ARG  17  -7.248 -16.615   5.472
  130    H    ASP  18           H        ASP  18  -4.579 -10.877   4.024
  131    HA   ASP  18           HA       ASP  18  -2.456  -8.869   4.116
  132   1HB   ASP  18          2HB       ASP  18  -2.448 -11.366   5.085
  133   2HB   ASP  18          1HB       ASP  18  -1.857 -11.707   3.460
  134    H    LYS  19           H        LYS  19  -1.217  -8.306   2.363
  135    HA   LYS  19           HA       LYS  19  -2.400  -8.357  -0.171
  136   1HB   LYS  19          2HB       LYS  19   0.277  -7.585   0.887
  137   2HB   LYS  19          1HB       LYS  19   0.094  -7.763  -0.853
  138   1HG   LYS  19          2HG       LYS  19  -2.098  -6.240   0.017
  139   2HG   LYS  19          1HG       LYS  19  -0.679  -5.591   0.840
  140   1HD   LYS  19          2HD       LYS  19   0.178  -4.747  -1.057
  141   2HD   LYS  19          1HD       LYS  19  -0.245  -6.181  -1.995
  142   1HE   LYS  19          2HE       LYS  19  -2.389  -4.295  -1.116
  143   2HE   LYS  19          1HE       LYS  19  -1.387  -3.889  -2.509
  144   1HZ   LYS  19          1HZ       LYS  19  -3.441  -5.915  -2.233
  145   2HZ   LYS  19          2HZ       LYS  19  -2.061  -6.405  -3.078
  146   3HZ   LYS  19          3HZ       LYS  19  -2.939  -5.059  -3.604
  147    H    SER  20           H        SER  20   0.128 -10.351   1.242
  148    HA   SER  20           HA       SER  20   0.661 -11.805  -1.154
  149   1HB   SER  20          2HB       SER  20   2.238 -11.511   0.830
  150   2HB   SER  20          1HB       SER  20   1.276 -12.744   1.647
  151    HG   SER  20           HG       SER  20   1.722 -14.045  -0.317
  152    H    GLU  21           H        GLU  21  -1.880 -11.887   1.049
  153    HA   GLU  21           HA       GLU  21  -2.505 -14.687   0.478
  154   1HB   GLU  21          2HB       GLU  21  -2.517 -13.742   2.853
  155   2HB   GLU  21          1HB       GLU  21  -3.973 -12.877   2.383
  156   1HG   GLU  21          2HG       GLU  21  -4.675 -14.839   3.485
  157   2HG   GLU  21          1HG       GLU  21  -4.971 -15.096   1.767
  158    H    ARG  22           H        ARG  22  -3.341 -14.608  -1.577
  159    HA   ARG  22           HA       ARG  22  -5.536 -12.752  -2.114
  160   1HB   ARG  22          2HB       ARG  22  -3.986 -14.580  -3.944
  161   2HB   ARG  22          1HB       ARG  22  -5.300 -13.536  -4.464
  162   1HG   ARG  22          2HG       ARG  22  -3.256 -12.448  -4.989
  163   2HG   ARG  22          1HG       ARG  22  -3.982 -11.589  -3.629
  164   1HD   ARG  22          2HD       ARG  22  -2.343 -12.198  -2.194
  165   2HD   ARG  22          1HD       ARG  22  -2.134 -13.782  -2.938
  166    HE   ARG  22           HE       ARG  22  -0.636 -11.425  -3.491
  167   1HH1  ARG  22          1HH1      ARG  22  -1.894 -14.333  -4.955
  168   2HH1  ARG  22          2HH1      ARG  22  -0.675 -14.390  -6.183
  169   1HH2  ARG  22          1HH2      ARG  22   0.968 -11.500  -5.106
  170   2HH2  ARG  22          2HH2      ARG  22   0.950 -12.782  -6.270
  171    H    ASN  23           H        ASN  23  -6.093 -14.792  -0.283
  172    HA   ASN  23           HA       ASN  23  -7.657 -16.756  -1.784
  173   1HB   ASN  23          2HB       ASN  23  -6.197 -16.819   0.667
  174   2HB   ASN  23          1HB       ASN  23  -7.888 -17.141   1.031
  175   1HD2  ASN  23          1HD2      ASN  23  -5.385 -18.045  -1.311
  176   2HD2  ASN  23          2HD2      ASN  23  -5.823 -19.713  -1.395
  177    H    CYS  24           H        CYS  24  -8.366 -13.864  -1.454
  178    HA   CYS  24           HA       CYS  24 -10.998 -14.245  -0.188
  179   1HB   CYS  24          2HB       CYS  24  -9.126 -12.542   0.732
  180   2HB   CYS  24          1HB       CYS  24  -9.906 -11.501  -0.452
  181    H    LYS  25           H        LYS  25 -12.356 -12.097  -1.031
  182    HA   LYS  25           HA       LYS  25 -12.815 -12.679  -3.798
  183   1HB   LYS  25          2HB       LYS  25 -14.044 -10.554  -2.032
  184   2HB   LYS  25          1HB       LYS  25 -14.639 -11.042  -3.612
  185   1HG   LYS  25          2HG       LYS  25 -14.375 -13.323  -1.873
  186   2HG   LYS  25          1HG       LYS  25 -15.374 -12.073  -1.129
  187   1HD   LYS  25          2HD       LYS  25 -15.975 -12.510  -3.955
  188   2HD   LYS  25          1HD       LYS  25 -16.232 -13.940  -2.955
  189   1HE   LYS  25          2HE       LYS  25 -17.400 -11.200  -2.482
  190   2HE   LYS  25          1HE       LYS  25 -18.264 -12.607  -3.102
  191   1HZ   LYS  25          1HZ       LYS  25 -17.368 -12.025  -0.380
  192   2HZ   LYS  25          2HZ       LYS  25 -17.364 -13.642  -0.874
  193   3HZ   LYS  25          3HZ       LYS  25 -18.801 -12.751  -0.915
  194    HA   PRO  26           HA       PRO  26 -10.386  -9.576  -5.748
  195   1HB   PRO  26          2HB       PRO  26 -12.075  -8.676  -7.708
  196   2HB   PRO  26          1HB       PRO  26 -11.190 -10.202  -7.797
  197   1HG   PRO  26          2HG       PRO  26 -14.031  -9.702  -7.004
  198   2HG   PRO  26          1HG       PRO  26 -13.362 -10.993  -8.020
  199   1HD   PRO  26          2HD       PRO  26 -14.028 -11.410  -5.446
  200   2HD   PRO  26          1HD       PRO  26 -12.641 -12.225  -6.199
  201    H    MET  27           H        MET  27 -10.079  -7.927  -4.328
  202    HA   MET  27           HA       MET  27 -12.035  -6.158  -3.386
  203   1HB   MET  27          2HB       MET  27 -10.142  -4.732  -2.702
  204   2HB   MET  27          1HB       MET  27  -9.898  -6.418  -2.262
  205   1HG   MET  27          2HG       MET  27  -8.309  -6.742  -3.964
  206   2HG   MET  27          1HG       MET  27  -8.745  -5.233  -4.764
  207   1HE   MET  27          1HE       MET  27  -8.184  -2.632  -2.916
  208   2HE   MET  27          2HE       MET  27  -7.890  -3.245  -4.543
  209   3HE   MET  27          3HE       MET  27  -6.538  -2.717  -3.542
  210    H    ALA  28           H        ALA  28 -12.096  -3.795  -3.795
  211    HA   ALA  28           HA       ALA  28 -11.505  -3.090  -6.583
  212   1HB   ALA  28          1HB       ALA  28 -13.718  -3.388  -6.958
  213   2HB   ALA  28          2HB       ALA  28 -13.818  -1.768  -6.271
  214   3HB   ALA  28          3HB       ALA  28 -14.146  -3.176  -5.261
  215    H    TRP  29           H        TRP  29  -9.985  -1.578  -6.301
  216    HA   TRP  29           HA       TRP  29  -8.860   0.234  -5.523
  217   1HB   TRP  29          2HB       TRP  29  -9.921   2.136  -6.119
  218   2HB   TRP  29          1HB       TRP  29 -11.162   1.033  -6.690
  219    HD1  TRP  29           HD       TRP  29 -13.364   0.759  -5.067
  220    HE1  TRP  29           1HE      TRP  29 -14.446   2.450  -3.459
  221    HE3  TRP  29           3HE      TRP  29  -9.456   4.019  -4.562
  222    HZ2  TRP  29           2HZ      TRP  29 -13.740   4.850  -2.154
  223    HZ3  TRP  29           3HZ      TRP  29  -9.744   5.989  -3.119
  224    HH2  TRP  29           HH       TRP  29 -11.844   6.396  -1.940
  225    H    THR  30           H        THR  30  -9.070   2.142  -3.741
  226    HA   THR  30           HA       THR  30  -8.923   2.648  -1.527
  227    HB   THR  30           HB       THR  30 -10.735   0.642  -0.455
  228    HG1  THR  30           1HG      THR  30 -12.236   0.674  -1.894
  229   1HG2  THR  30          1HG2      THR  30 -10.155   2.989   0.418
  230   2HG2  THR  30          2HG2      THR  30 -11.823   2.424   0.528
  231   3HG2  THR  30          3HG2      THR  30 -11.354   3.547  -0.749
  232    H    TYR  31           H        TYR  31  -8.190   1.783   0.585
  233    HA   TYR  31           HA       TYR  31  -7.068  -0.916   0.435
  234   1HB   TYR  31          2HB       TYR  31  -4.892  -0.080   1.278
  235   2HB   TYR  31          1HB       TYR  31  -5.274   0.521  -0.331
  236    HD1  TYR  31           1HD      TYR  31  -5.686   2.867  -0.715
  237    HD2  TYR  31           2HD      TYR  31  -4.940   1.418   3.216
  238    HE1  TYR  31           1HE      TYR  31  -5.343   5.173   0.064
  239    HE2  TYR  31           2HE      TYR  31  -4.597   3.721   4.006
  240    HH   TYR  31           HH       TYR  31  -4.280   6.375   1.853
  241    H    CYS  32           H        CYS  32  -5.796  -1.242   2.672
  242    HA   CYS  32           HA       CYS  32  -7.831  -0.864   4.714
  243   1HB   CYS  32          2HB       CYS  32  -6.946  -3.095   4.477
  244   2HB   CYS  32          1HB       CYS  32  -5.294  -2.507   4.631
  245    H    GLU  33           H        GLU  33  -4.270  -0.607   4.688
  246    HA   GLU  33           HA       GLU  33  -4.138   2.025   5.625
  247   1HB   GLU  33          2HB       GLU  33  -3.401   1.556   7.979
  248   2HB   GLU  33          1HB       GLU  33  -5.111   1.285   7.678
  249   1HG   GLU  33          2HG       GLU  33  -4.747  -0.640   8.755
  250   2HG   GLU  33          1HG       GLU  33  -4.133  -1.182   7.194
  251    H    ASN  34           H        ASN  34  -2.642  -1.174   5.865
  252    HA   ASN  34           HA       ASN  34  -0.019   0.069   5.389
  253   1HB   ASN  34          2HB       ASN  34  -0.419  -1.429   7.439
  254   2HB   ASN  34          1HB       ASN  34  -0.459  -2.770   6.297
  255   1HD2  ASN  34          1HD2      ASN  34   1.375  -3.686   7.223
  256   2HD2  ASN  34          2HD2      ASN  34   2.953  -3.034   6.964
  257    H    ARG  35           H        ARG  35   1.377  -0.816   3.805
  258    HA   ARG  35           HA       ARG  35   0.072  -1.657   1.446
  259   1HB   ARG  35          2HB       ARG  35   2.956  -1.363   2.230
  260   2HB   ARG  35          1HB       ARG  35   2.468  -1.908   0.636
  261   1HG   ARG  35          2HG       ARG  35   1.428   0.651   1.780
  262   2HG   ARG  35          1HG       ARG  35   2.991   0.575   0.967
  263   1HD   ARG  35          2HD       ARG  35   1.486   1.203  -0.715
  264   2HD   ARG  35          1HD       ARG  35   1.730  -0.524  -0.965
  265    HE   ARG  35           HE       ARG  35  -0.530   0.096   0.702
  266   1HH1  ARG  35          1HH1      ARG  35   0.575  -0.321  -2.583
  267   2HH1  ARG  35          2HH1      ARG  35  -1.000  -0.696  -3.197
  268   1HH2  ARG  35          1HH2      ARG  35  -2.601  -0.398  -0.105
  269   2HH2  ARG  35          2HH2      ARG  35  -2.803  -0.740  -1.791
  270    H    ASN  36           H        ASN  36   0.966  -3.398   4.121
  271    HA   ASN  36           HA       ASN  36   1.676  -5.832   2.702
  272   1HB   ASN  36          2HB       ASN  36   2.721  -5.073   4.917
  273   2HB   ASN  36          1HB       ASN  36   1.210  -5.573   5.669
  274   1HD2  ASN  36          1HD2      ASN  36   1.890  -7.292   6.805
  275   2HD2  ASN  36          2HD2      ASN  36   2.588  -8.711   6.111
  276    H    GLN  37           H        GLN  37  -1.123  -4.292   3.921
  277    HA   GLN  37           HA       GLN  37  -2.638  -6.808   3.675
  278   1HB   GLN  37          2HB       GLN  37  -3.046  -4.451   5.505
  279   2HB   GLN  37          1HB       GLN  37  -4.342  -5.587   5.158
  280   1HG   GLN  37          2HG       GLN  37  -3.403  -6.319   7.167
  281   2HG   GLN  37          1HG       GLN  37  -2.760  -7.407   5.939
  282   1HE2  GLN  37          1HE2      GLN  37  -1.181  -7.783   7.700
  283   2HE2  GLN  37          2HE2      GLN  37   0.205  -6.755   7.776
  284    H    LYS  38           H        LYS  38  -4.653  -6.729   2.624
  285    HA   LYS  38           HA       LYS  38  -5.105  -4.300   1.015
  286   1HB   LYS  38          2HB       LYS  38  -5.935  -5.771  -0.786
  287   2HB   LYS  38          1HB       LYS  38  -4.245  -6.066  -0.406
  288   1HG   LYS  38          2HG       LYS  38  -4.634  -8.187   0.125
  289   2HG   LYS  38          1HG       LYS  38  -6.013  -7.761   1.140
  290   1HD   LYS  38          2HD       LYS  38  -7.002  -9.042  -0.513
  291   2HD   LYS  38          1HD       LYS  38  -7.238  -7.404  -1.124
  292   1HE   LYS  38          2HE       LYS  38  -4.897  -7.895  -2.263
  293   2HE   LYS  38          1HE       LYS  38  -5.442  -9.563  -2.098
  294   1HZ   LYS  38          1HZ       LYS  38  -6.437  -7.450  -3.822
  295   2HZ   LYS  38          2HZ       LYS  38  -7.621  -8.431  -3.116
  296   3HZ   LYS  38          3HZ       LYS  38  -6.406  -9.124  -4.067
  297    H    CYS  39           H        CYS  39  -7.353  -4.049   0.242
  298    HA   CYS  39           HA       CYS  39  -9.214  -4.745   2.388
  299   1HB   CYS  39          2HB       CYS  39  -8.916  -2.360   1.585
  300   2HB   CYS  39          1HB       CYS  39  -9.691  -2.852   0.084
  301    H    CYS  40           H        CYS  40  -9.499  -6.949   1.758
  302    HA   CYS  40           HA       CYS  40 -10.283  -7.854  -0.750
  303   1HB   CYS  40          2HB       CYS  40  -9.755  -9.600   0.636
  304   2HB   CYS  40          1HB       CYS  40 -10.522  -8.865   2.033
  305    H    GLU  41           H        GLU  41 -12.355  -8.474  -1.578
  306    HA   GLU  41           HA       GLU  41 -14.338  -6.456  -1.193
  307   1HB   GLU  41          2HB       GLU  41 -13.700  -8.022  -3.281
  308   2HB   GLU  41          1HB       GLU  41 -15.048  -8.949  -2.637
  309   1HG   GLU  41          2HG       GLU  41 -16.312  -7.619  -3.900
  310   2HG   GLU  41          1HG       GLU  41 -16.065  -6.426  -2.626
  311    H    TYR  42           H        TYR  42 -15.526  -6.425   0.599
  312    HA   TYR  42           HA       TYR  42 -16.020  -8.183   2.484
  313   1HB   TYR  42          2HB       TYR  42 -18.139  -7.053   2.956
  314   2HB   TYR  42          1HB       TYR  42 -16.884  -5.901   2.519
  315    HD1  TYR  42           1HD      TYR  42 -20.171  -7.108   1.787
  316    HD2  TYR  42           2HD      TYR  42 -16.858  -5.021   0.123
  317    HE1  TYR  42           1HE      TYR  42 -21.637  -6.184   0.043
  318    HE2  TYR  42           2HE      TYR  42 -18.315  -4.092  -1.626
  319    HH   TYR  42           HH       TYR  42 -20.762  -3.612  -1.922
  Start of MODEL    7
    1   1H    ILE   1          1HT       ILE   1   2.529  12.914   1.262
    2   2H    ILE   1          2HT       ILE   1   3.558  12.812  -0.108
    3   3H    ILE   1          3HT       ILE   1   3.020  11.381   0.672
    4    HA   ILE   1           HA       ILE   1   1.655  13.163  -1.153
    5    HB   ILE   1           HB       ILE   1   2.501  10.942  -1.835
    6   1HG1  ILE   1          2HG1      ILE   1  -0.026  10.106  -2.421
    7   2HG1  ILE   1          1HG1      ILE   1  -0.321  11.790  -1.999
    8   1HG2  ILE   1          1HG2      ILE   1   1.556  10.096   0.618
    9   2HG2  ILE   1          2HG2      ILE   1   2.153   9.068  -0.682
   10   3HG2  ILE   1          3HG2      ILE   1   0.425   9.385  -0.533
   11   1HD1  ILE   1          1HD1      ILE   1   1.496  12.387  -3.639
   12   2HD1  ILE   1          2HD1      ILE   1   0.013  11.726  -4.327
   13   3HD1  ILE   1          3HD1      ILE   1   1.444  10.706  -4.170
   14    H    MET   2           H        MET   2  -0.191  14.113  -0.646
   15    HA   MET   2           HA       MET   2  -1.935  12.841   1.357
   16   1HB   MET   2          2HB       MET   2  -1.328  15.781   1.021
   17   2HB   MET   2          1HB       MET   2  -2.624  15.156   2.031
   18   1HG   MET   2          2HG       MET   2   0.116  14.117   2.485
   19   2HG   MET   2          1HG       MET   2  -0.249  15.760   3.007
   20   1HE   MET   2          1HE       MET   2   0.317  12.652   4.806
   21   2HE   MET   2          2HE       MET   2  -0.294  13.481   6.237
   22   3HE   MET   2          3HE       MET   2   0.761  14.332   5.109
   23    H    PHE   3           H        PHE   3  -4.153  12.981   1.016
   24    HA   PHE   3           HA       PHE   3  -6.073  13.035  -0.200
   25   1HB   PHE   3          2HB       PHE   3  -5.360  15.542  -0.144
   26   2HB   PHE   3          1HB       PHE   3  -4.964  15.291  -1.841
   27    HD1  PHE   3           1HD      PHE   3  -7.541  16.009   0.505
   28    HD2  PHE   3           2HD      PHE   3  -6.806  14.395  -3.363
   29    HE1  PHE   3           1HE      PHE   3  -9.898  16.383  -0.094
   30    HE2  PHE   3           2HE      PHE   3  -9.161  14.768  -3.971
   31    HZ   PHE   3           HZ       PHE   3 -10.710  15.763  -2.336
   32    H    PHE   4           H        PHE   4  -5.397  10.988  -1.123
   33    HA   PHE   4           HA       PHE   4  -4.615  11.196  -3.955
   34   1HB   PHE   4          2HB       PHE   4  -3.248   9.834  -2.135
   35   2HB   PHE   4          1HB       PHE   4  -4.458   8.604  -2.483
   36    HD1  PHE   4           1HD      PHE   4  -3.689   6.991  -3.906
   37    HD2  PHE   4           2HD      PHE   4  -2.483  11.023  -4.533
   38    HE1  PHE   4           1HE      PHE   4  -2.415   6.297  -5.893
   39    HE2  PHE   4           2HE      PHE   4  -1.207  10.337  -6.521
   40    HZ   PHE   4           HZ       PHE   4  -1.172   7.971  -7.204
   41    H    GLU   5           H        GLU   5  -5.695   9.892  -5.489
   42    HA   GLU   5           HA       GLU   5  -8.382   9.851  -5.488
   43   1HB   GLU   5          2HB       GLU   5  -6.299   8.565  -7.031
   44   2HB   GLU   5          1HB       GLU   5  -7.737   7.559  -6.947
   45   1HG   GLU   5          2HG       GLU   5  -8.035  10.441  -7.620
   46   2HG   GLU   5          1HG       GLU   5  -7.428   9.331  -8.847
   47    H    MET   6           H        MET   6  -6.280   7.457  -4.050
   48    HA   MET   6           HA       MET   6  -8.346   5.533  -3.561
   49   1HB   MET   6          2HB       MET   6  -5.562   5.820  -2.419
   50   2HB   MET   6          1HB       MET   6  -6.621   4.450  -2.115
   51   1HG   MET   6          2HG       MET   6  -6.691   4.156  -4.642
   52   2HG   MET   6          1HG       MET   6  -5.332   5.277  -4.689
   53   1HE   MET   6          1HE       MET   6  -4.611   2.382  -5.978
   54   2HE   MET   6          2HE       MET   6  -3.016   2.432  -5.226
   55   3HE   MET   6          3HE       MET   6  -3.771   3.922  -5.795
   56    H    GLN   7           H        GLN   7  -8.204   4.750  -1.014
   57    HA   GLN   7           HA       GLN   7  -8.135   6.589   1.011
   58   1HB   GLN   7          2HB       GLN   7 -10.264   7.216  -0.636
   59   2HB   GLN   7          1HB       GLN   7 -11.020   6.280   0.644
   60   1HG   GLN   7          2HG       GLN   7  -9.147   8.271   1.641
   61   2HG   GLN   7          1HG       GLN   7 -10.475   8.964   0.712
   62   1HE2  GLN   7          1HE2      GLN   7  -9.648   8.652   3.691
   63   2HE2  GLN   7          2HE2      GLN   7 -11.139   8.226   4.455
   64    H    ALA   8           H        ALA   8  -9.156   5.817   3.017
   65    HA   ALA   8           HA       ALA   8  -8.831   3.030   3.319
   66   1HB   ALA   8          1HB       ALA   8 -10.379   4.446   5.389
   67   2HB   ALA   8          2HB       ALA   8  -8.787   5.112   5.026
   68   3HB   ALA   8          3HB       ALA   8  -8.944   3.431   5.535
   69    H    CYS   9           H        CYS   9 -10.383   1.446   3.949
   70    HA   CYS   9           HA       CYS   9 -13.085   2.000   2.911
   71   1HB   CYS   9          2HB       CYS   9 -13.233  -0.370   2.337
   72   2HB   CYS   9          1HB       CYS   9 -11.826   0.361   1.573
   73    H    TRP  10           H        TRP  10 -11.874   2.208   5.714
   74    HA   TRP  10           HA       TRP  10 -12.839   0.213   7.371
   75   1HB   TRP  10          2HB       TRP  10 -12.490   3.167   7.885
   76   2HB   TRP  10          1HB       TRP  10 -12.865   1.999   9.146
   77    HD1  TRP  10           HD       TRP  10 -10.757  -0.180   7.605
   78    HE1  TRP  10           1HE      TRP  10  -8.266   0.102   8.185
   79    HE3  TRP  10           3HE      TRP  10 -10.881   4.599   9.419
   80    HZ2  TRP  10           2HZ      TRP  10  -6.576   2.087   9.267
   81    HZ3  TRP  10           3HZ      TRP  10  -8.784   5.616  10.206
   82    HH2  TRP  10           HH       TRP  10  -6.677   4.384  10.132
   83    H    SER  11           H        SER  11 -14.448   3.156   6.223
   84    HA   SER  11           HA       SER  11 -16.921   2.404   7.542
   85   1HB   SER  11          2HB       SER  11 -17.439   4.624   5.965
   86   2HB   SER  11          1HB       SER  11 -17.030   4.639   7.678
   87    HG   SER  11           HG       SER  11 -15.061   5.294   7.216
   88    H    HIS  12           H        HIS  12 -15.439   2.104   4.457
   89    HA   HIS  12           HA       HIS  12 -17.994   1.635   3.119
   90   1HB   HIS  12          2HB       HIS  12 -15.167   1.952   2.133
   91   2HB   HIS  12          1HB       HIS  12 -16.443   1.332   1.089
   92    HD1  HIS  12           1HD      HIS  12 -18.674   3.312   2.184
   93    HD2  HIS  12           2HD      HIS  12 -14.891   4.376   0.834
   94    HE1  HIS  12           1HE      HIS  12 -18.862   5.722   1.487
   95    HE2  HIS  12           2HE      HIS  12 -16.584   6.317   0.592
   96    H    SER  13           H        SER  13 -16.772  -0.184   5.170
   97    HA   SER  13           HA       SER  13 -16.513  -2.411   5.546
   98   1HB   SER  13          2HB       SER  13 -18.758  -2.454   4.470
   99   2HB   SER  13          1HB       SER  13 -17.975  -2.713   2.912
  100    HG   SER  13           HG       SER  13 -18.591  -4.510   4.795
  101    H    GLY  14           H        GLY  14 -15.820  -4.581   4.305
  102   1HA   GLY  14          2HA       GLY  14 -14.405  -5.045   2.189
  103   2HA   GLY  14          1HA       GLY  14 -13.341  -3.846   2.906
  104    H    VAL  15           H        VAL  15 -12.390  -6.348   2.346
  105    HA   VAL  15           HA       VAL  15 -12.199  -7.605   5.008
  106    HB   VAL  15           HB       VAL  15 -11.654  -8.957   2.364
  107   1HG1  VAL  15          1HG1      VAL  15 -10.585 -10.323   3.813
  108   2HG1  VAL  15          2HG1      VAL  15 -12.216 -10.929   4.098
  109   3HG1  VAL  15          3HG1      VAL  15 -11.508  -9.752   5.203
  110   1HG2  VAL  15          1HG2      VAL  15 -13.898  -8.789   2.121
  111   2HG2  VAL  15          2HG2      VAL  15 -14.175  -8.530   3.844
  112   3HG2  VAL  15          3HG2      VAL  15 -13.890 -10.160   3.231
  113    H    CYS  16           H        CYS  16 -10.478  -6.275   5.680
  114    HA   CYS  16           HA       CYS  16  -8.111  -5.895   4.172
  115   1HB   CYS  16          2HB       CYS  16  -8.732  -4.385   5.987
  116   2HB   CYS  16          1HB       CYS  16  -8.572  -5.692   7.156
  117    H    ARG  17           H        ARG  17  -7.122  -7.711   3.459
  118    HA   ARG  17           HA       ARG  17  -6.225  -9.632   5.506
  119   1HB   ARG  17          2HB       ARG  17  -7.856 -10.208   3.381
  120   2HB   ARG  17          1HB       ARG  17  -6.270 -10.593   2.728
  121   1HG   ARG  17          2HG       ARG  17  -6.111 -12.455   3.936
  122   2HG   ARG  17          1HG       ARG  17  -6.653 -11.648   5.407
  123   1HD   ARG  17          2HD       ARG  17  -8.928 -11.795   3.817
  124   2HD   ARG  17          1HD       ARG  17  -8.121 -13.345   3.574
  125    HE   ARG  17           HE       ARG  17  -8.321 -12.571   6.334
  126   1HH1  ARG  17          1HH1      ARG  17  -9.951 -14.149   3.683
  127   2HH1  ARG  17          2HH1      ARG  17 -10.967 -15.102   4.711
  128   1HH2  ARG  17          1HH2      ARG  17  -9.656 -13.825   7.688
  129   2HH2  ARG  17          2HH2      ARG  17 -10.800 -14.918   6.985
  130    H    ASP  18           H        ASP  18  -4.430 -11.052   3.902
  131    HA   ASP  18           HA       ASP  18  -2.226  -9.182   3.859
  132   1HB   ASP  18          2HB       ASP  18  -2.246 -11.670   4.683
  133   2HB   ASP  18          1HB       ASP  18  -1.993 -12.039   2.980
  134    H    LYS  19           H        LYS  19  -1.138  -8.442   2.097
  135    HA   LYS  19           HA       LYS  19  -2.393  -8.100  -0.324
  136   1HB   LYS  19          2HB       LYS  19   0.547  -8.116   0.349
  137   2HB   LYS  19          1HB       LYS  19  -0.063  -7.655  -1.235
  138   1HG   LYS  19          2HG       LYS  19  -1.585  -6.113   0.415
  139   2HG   LYS  19          1HG       LYS  19  -0.051  -6.172   1.283
  140   1HD   LYS  19          2HD       LYS  19   1.134  -5.278  -0.571
  141   2HD   LYS  19          1HD       LYS  19  -0.251  -5.498  -1.644
  142   1HE   LYS  19          2HE       LYS  19  -0.767  -3.834   0.721
  143   2HE   LYS  19          1HE       LYS  19   0.403  -3.163  -0.414
  144   1HZ   LYS  19          1HZ       LYS  19  -1.561  -4.000  -2.049
  145   2HZ   LYS  19          2HZ       LYS  19  -1.406  -2.420  -1.467
  146   3HZ   LYS  19          3HZ       LYS  19  -2.447  -3.506  -0.695
  147    H    SER  20           H        SER  20  -0.498 -10.806   0.773
  148    HA   SER  20           HA       SER  20  -0.656 -12.047  -1.884
  149   1HB   SER  20          2HB       SER  20   1.564 -11.908  -0.629
  150   2HB   SER  20          1HB       SER  20   0.893 -13.099   0.485
  151    HG   SER  20           HG       SER  20   0.482 -14.364  -1.516
  152    H    GLU  21           H        GLU  21  -2.910 -11.768  -0.014
  153    HA   GLU  21           HA       GLU  21  -3.485 -14.155   1.320
  154   1HB   GLU  21          2HB       GLU  21  -4.722 -12.057   1.674
  155   2HB   GLU  21          1HB       GLU  21  -5.401 -12.185   0.059
  156   1HG   GLU  21          2HG       GLU  21  -6.882 -12.892   1.976
  157   2HG   GLU  21          1HG       GLU  21  -6.724 -14.030   0.643
  158    H    ARG  22           H        ARG  22  -3.713 -16.101   0.525
  159    HA   ARG  22           HA       ARG  22  -4.295 -16.500  -2.292
  160   1HB   ARG  22          2HB       ARG  22  -3.899 -18.740  -0.345
  161   2HB   ARG  22          1HB       ARG  22  -3.482 -18.669  -2.050
  162   1HG   ARG  22          2HG       ARG  22  -1.403 -18.470  -1.184
  163   2HG   ARG  22          1HG       ARG  22  -1.851 -16.762  -1.170
  164   1HD   ARG  22          2HD       ARG  22  -1.894 -16.668   1.073
  165   2HD   ARG  22          1HD       ARG  22  -2.686 -18.239   1.217
  166    HE   ARG  22           HE       ARG  22   0.080 -18.405   0.455
  167   1HH1  ARG  22          1HH1      ARG  22  -2.137 -18.181   3.141
  168   2HH1  ARG  22          2HH1      ARG  22  -1.037 -18.895   4.271
  169   1HH2  ARG  22          1HH2      ARG  22   1.528 -19.344   1.940
  170   2HH2  ARG  22          2HH2      ARG  22   1.045 -19.556   3.589
  171    H    ASN  23           H        ASN  23  -6.277 -15.764   0.000
  172    HA   ASN  23           HA       ASN  23  -8.443 -17.383  -1.050
  173   1HB   ASN  23          2HB       ASN  23  -7.271 -18.211   1.272
  174   2HB   ASN  23          1HB       ASN  23  -8.525 -17.141   1.886
  175   1HD2  ASN  23          1HD2      ASN  23  -7.805 -20.163   0.489
  176   2HD2  ASN  23          2HD2      ASN  23  -9.416 -20.780   0.422
  177    H    CYS  24           H        CYS  24  -7.857 -14.723  -1.511
  178    HA   CYS  24           HA       CYS  24  -9.715 -13.217   0.189
  179   1HB   CYS  24          2HB       CYS  24  -7.200 -12.576  -0.600
  180   2HB   CYS  24          1HB       CYS  24  -8.141 -11.791  -1.862
  181    H    LYS  25           H        LYS  25 -10.861 -11.391  -1.075
  182    HA   LYS  25           HA       LYS  25 -12.189 -12.628  -3.386
  183   1HB   LYS  25          2HB       LYS  25 -13.095 -10.984  -1.128
  184   2HB   LYS  25          1HB       LYS  25 -13.738 -10.469  -2.681
  185   1HG   LYS  25          2HG       LYS  25 -15.320 -11.996  -2.342
  186   2HG   LYS  25          1HG       LYS  25 -14.087 -13.184  -2.771
  187   1HD   LYS  25          2HD       LYS  25 -13.580 -13.614  -0.498
  188   2HD   LYS  25          1HD       LYS  25 -14.488 -12.202   0.046
  189   1HE   LYS  25          2HE       LYS  25 -16.535 -13.224  -0.296
  190   2HE   LYS  25          1HE       LYS  25 -15.879 -14.379  -1.455
  191   1HZ   LYS  25          1HZ       LYS  25 -14.589 -15.276   0.546
  192   2HZ   LYS  25          2HZ       LYS  25 -16.238 -15.635   0.442
  193   3HZ   LYS  25          3HZ       LYS  25 -15.702 -14.420   1.490
  194    HA   PRO  26           HA       PRO  26 -10.863  -9.533  -6.218
  195   1HB   PRO  26          2HB       PRO  26 -13.141  -8.671  -7.445
  196   2HB   PRO  26          1HB       PRO  26 -12.392 -10.237  -7.771
  197   1HG   PRO  26          2HG       PRO  26 -14.709  -9.577  -5.996
  198   2HG   PRO  26          1HG       PRO  26 -14.513 -10.933  -7.123
  199   1HD   PRO  26          2HD       PRO  26 -14.158 -11.212  -4.463
  200   2HD   PRO  26          1HD       PRO  26 -13.208 -12.136  -5.644
  201    H    MET  27           H        MET  27 -10.093  -7.964  -4.768
  202    HA   MET  27           HA       MET  27 -11.637  -6.065  -3.420
  203   1HB   MET  27          2HB       MET  27  -9.580  -4.769  -3.210
  204   2HB   MET  27          1HB       MET  27  -9.270  -6.475  -2.915
  205   1HG   MET  27          2HG       MET  27  -7.915  -6.675  -4.690
  206   2HG   MET  27          1HG       MET  27  -8.900  -5.611  -5.694
  207   1HE   MET  27          1HE       MET  27  -8.387  -3.082  -6.098
  208   2HE   MET  27          2HE       MET  27  -7.645  -2.083  -4.850
  209   3HE   MET  27          3HE       MET  27  -9.142  -2.951  -4.509
  210    H    ALA  28           H        ALA  28 -11.483  -3.686  -3.836
  211    HA   ALA  28           HA       ALA  28 -11.489  -2.906  -6.639
  212   1HB   ALA  28          1HB       ALA  28 -13.916  -2.620  -4.867
  213   2HB   ALA  28          2HB       ALA  28 -13.786  -3.574  -6.345
  214   3HB   ALA  28          3HB       ALA  28 -13.711  -1.813  -6.421
  215    H    TRP  29           H        TRP  29 -10.064  -1.288  -6.570
  216    HA   TRP  29           HA       TRP  29  -8.798   0.424  -5.743
  217   1HB   TRP  29          2HB       TRP  29  -9.913   2.428  -5.989
  218   2HB   TRP  29          1HB       TRP  29 -10.976   1.332  -6.851
  219    HD1  TRP  29           HD       TRP  29 -13.146   0.411  -5.239
  220    HE1  TRP  29           1HE      TRP  29 -14.608   1.826  -3.665
  221    HE3  TRP  29           3HE      TRP  29 -10.015   4.401  -4.582
  222    HZ2  TRP  29           2HZ      TRP  29 -14.458   4.303  -2.325
  223    HZ3  TRP  29           3HZ      TRP  29 -10.755   6.255  -3.143
  224    HH2  TRP  29           HH       TRP  29 -12.932   6.206  -2.040
  225    H    THR  30           H        THR  30  -9.523   2.444  -3.827
  226    HA   THR  30           HA       THR  30  -9.153   2.859  -1.616
  227    HB   THR  30           HB       THR  30 -10.526   1.251  -0.071
  228    HG1  THR  30           1HG      THR  30 -11.786   0.689  -2.534
  229   1HG2  THR  30          1HG2      THR  30 -12.684   2.314  -1.366
  230   2HG2  THR  30          2HG2      THR  30 -11.376   3.410  -1.806
  231   3HG2  THR  30          3HG2      THR  30 -11.736   3.105  -0.107
  232    H    TYR  31           H        TYR  31  -8.673   1.609   0.609
  233    HA   TYR  31           HA       TYR  31  -7.032  -0.741   0.249
  234   1HB   TYR  31          2HB       TYR  31  -5.066   0.466   1.381
  235   2HB   TYR  31          1HB       TYR  31  -5.328   0.770  -0.331
  236    HD1  TYR  31           1HD      TYR  31  -5.069   2.957  -0.993
  237    HD2  TYR  31           2HD      TYR  31  -6.519   2.177   2.929
  238    HE1  TYR  31           1HE      TYR  31  -5.153   5.374  -0.549
  239    HE2  TYR  31           2HE      TYR  31  -6.610   4.591   3.383
  240    HH   TYR  31           HH       TYR  31  -5.060   6.794   1.934
  241    H    CYS  32           H        CYS  32  -5.797  -1.082   2.501
  242    HA   CYS  32           HA       CYS  32  -7.915  -1.035   4.497
  243   1HB   CYS  32          2HB       CYS  32  -6.782  -3.154   4.130
  244   2HB   CYS  32          1HB       CYS  32  -5.222  -2.412   4.464
  245    H    GLU  33           H        GLU  33  -4.396  -0.633   4.830
  246    HA   GLU  33           HA       GLU  33  -4.421   2.003   5.757
  247   1HB   GLU  33          2HB       GLU  33  -4.025   1.580   8.190
  248   2HB   GLU  33          1HB       GLU  33  -5.666   1.240   7.660
  249   1HG   GLU  33          2HG       GLU  33  -5.415  -0.678   8.760
  250   2HG   GLU  33          1HG       GLU  33  -4.482  -1.188   7.354
  251    H    ASN  34           H        ASN  34  -2.943  -1.184   6.081
  252    HA   ASN  34           HA       ASN  34  -0.288   0.082   6.083
  253   1HB   ASN  34          2HB       ASN  34  -0.962  -1.544   7.945
  254   2HB   ASN  34          1HB       ASN  34  -0.858  -2.809   6.723
  255   1HD2  ASN  34          1HD2      ASN  34   0.854  -0.771   8.852
  256   2HD2  ASN  34          2HD2      ASN  34   2.447  -1.309   8.455
  257    H    ARG  35           H        ARG  35   1.306  -0.615   4.631
  258    HA   ARG  35           HA       ARG  35   0.380  -1.321   2.068
  259   1HB   ARG  35          2HB       ARG  35   3.123  -1.070   3.270
  260   2HB   ARG  35          1HB       ARG  35   2.864  -1.474   1.584
  261   1HG   ARG  35          2HG       ARG  35   1.664   0.977   2.810
  262   2HG   ARG  35          1HG       ARG  35   3.306   0.965   2.168
  263   1HD   ARG  35          2HD       ARG  35   2.080   1.702   0.352
  264   2HD   ARG  35          1HD       ARG  35   2.192  -0.031   0.045
  265    HE   ARG  35           HE       ARG  35  -0.146   0.518   1.517
  266   1HH1  ARG  35          1HH1      ARG  35   1.196   0.934  -1.678
  267   2HH1  ARG  35          2HH1      ARG  35  -0.347   0.918  -2.464
  268   1HH2  ARG  35          1HH2      ARG  35  -2.176   0.496   0.485
  269   2HH2  ARG  35          2HH2      ARG  35  -2.261   0.669  -1.236
  270    H    ASN  36           H        ASN  36   0.975  -3.235   4.722
  271    HA   ASN  36           HA       ASN  36   1.887  -5.554   3.227
  272   1HB   ASN  36          2HB       ASN  36   2.689  -4.966   5.575
  273   2HB   ASN  36          1HB       ASN  36   1.103  -5.481   6.140
  274   1HD2  ASN  36          1HD2      ASN  36   4.204  -6.454   5.139
  275   2HD2  ASN  36          2HD2      ASN  36   3.963  -8.161   5.255
  276    H    GLN  37           H        GLN  37  -1.053  -4.172   4.378
  277    HA   GLN  37           HA       GLN  37  -2.492  -6.622   3.593
  278   1HB   GLN  37          2HB       GLN  37  -3.104  -4.681   5.820
  279   2HB   GLN  37          1HB       GLN  37  -4.290  -5.823   5.203
  280   1HG   GLN  37          2HG       GLN  37  -3.467  -7.439   6.463
  281   2HG   GLN  37          1HG       GLN  37  -1.853  -7.199   5.797
  282   1HE2  GLN  37          1HE2      GLN  37  -1.047  -7.726   7.890
  283   2HE2  GLN  37          2HE2      GLN  37  -1.027  -6.540   9.145
  284    H    LYS  38           H        LYS  38  -4.326  -6.383   2.338
  285    HA   LYS  38           HA       LYS  38  -4.863  -3.653   1.364
  286   1HB   LYS  38          2HB       LYS  38  -5.273  -4.550  -0.847
  287   2HB   LYS  38          1HB       LYS  38  -3.670  -5.029  -0.307
  288   1HG   LYS  38          2HG       LYS  38  -4.157  -7.191  -0.474
  289   2HG   LYS  38          1HG       LYS  38  -5.680  -6.995   0.395
  290   1HD   LYS  38          2HD       LYS  38  -6.589  -7.544  -1.595
  291   2HD   LYS  38          1HD       LYS  38  -6.308  -5.843  -1.968
  292   1HE   LYS  38          2HE       LYS  38  -4.261  -6.358  -3.089
  293   2HE   LYS  38          1HE       LYS  38  -4.321  -8.033  -2.544
  294   1HZ   LYS  38          1HZ       LYS  38  -5.904  -6.704  -4.635
  295   2HZ   LYS  38          2HZ       LYS  38  -6.558  -8.037  -3.826
  296   3HZ   LYS  38          3HZ       LYS  38  -5.106  -8.196  -4.679
  297    H    CYS  39           H        CYS  39  -7.022  -3.258   0.578
  298    HA   CYS  39           HA       CYS  39  -9.012  -4.584   2.216
  299   1HB   CYS  39          2HB       CYS  39  -8.891  -2.076   1.891
  300   2HB   CYS  39          1HB       CYS  39  -9.444  -2.340   0.241
  301    H    CYS  40           H        CYS  40 -10.073  -6.322   1.517
  302    HA   CYS  40           HA       CYS  40 -10.221  -6.852  -1.349
  303   1HB   CYS  40          2HB       CYS  40 -10.054  -8.455   1.064
  304   2HB   CYS  40          1HB       CYS  40 -11.346  -9.003   0.007
  305    H    GLU  41           H        GLU  41 -12.328  -8.150  -1.926
  306    HA   GLU  41           HA       GLU  41 -14.472  -6.298  -1.734
  307   1HB   GLU  41          2HB       GLU  41 -13.824  -8.295  -3.468
  308   2HB   GLU  41          1HB       GLU  41 -15.131  -9.049  -2.565
  309   1HG   GLU  41          2HG       GLU  41 -16.259  -6.675  -3.062
  310   2HG   GLU  41          1HG       GLU  41 -15.185  -6.786  -4.456
  311    H    TYR  42           H        TYR  42 -15.441  -5.987   0.176
  312    HA   TYR  42           HA       TYR  42 -15.631  -7.409   2.377
  313   1HB   TYR  42          2HB       TYR  42 -18.019  -6.416   2.621
  314   2HB   TYR  42          1HB       TYR  42 -16.640  -5.330   2.500
  315    HD1  TYR  42           1HD      TYR  42 -19.079  -7.059   0.250
  316    HD2  TYR  42           2HD      TYR  42 -16.830  -3.540   1.059
  317    HE1  TYR  42           1HE      TYR  42 -20.135  -5.950  -1.673
  318    HE2  TYR  42           2HE      TYR  42 -17.880  -2.420  -0.862
  319    HH   TYR  42           HH       TYR  42 -18.981  -3.184  -3.063
  Start of MODEL    8
    1   1H    ILE   1          1HT       ILE   1   1.268  18.522   2.383
    2   2H    ILE   1          2HT       ILE   1   1.920  18.126   0.846
    3   3H    ILE   1          3HT       ILE   1   2.486  17.323   2.253
    4    HA   ILE   1           HA       ILE   1   0.879  16.131   0.749
    5    HB   ILE   1           HB       ILE   1  -0.297  15.141   2.720
    6   1HG1  ILE   1          2HG1      ILE   1   1.341  16.731   4.598
    7   2HG1  ILE   1          1HG1      ILE   1  -0.016  17.585   3.869
    8   1HG2  ILE   1          1HG2      ILE   1   2.503  15.374   3.615
    9   2HG2  ILE   1          2HG2      ILE   1   2.259  14.864   1.944
   10   3HG2  ILE   1          3HG2      ILE   1   1.537  13.941   3.262
   11   1HD1  ILE   1          1HD1      ILE   1  -1.239  15.312   4.607
   12   2HD1  ILE   1          2HD1      ILE   1  -1.119  16.741   5.633
   13   3HD1  ILE   1          3HD1      ILE   1   0.016  15.407   5.843
   14    H    MET   2           H        MET   2  -1.169  16.006  -0.021
   15    HA   MET   2           HA       MET   2  -3.423  17.270   1.071
   16   1HB   MET   2          2HB       MET   2  -3.725  19.015  -0.745
   17   2HB   MET   2          1HB       MET   2  -2.518  19.378   0.480
   18   1HG   MET   2          2HG       MET   2  -1.019  18.112  -1.403
   19   2HG   MET   2          1HG       MET   2  -2.217  18.940  -2.395
   20   1HE   MET   2          1HE       MET   2  -0.319  20.291  -3.569
   21   2HE   MET   2          2HE       MET   2  -0.165  21.953  -3.000
   22   3HE   MET   2          3HE       MET   2  -1.763  21.261  -3.281
   23    H    PHE   3           H        PHE   3  -5.321  16.837  -0.097
   24    HA   PHE   3           HA       PHE   3  -6.679  15.661  -1.490
   25   1HB   PHE   3          2HB       PHE   3  -4.560  16.682  -3.185
   26   2HB   PHE   3          1HB       PHE   3  -5.168  15.145  -3.790
   27    HD1  PHE   3           1HD      PHE   3  -6.476  15.646  -5.624
   28    HD2  PHE   3           2HD      PHE   3  -6.938  17.922  -2.059
   29    HE1  PHE   3           1HE      PHE   3  -8.408  16.801  -6.616
   30    HE2  PHE   3           2HE      PHE   3  -8.873  19.081  -3.043
   31    HZ   PHE   3           HZ       PHE   3  -9.610  18.521  -5.325
   32    H    PHE   4           H        PHE   4  -7.173  13.535  -1.994
   33    HA   PHE   4           HA       PHE   4  -5.206  11.500  -2.277
   34   1HB   PHE   4          2HB       PHE   4  -5.533  12.225   0.330
   35   2HB   PHE   4          1HB       PHE   4  -6.730  10.943   0.186
   36    HD1  PHE   4           1HD      PHE   4  -3.232  11.526  -0.991
   37    HD2  PHE   4           2HD      PHE   4  -6.002   8.892   0.879
   38    HE1  PHE   4           1HE      PHE   4  -1.453   9.846  -0.734
   39    HE2  PHE   4           2HE      PHE   4  -4.228   7.207   1.141
   40    HZ   PHE   4           HZ       PHE   4  -1.950   7.684   0.334
   41    H    GLU   5           H        GLU   5  -6.586  11.185  -4.100
   42    HA   GLU   5           HA       GLU   5  -9.242  10.794  -4.248
   43   1HB   GLU   5          2HB       GLU   5  -7.635  10.667  -6.145
   44   2HB   GLU   5          1HB       GLU   5  -7.219   9.037  -5.634
   45   1HG   GLU   5          2HG       GLU   5  -9.994   9.037  -5.838
   46   2HG   GLU   5          1HG       GLU   5  -9.429   9.956  -7.232
   47    H    MET   6           H        MET   6  -6.897   8.543  -2.935
   48    HA   MET   6           HA       MET   6  -8.838   6.422  -2.632
   49   1HB   MET   6          2HB       MET   6  -5.981   6.699  -1.691
   50   2HB   MET   6          1HB       MET   6  -6.965   5.265  -1.433
   51   1HG   MET   6          2HG       MET   6  -6.601   6.324  -4.194
   52   2HG   MET   6          1HG       MET   6  -5.313   5.388  -3.436
   53   1HE   MET   6          1HE       MET   6  -5.081   3.840  -4.890
   54   2HE   MET   6          2HE       MET   6  -6.342   3.112  -5.887
   55   3HE   MET   6          3HE       MET   6  -5.756   2.269  -4.453
   56    H    GLN   7           H        GLN   7  -8.598   5.331  -0.274
   57    HA   GLN   7           HA       GLN   7  -8.391   6.871   1.991
   58   1HB   GLN   7          2HB       GLN   7 -10.463   7.918   0.739
   59   2HB   GLN   7          1HB       GLN   7 -11.307   6.541   1.430
   60   1HG   GLN   7          2HG       GLN   7 -11.567   8.453   2.858
   61   2HG   GLN   7          1HG       GLN   7 -10.576   7.240   3.668
   62   1HE2  GLN   7          1HE2      GLN   7 -10.409   9.618   4.728
   63   2HE2  GLN   7          2HE2      GLN   7  -8.948  10.434   4.300
   64    H    ALA   8           H        ALA   8  -9.240   5.791   3.927
   65    HA   ALA   8           HA       ALA   8  -8.807   3.032   3.873
   66   1HB   ALA   8          1HB       ALA   8  -9.863   3.091   6.182
   67   2HB   ALA   8          2HB       ALA   8 -10.094   4.819   5.917
   68   3HB   ALA   8          3HB       ALA   8  -8.468   4.138   5.923
   69    H    CYS   9           H        CYS   9 -10.185   1.255   4.039
   70    HA   CYS   9           HA       CYS   9 -12.832   1.693   2.883
   71   1HB   CYS   9          2HB       CYS   9 -12.809  -0.794   2.570
   72   2HB   CYS   9          1HB       CYS   9 -11.514   0.053   1.732
   73    H    TRP  10           H        TRP  10 -11.995   2.058   5.815
   74    HA   TRP  10           HA       TRP  10 -13.147   0.107   7.409
   75   1HB   TRP  10          2HB       TRP  10 -12.811   3.074   7.826
   76   2HB   TRP  10          1HB       TRP  10 -13.451   2.010   9.074
   77    HD1  TRP  10           HD       TRP  10 -11.403  -0.436   8.543
   78    HE1  TRP  10           1HE      TRP  10  -8.965  -0.183   9.328
   79    HE3  TRP  10           3HE      TRP  10 -11.170   4.663   8.840
   80    HZ2  TRP  10           2HZ      TRP  10  -7.179   1.901   9.986
   81    HZ3  TRP  10           3HZ      TRP  10  -9.059   5.707   9.556
   82    HH2  TRP  10           HH       TRP  10  -7.107   4.354  10.117
   83    H    SER  11           H        SER  11 -14.603   2.956   5.902
   84    HA   SER  11           HA       SER  11 -17.227   2.252   6.941
   85   1HB   SER  11          2HB       SER  11 -16.097   4.665   6.501
   86   2HB   SER  11          1HB       SER  11 -16.962   4.456   4.979
   87    HG   SER  11           HG       SER  11 -18.857   4.405   6.045
   88    H    HIS  12           H        HIS  12 -15.361   1.805   4.091
   89    HA   HIS  12           HA       HIS  12 -17.717   1.242   2.461
   90   1HB   HIS  12          2HB       HIS  12 -14.875   1.843   1.922
   91   2HB   HIS  12          1HB       HIS  12 -15.621   0.678   0.832
   92    HD1  HIS  12           1HD      HIS  12 -17.994   3.176   2.044
   93    HD2  HIS  12           2HD      HIS  12 -15.298   2.832  -1.099
   94    HE1  HIS  12           1HE      HIS  12 -18.659   4.950   0.392
   95    HE2  HIS  12           2HE      HIS  12 -17.069   4.665  -1.542
   96    H    SER  13           H        SER  13 -16.760  -0.459   4.759
   97    HA   SER  13           HA       SER  13 -16.580  -2.663   5.283
   98   1HB   SER  13          2HB       SER  13 -17.658  -3.174   2.504
   99   2HB   SER  13          1HB       SER  13 -17.783  -4.230   3.910
  100    HG   SER  13           HG       SER  13 -19.240  -1.966   3.247
  101    H    GLY  14           H        GLY  14 -15.931  -4.930   3.891
  102   1HA   GLY  14          2HA       GLY  14 -14.259  -5.658   2.235
  103   2HA   GLY  14          1HA       GLY  14 -13.297  -4.269   2.721
  104    H    VAL  15           H        VAL  15 -12.411  -6.981   2.691
  105    HA   VAL  15           HA       VAL  15 -12.101  -7.505   5.576
  106    HB   VAL  15           HB       VAL  15 -11.684  -9.476   3.325
  107   1HG1  VAL  15          1HG1      VAL  15 -10.645  -9.573   5.824
  108   2HG1  VAL  15          2HG1      VAL  15 -11.043 -10.993   4.856
  109   3HG1  VAL  15          3HG1      VAL  15 -12.182 -10.404   6.068
  110   1HG2  VAL  15          1HG2      VAL  15 -13.946  -9.739   5.224
  111   2HG2  VAL  15          2HG2      VAL  15 -13.821 -10.230   3.535
  112   3HG2  VAL  15          3HG2      VAL  15 -14.092  -8.535   3.943
  113    H    CYS  16           H        CYS  16 -10.386  -6.022   5.800
  114    HA   CYS  16           HA       CYS  16  -8.086  -5.900   4.233
  115   1HB   CYS  16          2HB       CYS  16  -8.640  -4.190   5.878
  116   2HB   CYS  16          1HB       CYS  16  -8.414  -5.343   7.189
  117    H    ARG  17           H        ARG  17  -7.073  -7.749   3.691
  118    HA   ARG  17           HA       ARG  17  -6.061  -9.428   5.889
  119   1HB   ARG  17          2HB       ARG  17  -7.747 -10.274   3.933
  120   2HB   ARG  17          1HB       ARG  17  -6.192 -10.616   3.189
  121   1HG   ARG  17          2HG       ARG  17  -5.677 -11.719   5.511
  122   2HG   ARG  17          1HG       ARG  17  -7.436 -11.801   5.616
  123   1HD   ARG  17          2HD       ARG  17  -6.355 -12.671   3.040
  124   2HD   ARG  17          1HD       ARG  17  -5.828 -13.655   4.405
  125    HE   ARG  17           HE       ARG  17  -8.437 -13.575   3.253
  126   1HH1  ARG  17          1HH1      ARG  17  -6.705 -14.077   6.241
  127   2HH1  ARG  17          2HH1      ARG  17  -7.948 -15.059   6.942
  128   1HH2  ARG  17          1HH2      ARG  17 -10.072 -14.868   4.173
  129   2HH2  ARG  17          2HH2      ARG  17  -9.859 -15.509   5.768
  130    H    ASP  18           H        ASP  18  -4.310 -10.953   4.216
  131    HA   ASP  18           HA       ASP  18  -2.131  -9.056   4.034
  132   1HB   ASP  18          2HB       ASP  18  -2.094 -11.514   4.956
  133   2HB   ASP  18          1HB       ASP  18  -1.871 -11.938   3.262
  134    H    LYS  19           H        LYS  19  -0.975  -8.535   2.199
  135    HA   LYS  19           HA       LYS  19  -2.288  -8.150  -0.180
  136   1HB   LYS  19          2HB       LYS  19   0.536  -8.139   0.670
  137   2HB   LYS  19          1HB       LYS  19   0.269  -8.314  -1.060
  138   1HG   LYS  19          2HG       LYS  19  -1.394  -6.251   0.088
  139   2HG   LYS  19          1HG       LYS  19   0.319  -5.956   0.377
  140   1HD   LYS  19          2HD       LYS  19   0.738  -6.275  -2.046
  141   2HD   LYS  19          1HD       LYS  19  -1.002  -6.445  -2.293
  142   1HE   LYS  19          2HE       LYS  19   0.351  -4.019  -1.116
  143   2HE   LYS  19          1HE       LYS  19  -0.163  -4.172  -2.795
  144   1HZ   LYS  19          1HZ       LYS  19  -1.673  -3.297  -0.645
  145   2HZ   LYS  19          2HZ       LYS  19  -2.308  -4.807  -1.067
  146   3HZ   LYS  19          3HZ       LYS  19  -2.205  -3.580  -2.226
  147    H    SER  20           H        SER  20  -0.710 -11.007   0.958
  148    HA   SER  20           HA       SER  20  -0.859 -12.297  -1.655
  149   1HB   SER  20          2HB       SER  20   1.164 -12.564  -0.174
  150   2HB   SER  20          1HB       SER  20   0.148 -13.478   0.940
  151    HG   SER  20           HG       SER  20   0.588 -15.126  -0.273
  152    H    GLU  21           H        GLU  21  -3.271 -11.551  -0.178
  153    HA   GLU  21           HA       GLU  21  -4.484 -13.708   1.106
  154   1HB   GLU  21          2HB       GLU  21  -5.481 -11.563   1.305
  155   2HB   GLU  21          1HB       GLU  21  -5.593 -11.368  -0.437
  156   1HG   GLU  21          2HG       GLU  21  -7.055 -13.656   0.709
  157   2HG   GLU  21          1HG       GLU  21  -7.661 -12.053   1.121
  158    H    ARG  22           H        ARG  22  -4.824 -15.663   0.321
  159    HA   ARG  22           HA       ARG  22  -5.566 -15.949  -2.518
  160   1HB   ARG  22          2HB       ARG  22  -4.474 -18.252  -0.961
  161   2HB   ARG  22          1HB       ARG  22  -4.367 -17.918  -2.683
  162   1HG   ARG  22          2HG       ARG  22  -2.236 -17.427  -2.179
  163   2HG   ARG  22          1HG       ARG  22  -2.918 -15.866  -1.721
  164   1HD   ARG  22          2HD       ARG  22  -1.419 -16.742   0.008
  165   2HD   ARG  22          1HD       ARG  22  -3.075 -16.594   0.595
  166    HE   ARG  22           HE       ARG  22  -2.830 -19.180  -0.320
  167   1HH1  ARG  22          1HH1      ARG  22  -1.274 -17.197   2.096
  168   2HH1  ARG  22          2HH1      ARG  22  -0.904 -18.532   3.133
  169   1HH2  ARG  22          1HH2      ARG  22  -2.343 -20.937   1.045
  170   2HH2  ARG  22          2HH2      ARG  22  -1.510 -20.655   2.537
  171    H    ASN  23           H        ASN  23  -7.210 -15.596   0.049
  172    HA   ASN  23           HA       ASN  23  -8.930 -17.953  -0.365
  173   1HB   ASN  23          2HB       ASN  23  -7.654 -17.323   1.983
  174   2HB   ASN  23          1HB       ASN  23  -9.237 -16.588   2.215
  175   1HD2  ASN  23          1HD2      ASN  23  -7.565 -19.584   1.490
  176   2HD2  ASN  23          2HD2      ASN  23  -8.820 -20.636   2.039
  177    H    CYS  24           H        CYS  24  -8.746 -14.493   0.141
  178    HA   CYS  24           HA       CYS  24 -11.630 -14.190   0.016
  179   1HB   CYS  24          2HB       CYS  24  -9.644 -12.774   1.274
  180   2HB   CYS  24          1HB       CYS  24  -9.983 -11.767  -0.126
  181    H    LYS  25           H        LYS  25 -12.013 -11.915  -1.389
  182    HA   LYS  25           HA       LYS  25 -11.441 -12.780  -4.125
  183   1HB   LYS  25          2HB       LYS  25 -13.653 -11.388  -2.794
  184   2HB   LYS  25          1HB       LYS  25 -13.194 -10.672  -4.334
  185   1HG   LYS  25          2HG       LYS  25 -13.764 -12.558  -5.535
  186   2HG   LYS  25          1HG       LYS  25 -13.626 -13.619  -4.131
  187   1HD   LYS  25          2HD       LYS  25 -15.927 -13.452  -4.457
  188   2HD   LYS  25          1HD       LYS  25 -15.608 -12.265  -3.190
  189   1HE   LYS  25          2HE       LYS  25 -15.569 -10.487  -4.875
  190   2HE   LYS  25          1HE       LYS  25 -15.895 -11.677  -6.135
  191   1HZ   LYS  25          1HZ       LYS  25 -17.694 -10.510  -4.177
  192   2HZ   LYS  25          2HZ       LYS  25 -17.910 -12.161  -4.475
  193   3HZ   LYS  25          3HZ       LYS  25 -18.007 -11.053  -5.748
  194    HA   PRO  26           HA       PRO  26  -8.788  -9.421  -5.151
  195   1HB   PRO  26          2HB       PRO  26  -9.825  -8.393  -7.453
  196   2HB   PRO  26          1HB       PRO  26  -8.959  -9.931  -7.380
  197   1HG   PRO  26          2HG       PRO  26 -11.907  -9.418  -7.412
  198   2HG   PRO  26          1HG       PRO  26 -10.975 -10.645  -8.289
  199   1HD   PRO  26          2HD       PRO  26 -12.356 -11.225  -6.047
  200   2HD   PRO  26          1HD       PRO  26 -10.825 -12.029  -6.445
  201    H    MET  27           H        MET  27  -8.628  -7.559  -4.095
  202    HA   MET  27           HA       MET  27 -10.779  -6.050  -3.153
  203   1HB   MET  27          2HB       MET  27  -9.079  -4.307  -2.653
  204   2HB   MET  27          1HB       MET  27  -8.616  -5.908  -2.095
  205   1HG   MET  27          2HG       MET  27  -6.735  -5.807  -3.245
  206   2HG   MET  27          1HG       MET  27  -7.628  -5.539  -4.740
  207   1HE   MET  27          1HE       MET  27  -4.846  -3.250  -2.531
  208   2HE   MET  27          2HE       MET  27  -4.510  -3.383  -4.258
  209   3HE   MET  27          3HE       MET  27  -4.925  -4.822  -3.326
  210    H    ALA  28           H        ALA  28 -11.497  -3.933  -3.713
  211    HA   ALA  28           HA       ALA  28 -10.971  -3.142  -6.495
  212   1HB   ALA  28          1HB       ALA  28 -13.399  -2.519  -6.661
  213   2HB   ALA  28          2HB       ALA  28 -13.656  -3.404  -5.157
  214   3HB   ALA  28          3HB       ALA  28 -13.072  -4.250  -6.591
  215    H    TRP  29           H        TRP  29  -9.810  -1.330  -6.163
  216    HA   TRP  29           HA       TRP  29  -9.225   0.753  -5.488
  217   1HB   TRP  29          2HB       TRP  29 -10.761   2.227  -6.193
  218   2HB   TRP  29          1HB       TRP  29 -11.826   0.853  -6.446
  219    HD1  TRP  29           HD       TRP  29 -13.753   0.443  -4.593
  220    HE1  TRP  29           1HE      TRP  29 -14.861   2.052  -2.920
  221    HE3  TRP  29           3HE      TRP  29 -10.316   4.228  -4.708
  222    HZ2  TRP  29           2HZ      TRP  29 -14.349   4.592  -1.799
  223    HZ3  TRP  29           3HZ      TRP  29 -10.703   6.214  -3.307
  224    HH2  TRP  29           HH       TRP  29 -12.679   6.390  -1.884
  225    H    THR  30           H        THR  30  -9.589   2.475  -3.677
  226    HA   THR  30           HA       THR  30  -9.516   3.001  -1.464
  227    HB   THR  30           HB       THR  30 -10.892   0.667  -0.380
  228    HG1  THR  30           1HG      THR  30 -12.824   0.977  -1.452
  229   1HG2  THR  30          1HG2      THR  30 -11.075   3.590  -0.224
  230   2HG2  THR  30          2HG2      THR  30 -11.237   2.365   1.035
  231   3HG2  THR  30          3HG2      THR  30 -12.595   2.717  -0.034
  232    H    TYR  31           H        TYR  31  -8.590   2.251   0.628
  233    HA   TYR  31           HA       TYR  31  -6.928  -0.151   0.348
  234   1HB   TYR  31          2HB       TYR  31  -5.000   1.094   1.309
  235   2HB   TYR  31          1HB       TYR  31  -5.480   1.683  -0.279
  236    HD1  TYR  31           1HD      TYR  31  -5.723   3.963  -0.583
  237    HD2  TYR  31           2HD      TYR  31  -6.094   2.369   3.344
  238    HE1  TYR  31           1HE      TYR  31  -5.918   6.243   0.317
  239    HE2  TYR  31           2HE      TYR  31  -6.290   4.644   4.255
  240    HH   TYR  31           HH       TYR  31  -5.728   6.919   3.667
  241    H    CYS  32           H        CYS  32  -5.826  -0.672   2.491
  242    HA   CYS  32           HA       CYS  32  -7.861  -0.576   4.568
  243   1HB   CYS  32          2HB       CYS  32  -6.901  -2.745   4.073
  244   2HB   CYS  32          1HB       CYS  32  -5.275  -2.126   4.332
  245    H    GLU  33           H        GLU  33  -4.310  -0.230   4.559
  246    HA   GLU  33           HA       GLU  33  -4.238   2.289   5.774
  247   1HB   GLU  33          2HB       GLU  33  -5.106   0.471   7.602
  248   2HB   GLU  33          1HB       GLU  33  -3.369   0.391   7.862
  249   1HG   GLU  33          2HG       GLU  33  -3.812   3.085   7.771
  250   2HG   GLU  33          1HG       GLU  33  -5.279   2.487   8.546
  251    H    ASN  34           H        ASN  34  -2.621  -0.875   5.839
  252    HA   ASN  34           HA       ASN  34  -0.059   0.490   5.363
  253   1HB   ASN  34          2HB       ASN  34  -0.354  -1.093   7.357
  254   2HB   ASN  34          1HB       ASN  34  -0.392  -2.396   6.174
  255   1HD2  ASN  34          1HD2      ASN  34   1.517  -2.379   8.097
  256   2HD2  ASN  34          2HD2      ASN  34   3.060  -2.034   7.401
  257    H    ARG  35           H        ARG  35   1.320  -0.223   3.702
  258    HA   ARG  35           HA       ARG  35   0.013  -1.056   1.344
  259   1HB   ARG  35          2HB       ARG  35   2.886  -0.592   2.080
  260   2HB   ARG  35          1HB       ARG  35   2.419  -1.151   0.486
  261   1HG   ARG  35          2HG       ARG  35   1.175   1.301   1.646
  262   2HG   ARG  35          1HG       ARG  35   2.766   1.371   0.887
  263   1HD   ARG  35          2HD       ARG  35   1.461   1.822  -0.929
  264   2HD   ARG  35          1HD       ARG  35   1.511   0.064  -1.036
  265    HE   ARG  35           HE       ARG  35  -0.683   0.785   0.540
  266   1HH1  ARG  35          1HH1      ARG  35   0.389   1.034  -2.772
  267   2HH1  ARG  35          2HH1      ARG  35  -1.215   1.036  -3.423
  268   1HH2  ARG  35          1HH2      ARG  35  -2.794   0.786  -0.314
  269   2HH2  ARG  35          2HH2      ARG  35  -3.024   0.896  -2.028
  270    H    ASN  36           H        ASN  36   1.086  -2.841   3.926
  271    HA   ASN  36           HA       ASN  36   1.890  -5.170   2.389
  272   1HB   ASN  36          2HB       ASN  36   3.063  -4.555   4.503
  273   2HB   ASN  36          1HB       ASN  36   1.574  -4.884   5.383
  274   1HD2  ASN  36          1HD2      ASN  36   3.344  -6.539   2.787
  275   2HD2  ASN  36          2HD2      ASN  36   3.421  -8.069   3.586
  276    H    GLN  37           H        GLN  37  -0.947  -3.864   3.810
  277    HA   GLN  37           HA       GLN  37  -2.294  -6.477   3.641
  278   1HB   GLN  37          2HB       GLN  37  -2.910  -3.997   5.236
  279   2HB   GLN  37          1HB       GLN  37  -4.102  -5.266   4.993
  280   1HG   GLN  37          2HG       GLN  37  -3.265  -6.063   6.911
  281   2HG   GLN  37          1HG       GLN  37  -2.019  -6.733   5.859
  282   1HE2  GLN  37          1HE2      GLN  37  -0.166  -6.579   6.905
  283   2HE2  GLN  37          2HE2      GLN  37   0.435  -5.169   7.702
  284    H    LYS  38           H        LYS  38  -4.265  -6.661   2.547
  285    HA   LYS  38           HA       LYS  38  -4.939  -4.406   0.773
  286   1HB   LYS  38          2HB       LYS  38  -5.470  -6.018  -0.989
  287   2HB   LYS  38          1HB       LYS  38  -3.792  -6.167  -0.486
  288   1HG   LYS  38          2HG       LYS  38  -4.255  -8.357  -0.433
  289   2HG   LYS  38          1HG       LYS  38  -4.963  -7.982   1.139
  290   1HD   LYS  38          2HD       LYS  38  -6.676  -9.148   0.128
  291   2HD   LYS  38          1HD       LYS  38  -7.106  -7.481  -0.263
  292   1HE   LYS  38          2HE       LYS  38  -5.984  -7.746  -2.449
  293   2HE   LYS  38          1HE       LYS  38  -5.668  -9.435  -2.055
  294   1HZ   LYS  38          1HZ       LYS  38  -8.369  -8.212  -2.243
  295   2HZ   LYS  38          2HZ       LYS  38  -8.027  -9.844  -1.958
  296   3HZ   LYS  38          3HZ       LYS  38  -7.642  -9.148  -3.451
  297    H    CYS  39           H        CYS  39  -7.031  -3.822   0.711
  298    HA   CYS  39           HA       CYS  39  -8.870  -5.075   2.528
  299   1HB   CYS  39          2HB       CYS  39  -8.656  -2.560   1.958
  300   2HB   CYS  39          1HB       CYS  39  -9.618  -2.949   0.537
  301    H    CYS  40           H        CYS  40  -9.465  -7.079   1.832
  302    HA   CYS  40           HA       CYS  40  -9.993  -7.852  -0.794
  303   1HB   CYS  40          2HB       CYS  40  -9.786  -9.689   0.552
  304   2HB   CYS  40          1HB       CYS  40 -10.613  -8.927   1.901
  305    H    GLU  41           H        GLU  41 -11.992  -8.287  -1.870
  306    HA   GLU  41           HA       GLU  41 -13.777  -6.142  -1.908
  307   1HB   GLU  41          2HB       GLU  41 -13.285  -8.203  -3.572
  308   2HB   GLU  41          1HB       GLU  41 -14.785  -8.767  -2.849
  309   1HG   GLU  41          2HG       GLU  41 -16.024  -7.061  -3.753
  310   2HG   GLU  41          1HG       GLU  41 -14.637  -5.983  -3.895
  311    H    TYR  42           H        TYR  42 -15.067  -5.574  -0.286
  312    HA   TYR  42           HA       TYR  42 -15.859  -6.802   1.899
  313   1HB   TYR  42          2HB       TYR  42 -18.031  -5.442   1.719
  314   2HB   TYR  42          1HB       TYR  42 -16.505  -4.568   1.682
  315    HD1  TYR  42           1HD      TYR  42 -19.432  -5.598  -0.255
  316    HD2  TYR  42           2HD      TYR  42 -15.725  -3.514  -0.369
  317    HE1  TYR  42           1HE      TYR  42 -20.085  -4.564  -2.388
  318    HE2  TYR  42           2HE      TYR  42 -16.368  -2.473  -2.501
  319    HH   TYR  42           HH       TYR  42 -18.491  -1.925  -3.716
  Start of MODEL    9
    1   1H    ILE   1          1HT       ILE   1 -19.729  17.657  -5.651
    2   2H    ILE   1          2HT       ILE   1 -19.567  18.575  -4.211
    3   3H    ILE   1          3HT       ILE   1 -19.371  16.871  -4.171
    4    HA   ILE   1           HA       ILE   1 -17.536  17.295  -5.860
    5    HB   ILE   1           HB       ILE   1 -17.543  19.937  -4.404
    6   1HG1  ILE   1          2HG1      ILE   1 -19.406  19.901  -5.980
    7   2HG1  ILE   1          1HG1      ILE   1 -18.125  20.950  -6.581
    8   1HG2  ILE   1          1HG2      ILE   1 -15.688  18.533  -6.210
    9   2HG2  ILE   1          2HG2      ILE   1 -15.365  19.719  -4.946
   10   3HG2  ILE   1          3HG2      ILE   1 -15.924  20.251  -6.532
   11   1HD1  ILE   1          1HD1      ILE   1 -17.429  19.297  -8.159
   12   2HD1  ILE   1          2HD1      ILE   1 -19.172  19.520  -8.311
   13   3HD1  ILE   1          3HD1      ILE   1 -18.534  18.108  -7.469
   14    H    MET   2           H        MET   2 -16.809  15.600  -4.589
   15    HA   MET   2           HA       MET   2 -15.746  16.314  -1.939
   16   1HB   MET   2          2HB       MET   2 -17.214  14.039  -2.900
   17   2HB   MET   2          1HB       MET   2 -15.649  13.511  -2.298
   18   1HG   MET   2          2HG       MET   2 -17.150  13.381  -0.488
   19   2HG   MET   2          1HG       MET   2 -16.135  14.794  -0.198
   20   1HE   MET   2          1HE       MET   2 -19.343  14.427   1.263
   21   2HE   MET   2          2HE       MET   2 -19.261  13.279  -0.073
   22   3HE   MET   2          3HE       MET   2 -20.506  14.527  -0.060
   23    H    PHE   3           H        PHE   3 -14.956  13.977  -4.519
   24    HA   PHE   3           HA       PHE   3 -12.978  13.344  -5.446
   25   1HB   PHE   3          2HB       PHE   3 -12.945  15.845  -5.937
   26   2HB   PHE   3          1HB       PHE   3 -11.871  16.005  -4.552
   27    HD1  PHE   3           1HD      PHE   3  -9.697  14.682  -4.579
   28    HD2  PHE   3           2HD      PHE   3 -12.110  15.277  -8.032
   29    HE1  PHE   3           1HE      PHE   3  -7.769  14.153  -6.012
   30    HE2  PHE   3           2HE      PHE   3 -10.187  14.748  -9.472
   31    HZ   PHE   3           HZ       PHE   3  -8.012  14.185  -8.464
   32    H    PHE   4           H        PHE   4 -12.603  11.703  -3.928
   33    HA   PHE   4           HA       PHE   4 -10.785  12.375  -1.718
   34   1HB   PHE   4          2HB       PHE   4 -12.912  10.369  -2.088
   35   2HB   PHE   4          1HB       PHE   4 -11.461   9.765  -1.296
   36    HD1  PHE   4           1HD      PHE   4 -13.325  12.993  -1.127
   37    HD2  PHE   4           2HD      PHE   4 -11.775   9.629   0.967
   38    HE1  PHE   4           1HE      PHE   4 -14.083  13.973   0.999
   39    HE2  PHE   4           2HE      PHE   4 -12.531  10.602   3.098
   40    HZ   PHE   4           HZ       PHE   4 -13.687  12.777   3.115
   41    H    GLU   5           H        GLU   5  -8.706  12.071  -2.125
   42    HA   GLU   5           HA       GLU   5  -7.516  10.977  -4.273
   43   1HB   GLU   5          2HB       GLU   5  -6.659  11.975  -1.831
   44   2HB   GLU   5          1HB       GLU   5  -5.972  10.358  -1.890
   45   1HG   GLU   5          2HG       GLU   5  -4.307  11.326  -3.008
   46   2HG   GLU   5          1HG       GLU   5  -5.407  11.273  -4.384
   47    H    MET   6           H        MET   6  -7.983   9.216  -1.208
   48    HA   MET   6           HA       MET   6  -8.486   6.760  -2.640
   49   1HB   MET   6          2HB       MET   6  -5.937   7.255  -1.154
   50   2HB   MET   6          1HB       MET   6  -6.639   5.644  -1.138
   51   1HG   MET   6          2HG       MET   6  -6.727   6.214  -3.782
   52   2HG   MET   6          1HG       MET   6  -5.281   7.095  -3.294
   53   1HE   MET   6          1HE       MET   6  -5.935   2.965  -1.774
   54   2HE   MET   6          2HE       MET   6  -6.488   2.924  -3.448
   55   3HE   MET   6          3HE       MET   6  -7.174   4.094  -2.321
   56    H    GLN   7           H        GLN   7  -7.311   7.599   0.616
   57    HA   GLN   7           HA       GLN   7  -8.214   7.328   2.680
   58   1HB   GLN   7          2HB       GLN   7 -10.254   8.353   1.216
   59   2HB   GLN   7          1HB       GLN   7 -10.969   6.834   1.734
   60   1HG   GLN   7          2HG       GLN   7  -9.920   7.723   4.063
   61   2HG   GLN   7          1HG       GLN   7 -10.330   9.245   3.272
   62   1HE2  GLN   7          1HE2      GLN   7 -11.844   9.440   5.061
   63   2HE2  GLN   7          2HE2      GLN   7 -13.393   8.686   4.935
   64    H    ALA   8           H        ALA   8  -9.973   5.738   3.846
   65    HA   ALA   8           HA       ALA   8  -9.051   3.068   3.089
   66   1HB   ALA   8          1HB       ALA   8 -10.352   4.056   5.624
   67   2HB   ALA   8          2HB       ALA   8  -8.638   3.718   5.382
   68   3HB   ALA   8          3HB       ALA   8  -9.811   2.402   5.338
   69    H    CYS   9           H        CYS   9 -10.802   1.331   3.887
   70    HA   CYS   9           HA       CYS   9 -13.299   2.016   2.481
   71   1HB   CYS   9          2HB       CYS   9 -13.429  -0.537   2.146
   72   2HB   CYS   9          1HB       CYS   9 -12.277   0.365   1.168
   73    H    TRP  10           H        TRP  10 -12.632   2.310   5.364
   74    HA   TRP  10           HA       TRP  10 -13.760   0.341   6.945
   75   1HB   TRP  10          2HB       TRP  10 -13.941   3.305   7.489
   76   2HB   TRP  10          1HB       TRP  10 -13.942   2.001   8.672
   77    HD1  TRP  10           HD       TRP  10 -11.743   4.572   7.816
   78    HE1  TRP  10           1HE      TRP  10  -9.260   3.929   8.028
   79    HE3  TRP  10           3HE      TRP  10 -12.224  -0.517   7.883
   80    HZ2  TRP  10           2HZ      TRP  10  -7.711   1.577   8.201
   81    HZ3  TRP  10           3HZ      TRP  10 -10.193  -1.892   8.074
   82    HH2  TRP  10           HH       TRP  10  -7.983  -0.864   8.229
   83    H    SER  11           H        SER  11 -15.312   3.174   5.471
   84    HA   SER  11           HA       SER  11 -17.933   2.135   6.259
   85   1HB   SER  11          2HB       SER  11 -17.503   4.495   6.754
   86   2HB   SER  11          1HB       SER  11 -17.160   4.803   5.052
   87    HG   SER  11           HG       SER  11 -19.634   3.933   6.142
   88    H    HIS  12           H        HIS  12 -16.350   0.867   4.169
   89    HA   HIS  12           HA       HIS  12 -18.361   0.955   2.060
   90   1HB   HIS  12          2HB       HIS  12 -15.884   2.242   1.755
   91   2HB   HIS  12          1HB       HIS  12 -15.742   0.738   0.851
   92    HD1  HIS  12           1HD      HIS  12 -18.208   0.378  -0.629
   93    HD2  HIS  12           2HD      HIS  12 -16.724   4.189   0.104
   94    HE1  HIS  12           1HE      HIS  12 -19.257   1.855  -2.372
   95    HE2  HIS  12           2HE      HIS  12 -18.410   4.171  -1.858
   96    H    SER  13           H        SER  13 -17.596  -0.928   4.173
   97    HA   SER  13           HA       SER  13 -17.312  -3.161   4.483
   98   1HB   SER  13          2HB       SER  13 -17.966  -3.268   1.528
   99   2HB   SER  13          1HB       SER  13 -17.981  -4.647   2.626
  100    HG   SER  13           HG       SER  13 -19.557  -3.341   3.868
  101    H    GLY  14           H        GLY  14 -16.162  -5.199   3.260
  102   1HA   GLY  14          2HA       GLY  14 -14.220  -5.785   1.917
  103   2HA   GLY  14          1HA       GLY  14 -13.533  -4.224   2.339
  104    H    VAL  15           H        VAL  15 -12.256  -6.758   2.655
  105    HA   VAL  15           HA       VAL  15 -12.036  -6.853   5.595
  106    HB   VAL  15           HB       VAL  15 -11.448  -9.172   3.758
  107   1HG1  VAL  15          1HG1      VAL  15 -11.349  -8.697   6.676
  108   2HG1  VAL  15          2HG1      VAL  15 -10.346  -9.730   5.658
  109   3HG1  VAL  15          3HG1      VAL  15 -11.956 -10.265   6.141
  110   1HG2  VAL  15          1HG2      VAL  15 -13.572 -10.115   4.315
  111   2HG2  VAL  15          2HG2      VAL  15 -13.855  -8.487   3.696
  112   3HG2  VAL  15          3HG2      VAL  15 -13.925  -8.796   5.431
  113    H    CYS  16           H        CYS  16 -10.193  -5.980   6.236
  114    HA   CYS  16           HA       CYS  16  -7.979  -5.547   4.505
  115   1HB   CYS  16          2HB       CYS  16  -8.414  -3.989   6.294
  116   2HB   CYS  16          1HB       CYS  16  -8.279  -5.264   7.501
  117    H    ARG  17           H        ARG  17  -7.385  -7.602   3.738
  118    HA   ARG  17           HA       ARG  17  -6.129  -9.376   5.724
  119   1HB   ARG  17          2HB       ARG  17  -7.908  -9.892   3.553
  120   2HB   ARG  17          1HB       ARG  17  -6.368 -10.651   3.184
  121   1HG   ARG  17          2HG       ARG  17  -7.789 -11.032   5.803
  122   2HG   ARG  17          1HG       ARG  17  -8.052 -12.072   4.403
  123   1HD   ARG  17          2HD       ARG  17  -6.437 -13.162   5.743
  124   2HD   ARG  17          1HD       ARG  17  -5.561 -12.467   4.381
  125    HE   ARG  17           HE       ARG  17  -4.455 -11.077   5.835
  126   1HH1  ARG  17          1HH1      ARG  17  -7.165 -12.538   7.483
  127   2HH1  ARG  17          2HH1      ARG  17  -6.680 -11.971   9.045
  128   1HH2  ARG  17          1HH2      ARG  17  -3.818 -10.331   7.890
  129   2HH2  ARG  17          2HH2      ARG  17  -4.782 -10.716   9.276
  130    H    ASP  18           H        ASP  18  -4.583 -10.867   3.867
  131    HA   ASP  18           HA       ASP  18  -2.374  -9.029   3.537
  132   1HB   ASP  18          2HB       ASP  18  -2.109 -11.365   4.435
  133   2HB   ASP  18          1HB       ASP  18  -2.484 -11.965   2.822
  134    H    LYS  19           H        LYS  19  -1.464  -8.367   1.634
  135    HA   LYS  19           HA       LYS  19  -3.012  -7.937  -0.593
  136   1HB   LYS  19          2HB       LYS  19  -0.102  -7.892  -0.045
  137   2HB   LYS  19          1HB       LYS  19  -0.578  -7.931  -1.738
  138   1HG   LYS  19          2HG       LYS  19  -2.161  -6.010  -0.331
  139   2HG   LYS  19          1HG       LYS  19  -0.450  -5.712  -0.033
  140   1HD   LYS  19          2HD       LYS  19  -0.875  -4.481  -1.963
  141   2HD   LYS  19          1HD       LYS  19  -0.187  -5.983  -2.586
  142   1HE   LYS  19          2HE       LYS  19  -2.493  -6.827  -2.945
  143   2HE   LYS  19          1HE       LYS  19  -3.110  -5.253  -2.445
  144   1HZ   LYS  19          1HZ       LYS  19  -1.371  -5.794  -4.791
  145   2HZ   LYS  19          2HZ       LYS  19  -1.864  -4.256  -4.290
  146   3HZ   LYS  19          3HZ       LYS  19  -3.010  -5.377  -4.830
  147    H    SER  20           H        SER  20  -1.043 -10.709   0.184
  148    HA   SER  20           HA       SER  20  -1.667 -11.940  -2.403
  149   1HB   SER  20          2HB       SER  20   0.710 -11.888  -1.386
  150   2HB   SER  20          1HB       SER  20   0.120 -13.150  -0.305
  151    HG   SER  20           HG       SER  20   0.520 -13.216  -3.079
  152    H    GLU  21           H        GLU  21  -3.618 -11.587  -0.197
  153    HA   GLU  21           HA       GLU  21  -4.098 -13.950   1.195
  154   1HB   GLU  21          2HB       GLU  21  -5.270 -11.887   1.724
  155   2HB   GLU  21          1HB       GLU  21  -6.064 -11.901   0.156
  156   1HG   GLU  21          2HG       GLU  21  -7.471 -12.639   2.087
  157   2HG   GLU  21          1HG       GLU  21  -7.388 -13.770   0.737
  158    H    ARG  22           H        ARG  22  -4.343 -15.902   0.394
  159    HA   ARG  22           HA       ARG  22  -5.499 -16.258  -2.268
  160   1HB   ARG  22          2HB       ARG  22  -4.335 -18.479  -0.628
  161   2HB   ARG  22          1HB       ARG  22  -4.413 -18.317  -2.376
  162   1HG   ARG  22          2HG       ARG  22  -2.209 -17.886  -2.069
  163   2HG   ARG  22          1HG       ARG  22  -2.838 -16.247  -1.889
  164   1HD   ARG  22          2HD       ARG  22  -2.398 -16.177   0.333
  165   2HD   ARG  22          1HD       ARG  22  -2.755 -17.888   0.564
  166    HE   ARG  22           HE       ARG  22  -0.351 -17.502  -0.912
  167   1HH1  ARG  22          1HH1      ARG  22  -1.680 -17.454   2.314
  168   2HH1  ARG  22          2HH1      ARG  22  -0.169 -17.820   3.076
  169   1HH2  ARG  22          1HH2      ARG  22   1.638 -17.982   0.088
  170   2HH2  ARG  22          2HH2      ARG  22   1.715 -18.118   1.813
  171    H    ASN  23           H        ASN  23  -7.072 -15.688   0.241
  172    HA   ASN  23           HA       ASN  23  -8.951 -17.914  -0.082
  173   1HB   ASN  23          2HB       ASN  23  -7.387 -17.827   2.119
  174   2HB   ASN  23          1HB       ASN  23  -8.734 -16.834   2.664
  175   1HD2  ASN  23          1HD2      ASN  23  -7.820 -19.983   1.436
  176   2HD2  ASN  23          2HD2      ASN  23  -9.197 -20.831   2.046
  177    H    CYS  24           H        CYS  24  -8.565 -14.770  -0.537
  178    HA   CYS  24           HA       CYS  24 -11.354 -14.163   0.148
  179   1HB   CYS  24          2HB       CYS  24  -9.291 -13.070   1.490
  180   2HB   CYS  24          1HB       CYS  24  -9.410 -11.933   0.157
  181    H    LYS  25           H        LYS  25 -12.173 -12.241  -1.145
  182    HA   LYS  25           HA       LYS  25 -11.548 -12.692  -3.922
  183   1HB   LYS  25          2HB       LYS  25 -13.643 -11.208  -2.410
  184   2HB   LYS  25          1HB       LYS  25 -13.331 -10.724  -4.072
  185   1HG   LYS  25          2HG       LYS  25 -13.971 -13.543  -3.241
  186   2HG   LYS  25          1HG       LYS  25 -15.175 -12.376  -3.789
  187   1HD   LYS  25          2HD       LYS  25 -14.097 -12.199  -5.938
  188   2HD   LYS  25          1HD       LYS  25 -12.768 -13.228  -5.396
  189   1HE   LYS  25          2HE       LYS  25 -13.971 -15.132  -5.624
  190   2HE   LYS  25          1HE       LYS  25 -15.481 -14.362  -5.140
  191   1HZ   LYS  25          1HZ       LYS  25 -14.227 -13.784  -7.754
  192   2HZ   LYS  25          2HZ       LYS  25 -15.834 -13.548  -7.279
  193   3HZ   LYS  25          3HZ       LYS  25 -15.253 -15.114  -7.546
  194    HA   PRO  26           HA       PRO  26  -8.845  -9.362  -4.855
  195   1HB   PRO  26          2HB       PRO  26 -10.761  -8.376  -6.895
  196   2HB   PRO  26          1HB       PRO  26  -9.074  -8.867  -7.079
  197   1HG   PRO  26          2HG       PRO  26 -11.057 -10.425  -7.949
  198   2HG   PRO  26          1HG       PRO  26  -9.603 -11.119  -7.207
  199   1HD   PRO  26          2HD       PRO  26 -12.332 -10.735  -6.042
  200   2HD   PRO  26          1HD       PRO  26 -11.194 -12.085  -5.834
  201    H    MET  27           H        MET  27  -8.546  -7.606  -3.671
  202    HA   MET  27           HA       MET  27 -10.553  -6.181  -2.368
  203   1HB   MET  27          2HB       MET  27  -8.830  -4.588  -1.765
  204   2HB   MET  27          1HB       MET  27  -8.179  -6.219  -1.677
  205   1HG   MET  27          2HG       MET  27  -6.472  -5.395  -2.846
  206   2HG   MET  27          1HG       MET  27  -7.555  -5.514  -4.232
  207   1HE   MET  27          1HE       MET  27  -5.188  -4.076  -4.248
  208   2HE   MET  27          2HE       MET  27  -5.026  -2.563  -3.354
  209   3HE   MET  27          3HE       MET  27  -5.608  -2.547  -5.019
  210    H    ALA  28           H        ALA  28 -10.997  -3.832  -2.583
  211    HA   ALA  28           HA       ALA  28 -11.098  -2.991  -5.403
  212   1HB   ALA  28          1HB       ALA  28 -13.314  -2.562  -5.330
  213   2HB   ALA  28          2HB       ALA  28 -13.268  -2.054  -3.642
  214   3HB   ALA  28          3HB       ALA  28 -13.290  -3.771  -4.046
  215    H    TRP  29           H        TRP  29  -9.476  -1.515  -5.374
  216    HA   TRP  29           HA       TRP  29  -8.160   0.213  -4.681
  217   1HB   TRP  29          2HB       TRP  29  -9.209   2.260  -5.109
  218   2HB   TRP  29          1HB       TRP  29 -10.098   1.093  -6.066
  219    HD1  TRP  29           HD       TRP  29 -12.485   0.204  -4.765
  220    HE1  TRP  29           1HE      TRP  29 -14.213   1.678  -3.557
  221    HE3  TRP  29           3HE      TRP  29  -9.570   4.310  -3.879
  222    HZ2  TRP  29           2HZ      TRP  29 -14.327   4.244  -2.385
  223    HZ3  TRP  29           3HZ      TRP  29 -10.568   6.234  -2.714
  224    HH2  TRP  29           HH       TRP  29 -12.897   6.201  -1.983
  225    H    THR  30           H        THR  30  -8.860   2.504  -3.098
  226    HA   THR  30           HA       THR  30  -8.715   3.232  -0.945
  227    HB   THR  30           HB       THR  30 -10.195   2.375   0.639
  228    HG1  THR  30           1HG      THR  30  -9.655   0.342   1.013
  229   1HG2  THR  30          1HG2      THR  30 -12.223   1.566  -0.500
  230   2HG2  THR  30          2HG2      THR  30 -11.295   1.442  -1.995
  231   3HG2  THR  30          3HG2      THR  30 -11.534   3.015  -1.232
  232    H    TYR  31           H        TYR  31  -7.944   2.464   1.353
  233    HA   TYR  31           HA       TYR  31  -5.988   0.303   1.130
  234   1HB   TYR  31          2HB       TYR  31  -4.243   1.764   2.162
  235   2HB   TYR  31          1HB       TYR  31  -4.690   2.231   0.525
  236    HD1  TYR  31           1HD      TYR  31  -5.617   3.002   4.064
  237    HD2  TYR  31           2HD      TYR  31  -5.084   4.467   0.106
  238    HE1  TYR  31           1HE      TYR  31  -6.078   5.284   4.854
  239    HE2  TYR  31           2HE      TYR  31  -5.541   6.754   0.885
  240    HH   TYR  31           HH       TYR  31  -5.407   7.708   3.970
  241    H    CYS  32           H        CYS  32  -5.260  -0.530   3.136
  242    HA   CYS  32           HA       CYS  32  -7.206  -0.193   5.270
  243   1HB   CYS  32          2HB       CYS  32  -6.655  -2.463   4.617
  244   2HB   CYS  32          1HB       CYS  32  -4.942  -2.162   4.881
  245    H    GLU  33           H        GLU  33  -3.652  -0.276   5.002
  246    HA   GLU  33           HA       GLU  33  -3.224   2.031   6.545
  247   1HB   GLU  33          2HB       GLU  33  -4.087   0.567   8.361
  248   2HB   GLU  33          1HB       GLU  33  -2.764  -0.549   8.054
  249   1HG   GLU  33          2HG       GLU  33  -2.028   0.685   9.868
  250   2HG   GLU  33          1HG       GLU  33  -1.232   1.455   8.498
  251    H    ASN  34           H        ASN  34  -1.922  -1.188   5.826
  252    HA   ASN  34           HA       ASN  34   0.684   0.053   5.258
  253   1HB   ASN  34          2HB       ASN  34   0.470  -1.824   7.006
  254   2HB   ASN  34          1HB       ASN  34   0.215  -2.899   5.635
  255   1HD2  ASN  34          1HD2      ASN  34   2.439  -2.226   7.720
  256   2HD2  ASN  34          2HD2      ASN  34   3.873  -2.274   6.757
  257    H    ARG  35           H        ARG  35   1.814  -0.563   3.351
  258    HA   ARG  35           HA       ARG  35   0.178  -0.819   1.076
  259   1HB   ARG  35          2HB       ARG  35   3.154  -0.958   1.484
  260   2HB   ARG  35          1HB       ARG  35   2.405  -1.060  -0.098
  261   1HG   ARG  35          2HG       ARG  35   1.877   1.242   1.740
  262   2HG   ARG  35          1HG       ARG  35   3.272   1.211   0.661
  263   1HD   ARG  35          2HD       ARG  35   1.852   2.190  -0.788
  264   2HD   ARG  35          1HD       ARG  35   1.304   0.536  -1.061
  265    HE   ARG  35           HE       ARG  35  -0.247   1.351   0.992
  266   1HH1  ARG  35          1HH1      ARG  35   0.483   2.748  -2.122
  267   2HH1  ARG  35          2HH1      ARG  35  -1.049   3.542  -2.264
  268   1HH2  ARG  35          1HH2      ARG  35  -2.261   2.397   0.807
  269   2HH2  ARG  35          2HH2      ARG  35  -2.606   3.345  -0.601
  270    H    ASN  36           H        ASN  36   1.285  -3.129   3.207
  271    HA   ASN  36           HA       ASN  36   1.461  -5.271   1.248
  272   1HB   ASN  36          2HB       ASN  36   3.032  -5.130   3.205
  273   2HB   ASN  36          1HB       ASN  36   1.662  -5.471   4.257
  274   1HD2  ASN  36          1HD2      ASN  36   3.015  -7.299   4.885
  275   2HD2  ASN  36          2HD2      ASN  36   2.937  -8.749   3.950
  276    H    GLN  37           H        GLN  37  -0.832  -3.866   3.399
  277    HA   GLN  37           HA       GLN  37  -2.537  -6.224   3.430
  278   1HB   GLN  37          2HB       GLN  37  -2.529  -3.581   4.800
  279   2HB   GLN  37          1HB       GLN  37  -4.079  -4.383   4.589
  280   1HG   GLN  37          2HG       GLN  37  -3.531  -5.268   6.587
  281   2HG   GLN  37          1HG       GLN  37  -2.694  -6.435   5.565
  282   1HE2  GLN  37          1HE2      GLN  37  -0.409  -6.069   5.172
  283   2HE2  GLN  37          2HE2      GLN  37   0.546  -5.313   6.396
  284    H    LYS  38           H        LYS  38  -4.568  -6.351   2.474
  285    HA   LYS  38           HA       LYS  38  -5.170  -4.282   0.465
  286   1HB   LYS  38          2HB       LYS  38  -5.915  -6.019  -1.066
  287   2HB   LYS  38          1HB       LYS  38  -4.242  -6.297  -0.602
  288   1HG   LYS  38          2HG       LYS  38  -4.707  -8.261   0.358
  289   2HG   LYS  38          1HG       LYS  38  -6.190  -7.659   1.101
  290   1HD   LYS  38          2HD       LYS  38  -6.640  -9.437  -0.530
  291   2HD   LYS  38          1HD       LYS  38  -7.372  -7.906  -1.011
  292   1HE   LYS  38          2HE       LYS  38  -5.355  -7.514  -2.455
  293   2HE   LYS  38          1HE       LYS  38  -4.860  -9.167  -2.095
  294   1HZ   LYS  38          1HZ       LYS  38  -6.196  -9.886  -3.686
  295   2HZ   LYS  38          2HZ       LYS  38  -6.638  -8.297  -4.059
  296   3HZ   LYS  38          3HZ       LYS  38  -7.539  -9.183  -2.936
  297    H    CYS  39           H        CYS  39  -7.364  -3.901   0.012
  298    HA   CYS  39           HA       CYS  39  -9.144  -4.592   2.214
  299   1HB   CYS  39          2HB       CYS  39  -8.966  -2.235   1.498
  300   2HB   CYS  39          1HB       CYS  39  -9.558  -2.683  -0.097
  301    H    CYS  40           H        CYS  40  -9.263  -6.846   1.492
  302    HA   CYS  40           HA       CYS  40 -10.149  -7.867  -0.861
  303   1HB   CYS  40          2HB       CYS  40  -9.587  -9.354   0.901
  304   2HB   CYS  40          1HB       CYS  40 -10.824  -8.684   1.953
  305    H    GLU  41           H        GLU  41 -12.244  -8.592  -1.630
  306    HA   GLU  41           HA       GLU  41 -14.298  -6.566  -1.138
  307   1HB   GLU  41          2HB       GLU  41 -13.360  -7.619  -3.467
  308   2HB   GLU  41          1HB       GLU  41 -14.785  -8.614  -3.202
  309   1HG   GLU  41          2HG       GLU  41 -15.358  -5.822  -2.752
  310   2HG   GLU  41          1HG       GLU  41 -14.685  -6.093  -4.359
  311    H    TYR  42           H        TYR  42 -15.477  -7.112   0.607
  312    HA   TYR  42           HA       TYR  42 -16.026  -9.342   1.849
  313   1HB   TYR  42          2HB       TYR  42 -17.316  -6.861   1.619
  314   2HB   TYR  42          1HB       TYR  42 -18.551  -8.108   1.620
  315    HD1  TYR  42           1HD      TYR  42 -15.470  -7.130   3.483
  316    HD2  TYR  42           2HD      TYR  42 -19.347  -8.871   3.654
  317    HE1  TYR  42           1HE      TYR  42 -15.275  -7.309   5.928
  318    HE2  TYR  42           2HE      TYR  42 -19.165  -9.054   6.099
  319    HH   TYR  42           HH       TYR  42 -17.203  -9.212   7.791
  Start of MODEL   10
    1   1H    ILE   1          1HT       ILE   1   0.552  11.548   2.194
    2   2H    ILE   1          2HT       ILE   1   0.238  10.711   3.659
    3   3H    ILE   1          3HT       ILE   1   0.261  12.427   3.638
    4    HA   ILE   1           HA       ILE   1  -1.584  10.976   1.918
    5    HB   ILE   1           HB       ILE   1  -1.882   9.978   4.136
    6   1HG1  ILE   1          2HG1      ILE   1  -4.147  11.919   3.739
    7   2HG1  ILE   1          1HG1      ILE   1  -3.825  10.643   2.569
    8   1HG2  ILE   1          1HG2      ILE   1  -1.371  11.229   5.906
    9   2HG2  ILE   1          2HG2      ILE   1  -2.960  11.969   5.718
   10   3HG2  ILE   1          3HG2      ILE   1  -1.542  12.727   4.995
   11   1HD1  ILE   1          1HD1      ILE   1  -5.487  10.384   4.659
   12   2HD1  ILE   1          2HD1      ILE   1  -3.992   9.783   5.374
   13   3HD1  ILE   1          3HD1      ILE   1  -4.634   9.035   3.911
   14    H    MET   2           H        MET   2  -0.782  13.086   0.861
   15    HA   MET   2           HA       MET   2  -2.230  15.412   1.907
   16   1HB   MET   2          2HB       MET   2   0.295  15.077   0.618
   17   2HB   MET   2          1HB       MET   2  -0.718  16.076  -0.415
   18   1HG   MET   2          2HG       MET   2  -1.185  17.234   1.969
   19   2HG   MET   2          1HG       MET   2   0.461  16.653   2.216
   20   1HE   MET   2          1HE       MET   2   1.117  19.109   2.658
   21   2HE   MET   2          2HE       MET   2  -0.402  19.872   2.187
   22   3HE   MET   2          3HE       MET   2   1.114  20.400   1.457
   23    H    PHE   3           H        PHE   3  -1.656  13.750  -1.194
   24    HA   PHE   3           HA       PHE   3  -3.440  15.062  -2.789
   25   1HB   PHE   3          2HB       PHE   3  -3.648  12.889  -4.051
   26   2HB   PHE   3          1HB       PHE   3  -1.999  13.425  -3.753
   27    HD1  PHE   3           1HD      PHE   3  -4.553  10.945  -2.928
   28    HD2  PHE   3           2HD      PHE   3  -0.553  12.225  -2.238
   29    HE1  PHE   3           1HE      PHE   3  -4.043   8.776  -1.886
   30    HE2  PHE   3           2HE      PHE   3  -0.035  10.057  -1.195
   31    HZ   PHE   3           HZ       PHE   3  -1.782   8.329  -1.019
   32    H    PHE   4           H        PHE   4  -5.570  14.335  -3.619
   33    HA   PHE   4           HA       PHE   4  -7.222  13.079  -1.534
   34   1HB   PHE   4          2HB       PHE   4  -7.510  15.529  -1.448
   35   2HB   PHE   4          1HB       PHE   4  -7.977  15.526  -3.146
   36    HD1  PHE   4           1HD      PHE   4  -8.962  14.357   0.220
   37    HD2  PHE   4           2HD      PHE   4 -10.183  15.049  -3.798
   38    HE1  PHE   4           1HE      PHE   4 -11.306  13.986   0.872
   39    HE2  PHE   4           2HE      PHE   4 -12.528  14.679  -3.154
   40    HZ   PHE   4           HZ       PHE   4 -13.092  14.148  -0.816
   41    H    GLU   5           H        GLU   5  -8.129  11.309  -2.331
   42    HA   GLU   5           HA       GLU   5  -9.779  11.206  -4.519
   43   1HB   GLU   5          2HB       GLU   5  -7.348  11.414  -5.556
   44   2HB   GLU   5          1HB       GLU   5  -7.320   9.686  -5.243
   45   1HG   GLU   5          2HG       GLU   5  -8.876   9.226  -6.832
   46   2HG   GLU   5          1HG       GLU   5  -9.682  10.784  -6.654
   47    H    MET   6           H        MET   6  -7.430   9.363  -2.638
   48    HA   MET   6           HA       MET   6  -9.083   6.975  -2.749
   49   1HB   MET   6          2HB       MET   6  -6.589   7.359  -1.102
   50   2HB   MET   6          1HB       MET   6  -7.293   5.850  -1.667
   51   1HG   MET   6          2HG       MET   6  -6.668   6.328  -3.925
   52   2HG   MET   6          1HG       MET   6  -6.140   7.951  -3.484
   53   1HE   MET   6          1HE       MET   6  -4.553   4.446  -1.327
   54   2HE   MET   6          2HE       MET   6  -4.458   3.927  -3.010
   55   3HE   MET   6          3HE       MET   6  -5.998   4.463  -2.337
   56    H    GLN   7           H        GLN   7  -8.969   5.823  -0.374
   57    HA   GLN   7           HA       GLN   7  -9.322   7.296   1.915
   58   1HB   GLN   7          2HB       GLN   7 -11.253   8.302   0.745
   59   2HB   GLN   7          1HB       GLN   7 -11.953   6.701   0.554
   60   1HG   GLN   7          2HG       GLN   7 -12.586   6.563   2.733
   61   2HG   GLN   7          1HG       GLN   7 -11.269   7.590   3.297
   62   1HE2  GLN   7          1HE2      GLN   7 -14.536   7.425   2.611
   63   2HE2  GLN   7          2HE2      GLN   7 -14.899   9.113   2.651
   64    H    ALA   8           H        ALA   8 -10.118   6.032   3.712
   65    HA   ALA   8           HA       ALA   8  -9.345   3.339   3.589
   66   1HB   ALA   8          1HB       ALA   8 -11.143   4.522   5.691
   67   2HB   ALA   8          2HB       ALA   8  -9.406   4.816   5.631
   68   3HB   ALA   8          3HB       ALA   8 -10.015   3.176   5.856
   69    H    CYS   9           H        CYS   9 -10.692   1.449   4.109
   70    HA   CYS   9           HA       CYS   9 -13.371   1.656   2.898
   71   1HB   CYS   9          2HB       CYS   9 -12.967  -0.793   2.250
   72   2HB   CYS   9          1HB       CYS   9 -12.099   0.439   1.339
   73    H    TRP  10           H        TRP  10 -12.081   1.460   5.788
   74    HA   TRP  10           HA       TRP  10 -12.935  -0.858   7.018
   75   1HB   TRP  10          2HB       TRP  10 -12.888   1.939   8.163
   76   2HB   TRP  10          1HB       TRP  10 -12.981   0.456   9.107
   77    HD1  TRP  10           HD       TRP  10 -10.739  -1.210   7.559
   78    HE1  TRP  10           1HE      TRP  10  -8.266  -0.560   7.851
   79    HE3  TRP  10           3HE      TRP  10 -11.349   3.616   9.132
   80    HZ2  TRP  10           2HZ      TRP  10  -6.772   1.700   8.644
   81    HZ3  TRP  10           3HZ      TRP  10  -9.348   4.954   9.637
   82    HH2  TRP  10           HH       TRP  10  -7.107   4.014   9.398
   83    H    SER  11           H        SER  11 -14.725   2.168   6.525
   84    HA   SER  11           HA       SER  11 -17.193   0.754   7.282
   85   1HB   SER  11          2HB       SER  11 -16.273   3.061   8.346
   86   2HB   SER  11          1HB       SER  11 -17.234   3.706   7.014
   87    HG   SER  11           HG       SER  11 -19.017   2.557   7.825
   88    H    HIS  12           H        HIS  12 -15.903   0.578   4.678
   89    HA   HIS  12           HA       HIS  12 -18.151   1.536   3.060
   90   1HB   HIS  12          2HB       HIS  12 -15.856   2.915   2.967
   91   2HB   HIS  12          1HB       HIS  12 -15.459   1.657   1.802
   92    HD1  HIS  12           1HD      HIS  12 -18.564   1.558   0.799
   93    HD2  HIS  12           2HD      HIS  12 -16.009   4.832   0.915
   94    HE1  HIS  12           1HE      HIS  12 -19.469   3.177  -0.899
   95    HE2  HIS  12           2HE      HIS  12 -17.958   5.187  -0.748
   96    H    SER  13           H        SER  13 -17.715  -1.050   4.083
   97    HA   SER  13           HA       SER  13 -17.765  -3.228   3.434
   98   1HB   SER  13          2HB       SER  13 -18.023  -2.033   0.664
   99   2HB   SER  13          1HB       SER  13 -18.330  -3.719   1.079
  100    HG   SER  13           HG       SER  13 -19.985  -2.958   2.495
  101    H    GLY  14           H        GLY  14 -15.982  -4.391   3.689
  102   1HA   GLY  14          2HA       GLY  14 -14.178  -5.163   1.850
  103   2HA   GLY  14          1HA       GLY  14 -13.512  -3.625   2.379
  104    H    VAL  15           H        VAL  15 -12.444  -6.355   2.650
  105    HA   VAL  15           HA       VAL  15 -12.174  -6.383   5.586
  106    HB   VAL  15           HB       VAL  15 -12.053  -8.849   3.852
  107   1HG1  VAL  15          1HG1      VAL  15 -10.830  -9.222   5.821
  108   2HG1  VAL  15          2HG1      VAL  15 -12.415  -9.930   6.130
  109   3HG1  VAL  15          3HG1      VAL  15 -12.002  -8.357   6.814
  110   1HG2  VAL  15          1HG2      VAL  15 -14.283  -9.215   5.299
  111   2HG2  VAL  15          2HG2      VAL  15 -14.285  -8.523   3.676
  112   3HG2  VAL  15          3HG2      VAL  15 -14.352  -7.466   5.086
  113    H    CYS  16           H        CYS  16 -10.255  -5.272   5.659
  114    HA   CYS  16           HA       CYS  16  -8.072  -5.593   3.950
  115   1HB   CYS  16          2HB       CYS  16  -8.287  -3.693   5.469
  116   2HB   CYS  16          1HB       CYS  16  -8.106  -4.759   6.858
  117    H    ARG  17           H        ARG  17  -7.203  -7.526   3.530
  118    HA   ARG  17           HA       ARG  17  -6.460  -9.236   5.812
  119   1HB   ARG  17          2HB       ARG  17  -8.095  -9.900   3.700
  120   2HB   ARG  17          1HB       ARG  17  -6.538 -10.530   3.183
  121   1HG   ARG  17          2HG       ARG  17  -7.645 -12.284   4.311
  122   2HG   ARG  17          1HG       ARG  17  -6.390 -11.696   5.404
  123   1HD   ARG  17          2HD       ARG  17  -9.046 -10.425   5.644
  124   2HD   ARG  17          1HD       ARG  17  -8.936 -12.109   6.155
  125    HE   ARG  17           HE       ARG  17  -6.812 -10.874   7.355
  126   1HH1  ARG  17          1HH1      ARG  17 -10.268 -10.391   7.338
  127   2HH1  ARG  17          2HH1      ARG  17 -10.311  -9.741   8.942
  128   1HH2  ARG  17          1HH2      ARG  17  -6.867 -10.019   9.465
  129   2HH2  ARG  17          2HH2      ARG  17  -8.381  -9.529  10.150
  130    H    ASP  18           H        ASP  18  -4.772 -10.982   4.497
  131    HA   ASP  18           HA       ASP  18  -2.434  -9.290   4.145
  132   1HB   ASP  18          2HB       ASP  18  -2.924 -12.143   4.802
  133   2HB   ASP  18          1HB       ASP  18  -1.440 -11.783   3.924
  134    H    LYS  19           H        LYS  19  -1.384  -8.956   2.274
  135    HA   LYS  19           HA       LYS  19  -2.620  -9.438  -0.187
  136   1HB   LYS  19          2HB       LYS  19   0.102  -8.534   0.649
  137   2HB   LYS  19          1HB       LYS  19  -0.174  -8.949  -1.038
  138   1HG   LYS  19          2HG       LYS  19  -2.314  -7.303  -0.228
  139   2HG   LYS  19          1HG       LYS  19  -0.828  -6.552   0.352
  140   1HD   LYS  19          2HD       LYS  19  -0.684  -5.696  -1.718
  141   2HD   LYS  19          1HD       LYS  19  -0.131  -7.306  -2.181
  142   1HE   LYS  19          2HE       LYS  19  -2.779  -7.696  -2.305
  143   2HE   LYS  19          1HE       LYS  19  -2.727  -5.972  -2.664
  144   1HZ   LYS  19          1HZ       LYS  19  -1.821  -8.222  -4.253
  145   2HZ   LYS  19          2HZ       LYS  19  -0.795  -6.877  -4.257
  146   3HZ   LYS  19          3HZ       LYS  19  -2.405  -6.712  -4.746
  147    H    SER  20           H        SER  20  -0.332 -11.318   1.643
  148    HA   SER  20           HA       SER  20   0.118 -13.158  -0.569
  149   1HB   SER  20          2HB       SER  20   2.036 -12.554   0.829
  150   2HB   SER  20          1HB       SER  20   1.205 -13.174   2.256
  151    HG   SER  20           HG       SER  20   1.728 -15.135   1.699
  152    H    GLU  21           H        GLU  21  -2.490 -12.796   1.055
  153    HA   GLU  21           HA       GLU  21  -2.806 -15.539   2.014
  154   1HB   GLU  21          2HB       GLU  21  -3.485 -13.517   3.412
  155   2HB   GLU  21          1HB       GLU  21  -4.804 -13.300   2.271
  156   1HG   GLU  21          2HG       GLU  21  -5.924 -14.563   3.748
  157   2HG   GLU  21          1HG       GLU  21  -5.155 -15.889   2.879
  158    H    ARG  22           H        ARG  22  -4.227 -13.191  -0.218
  159    HA   ARG  22           HA       ARG  22  -5.825 -13.405  -1.843
  160   1HB   ARG  22          2HB       ARG  22  -4.227 -15.877  -2.481
  161   2HB   ARG  22          1HB       ARG  22  -5.140 -14.879  -3.605
  162   1HG   ARG  22          2HG       ARG  22  -2.953 -14.222  -3.964
  163   2HG   ARG  22          1HG       ARG  22  -3.566 -12.983  -2.870
  164   1HD   ARG  22          2HD       ARG  22  -2.239 -13.644  -1.164
  165   2HD   ARG  22          1HD       ARG  22  -2.345 -15.350  -1.601
  166    HE   ARG  22           HE       ARG  22  -0.353 -13.456  -2.452
  167   1HH1  ARG  22          1HH1      ARG  22  -1.941 -16.474  -3.189
  168   2HH1  ARG  22          2HH1      ARG  22  -0.632 -17.072  -4.151
  169   1HH2  ARG  22          1HH2      ARG  22   1.369 -14.239  -3.719
  170   2HH2  ARG  22          2HH2      ARG  22   1.248 -15.803  -4.453
  171    H    ASN  23           H        ASN  23  -6.822 -14.463   0.535
  172    HA   ASN  23           HA       ASN  23  -8.295 -16.845  -0.371
  173   1HB   ASN  23          2HB       ASN  23  -6.928 -16.340   2.041
  174   2HB   ASN  23          1HB       ASN  23  -8.643 -16.295   2.439
  175   1HD2  ASN  23          1HD2      ASN  23  -6.006 -18.240   1.320
  176   2HD2  ASN  23          2HD2      ASN  23  -6.801 -19.767   1.460
  177    H    CYS  24           H        CYS  24  -8.744 -13.757  -0.629
  178    HA   CYS  24           HA       CYS  24 -11.590 -13.883   0.087
  179   1HB   CYS  24          2HB       CYS  24  -9.921 -12.402   1.544
  180   2HB   CYS  24          1HB       CYS  24 -10.181 -11.264   0.229
  181    H    LYS  25           H        LYS  25 -12.687 -11.817  -1.016
  182    HA   LYS  25           HA       LYS  25 -12.472 -12.238  -3.805
  183   1HB   LYS  25          2HB       LYS  25 -14.156 -10.693  -1.989
  184   2HB   LYS  25          1HB       LYS  25 -13.858  -9.856  -3.507
  185   1HG   LYS  25          2HG       LYS  25 -15.479 -11.061  -4.411
  186   2HG   LYS  25          1HG       LYS  25 -14.454 -12.486  -4.228
  187   1HD   LYS  25          2HD       LYS  25 -16.316 -11.447  -2.095
  188   2HD   LYS  25          1HD       LYS  25 -16.731 -12.727  -3.235
  189   1HE   LYS  25          2HE       LYS  25 -14.220 -13.006  -1.671
  190   2HE   LYS  25          1HE       LYS  25 -15.748 -13.250  -0.829
  191   1HZ   LYS  25          1HZ       LYS  25 -14.780 -15.305  -1.772
  192   2HZ   LYS  25          2HZ       LYS  25 -14.986 -14.664  -3.323
  193   3HZ   LYS  25          3HZ       LYS  25 -16.335 -14.973  -2.350
  194    HA   PRO  26           HA       PRO  26  -9.571  -9.224  -5.164
  195   1HB   PRO  26          2HB       PRO  26 -10.802  -7.934  -7.213
  196   2HB   PRO  26          1HB       PRO  26 -10.220  -9.597  -7.335
  197   1HG   PRO  26          2HG       PRO  26 -12.993  -8.594  -6.821
  198   2HG   PRO  26          1HG       PRO  26 -12.458  -9.912  -7.880
  199   1HD   PRO  26          2HD       PRO  26 -13.501 -10.352  -5.422
  200   2HD   PRO  26          1HD       PRO  26 -12.261 -11.404  -6.134
  201    H    MET  27           H        MET  27  -8.983  -7.532  -3.988
  202    HA   MET  27           HA       MET  27 -10.585  -5.774  -2.612
  203   1HB   MET  27          2HB       MET  27  -8.215  -5.984  -2.157
  204   2HB   MET  27          1HB       MET  27  -7.816  -5.323  -3.736
  205   1HG   MET  27          2HG       MET  27  -9.419  -3.389  -2.551
  206   2HG   MET  27          1HG       MET  27  -8.383  -3.970  -1.252
  207   1HE   MET  27          1HE       MET  27  -5.789  -2.385  -1.062
  208   2HE   MET  27          2HE       MET  27  -7.487  -1.995  -0.785
  209   3HE   MET  27          3HE       MET  27  -6.487  -0.929  -1.772
  210    H    ALA  28           H        ALA  28 -11.456  -3.767  -2.971
  211    HA   ALA  28           HA       ALA  28 -11.467  -2.834  -5.764
  212   1HB   ALA  28          1HB       ALA  28 -13.700  -2.291  -3.836
  213   2HB   ALA  28          2HB       ALA  28 -13.633  -3.792  -4.759
  214   3HB   ALA  28          3HB       ALA  28 -13.717  -2.244  -5.600
  215    H    TRP  29           H        TRP  29 -10.028  -1.209  -5.776
  216    HA   TRP  29           HA       TRP  29  -8.815   0.593  -5.077
  217   1HB   TRP  29          2HB       TRP  29 -10.029   2.556  -5.406
  218   2HB   TRP  29          1HB       TRP  29 -10.913   1.351  -6.322
  219    HD1  TRP  29           HD       TRP  29 -13.135   0.290  -4.871
  220    HE1  TRP  29           1HE      TRP  29 -14.856   1.626  -3.501
  221    HE3  TRP  29           3HE      TRP  29 -10.423   4.555  -4.095
  222    HZ2  TRP  29           2HZ      TRP  29 -15.042   4.153  -2.259
  223    HZ3  TRP  29           3HZ      TRP  29 -11.447   6.385  -2.809
  224    HH2  TRP  29           HH       TRP  29 -13.709   6.187  -1.911
  225    H    THR  30           H        THR  30  -9.662   2.762  -3.373
  226    HA   THR  30           HA       THR  30  -9.532   3.436  -1.206
  227    HB   THR  30           HB       THR  30 -10.749   2.310   0.440
  228    HG1  THR  30           1HG      THR  30 -10.480  -0.135  -0.956
  229   1HG2  THR  30          1HG2      THR  30 -11.883   1.456  -2.202
  230   2HG2  THR  30          2HG2      THR  30 -12.343   2.840  -1.211
  231   3HG2  THR  30          3HG2      THR  30 -12.706   1.204  -0.664
  232    H    TYR  31           H        TYR  31  -8.557   2.664   1.036
  233    HA   TYR  31           HA       TYR  31  -6.266   0.899   0.586
  234   1HB   TYR  31          2HB       TYR  31  -4.771   2.574   1.695
  235   2HB   TYR  31          1HB       TYR  31  -5.356   3.071   0.111
  236    HD1  TYR  31           1HD      TYR  31  -6.186   5.216  -0.123
  237    HD2  TYR  31           2HD      TYR  31  -6.257   3.398   3.723
  238    HE1  TYR  31           1HE      TYR  31  -7.029   7.313   0.847
  239    HE2  TYR  31           2HE      TYR  31  -7.101   5.489   4.703
  240    HH   TYR  31           HH       TYR  31  -6.995   8.420   3.153
  241    H    CYS  32           H        CYS  32  -5.311   0.073   2.506
  242    HA   CYS  32           HA       CYS  32  -7.180   0.017   4.756
  243   1HB   CYS  32          2HB       CYS  32  -6.580  -2.154   3.880
  244   2HB   CYS  32          1HB       CYS  32  -4.866  -1.780   4.009
  245    H    GLU  33           H        GLU  33  -3.637  -0.270   4.567
  246    HA   GLU  33           HA       GLU  33  -3.039   2.088   5.963
  247   1HB   GLU  33          2HB       GLU  33  -4.222   0.465   7.706
  248   2HB   GLU  33          1HB       GLU  33  -2.605  -0.219   7.801
  249   1HG   GLU  33          2HG       GLU  33  -2.204   1.333   9.337
  250   2HG   GLU  33          1HG       GLU  33  -2.136   2.477   7.997
  251    H    ASN  34           H        ASN  34  -2.062  -1.318   5.680
  252    HA   ASN  34           HA       ASN  34   0.711  -0.443   5.274
  253   1HB   ASN  34          2HB       ASN  34   0.100  -2.212   7.024
  254   2HB   ASN  34          1HB       ASN  34  -0.209  -3.289   5.665
  255   1HD2  ASN  34          1HD2      ASN  34   1.416  -4.697   5.805
  256   2HD2  ASN  34          2HD2      ASN  34   3.093  -4.283   5.775
  257    H    ARG  35           H        ARG  35   1.793  -0.832   3.397
  258    HA   ARG  35           HA       ARG  35   0.286  -1.275   1.053
  259   1HB   ARG  35          2HB       ARG  35   3.208  -0.977   1.647
  260   2HB   ARG  35          1HB       ARG  35   2.656  -1.375   0.031
  261   1HG   ARG  35          2HG       ARG  35   1.458   0.959   1.429
  262   2HG   ARG  35          1HG       ARG  35   3.070   1.104   0.727
  263   1HD   ARG  35          2HD       ARG  35   1.761   1.777  -1.038
  264   2HD   ARG  35          1HD       ARG  35   1.918   0.054  -1.375
  265    HE   ARG  35           HE       ARG  35  -0.361   0.439   0.200
  266   1HH1  ARG  35          1HH1      ARG  35   0.793   1.181  -3.010
  267   2HH1  ARG  35          2HH1      ARG  35  -0.787   1.177  -3.715
  268   1HH2  ARG  35          1HH2      ARG  35  -2.442   0.434  -0.727
  269   2HH2  ARG  35          2HH2      ARG  35  -2.624   0.753  -2.420
  270    H    ASN  36           H        ASN  36   1.432  -3.458   3.273
  271    HA   ASN  36           HA       ASN  36   1.882  -5.575   1.309
  272   1HB   ASN  36          2HB       ASN  36   3.438  -5.190   3.299
  273   2HB   ASN  36          1HB       ASN  36   2.139  -5.831   4.302
  274   1HD2  ASN  36          1HD2      ASN  36   3.649  -7.487   4.885
  275   2HD2  ASN  36          2HD2      ASN  36   3.886  -8.845   3.844
  276    H    GLN  37           H        GLN  37  -0.770  -4.270   2.370
  277    HA   GLN  37           HA       GLN  37  -2.141  -6.844   2.772
  278   1HB   GLN  37          2HB       GLN  37  -3.031  -4.236   4.001
  279   2HB   GLN  37          1HB       GLN  37  -3.658  -5.846   4.327
  280   1HG   GLN  37          2HG       GLN  37  -0.834  -5.032   4.940
  281   2HG   GLN  37          1HG       GLN  37  -2.161  -4.867   6.089
  282   1HE2  GLN  37          1HE2      GLN  37   0.372  -6.635   5.682
  283   2HE2  GLN  37          2HE2      GLN  37  -0.198  -8.210   6.110
  284    H    LYS  38           H        LYS  38  -4.445  -6.803   2.129
  285    HA   LYS  38           HA       LYS  38  -5.022  -4.812   0.047
  286   1HB   LYS  38          2HB       LYS  38  -5.908  -6.593  -1.406
  287   2HB   LYS  38          1HB       LYS  38  -4.190  -6.789  -1.095
  288   1HG   LYS  38          2HG       LYS  38  -4.499  -8.808  -0.235
  289   2HG   LYS  38          1HG       LYS  38  -5.752  -8.219   0.858
  290   1HD   LYS  38          2HD       LYS  38  -6.684  -9.919  -0.577
  291   2HD   LYS  38          1HD       LYS  38  -7.380  -8.354  -1.002
  292   1HE   LYS  38          2HE       LYS  38  -5.191  -8.470  -2.635
  293   2HE   LYS  38          1HE       LYS  38  -5.692 -10.159  -2.574
  294   1HZ   LYS  38          1HZ       LYS  38  -7.027  -7.873  -3.765
  295   2HZ   LYS  38          2HZ       LYS  38  -8.035  -8.971  -2.965
  296   3HZ   LYS  38          3HZ       LYS  38  -7.043  -9.501  -4.229
  297    H    CYS  39           H        CYS  39  -7.002  -3.970   0.175
  298    HA   CYS  39           HA       CYS  39  -8.781  -4.825   2.258
  299   1HB   CYS  39          2HB       CYS  39  -8.465  -2.439   1.682
  300   2HB   CYS  39          1HB       CYS  39  -9.196  -2.737   0.108
  301    H    CYS  40           H        CYS  40  -9.464  -6.898   1.697
  302    HA   CYS  40           HA       CYS  40 -10.369  -7.873  -0.687
  303   1HB   CYS  40          2HB       CYS  40 -10.217  -9.393   1.099
  304   2HB   CYS  40          1HB       CYS  40 -11.242  -8.411   2.133
  305    H    GLU  41           H        GLU  41 -12.493  -8.200  -1.585
  306    HA   GLU  41           HA       GLU  41 -14.399  -6.060  -0.890
  307   1HB   GLU  41          2HB       GLU  41 -13.099  -5.743  -3.061
  308   2HB   GLU  41          1HB       GLU  41 -13.991  -7.126  -3.681
  309   1HG   GLU  41          2HG       GLU  41 -15.996  -5.563  -2.700
  310   2HG   GLU  41          1HG       GLU  41 -14.842  -4.361  -3.278
  311    H    TYR  42           H        TYR  42 -14.852  -8.255   0.423
  312    HA   TYR  42           HA       TYR  42 -15.951 -10.486  -0.394
  313   1HB   TYR  42          2HB       TYR  42 -17.363 -10.518   1.546
  314   2HB   TYR  42          1HB       TYR  42 -15.873  -9.679   1.960
  315    HD1  TYR  42           1HD      TYR  42 -19.274  -9.609   2.437
  316    HD2  TYR  42           2HD      TYR  42 -16.076  -7.005   1.391
  317    HE1  TYR  42           1HE      TYR  42 -20.589  -7.688   3.228
  318    HE2  TYR  42           2HE      TYR  42 -17.382  -5.077   2.181
  319    HH   TYR  42           HH       TYR  42 -20.719  -5.307   2.951
  Start of MODEL   11
    1   1H    ILE   1          1HT       ILE   1   0.561  11.056  -3.552
    2   2H    ILE   1          2HT       ILE   1  -0.145  12.489  -2.926
    3   3H    ILE   1          3HT       ILE   1   1.126  11.712  -2.073
    4    HA   ILE   1           HA       ILE   1   2.108  13.499  -3.082
    5    HB   ILE   1           HB       ILE   1   2.546  11.241  -5.034
    6   1HG1  ILE   1          2HG1      ILE   1   4.497  10.896  -3.204
    7   2HG1  ILE   1          1HG1      ILE   1   3.214  11.490  -2.155
    8   1HG2  ILE   1          1HG2      ILE   1   3.900  12.837  -5.868
    9   2HG2  ILE   1          2HG2      ILE   1   4.967  12.324  -4.561
   10   3HG2  ILE   1          3HG2      ILE   1   3.941  13.744  -4.357
   11   1HD1  ILE   1          1HD1      ILE   1   2.540   9.327  -4.063
   12   2HD1  ILE   1          2HD1      ILE   1   1.942   9.632  -2.431
   13   3HD1  ILE   1          3HD1      ILE   1   3.539   8.922  -2.667
   14    H    MET   2           H        MET   2   0.774  15.087  -3.878
   15    HA   MET   2           HA       MET   2  -0.260  16.399  -5.421
   16   1HB   MET   2          2HB       MET   2   1.692  14.826  -7.023
   17   2HB   MET   2          1HB       MET   2   0.467  15.731  -7.900
   18   1HG   MET   2          2HG       MET   2   2.536  16.996  -7.649
   19   2HG   MET   2          1HG       MET   2   1.181  17.786  -6.845
   20   1HE   MET   2          1HE       MET   2   1.469  18.109  -3.656
   21   2HE   MET   2          2HE       MET   2   1.467  18.954  -5.203
   22   3HE   MET   2          3HE       MET   2   2.873  19.059  -4.143
   23    H    PHE   3           H        PHE   3  -1.430  13.749  -4.622
   24    HA   PHE   3           HA       PHE   3  -3.792  13.861  -6.037
   25   1HB   PHE   3          2HB       PHE   3  -1.983  12.812  -7.735
   26   2HB   PHE   3          1HB       PHE   3  -2.509  11.340  -6.926
   27    HD1  PHE   3           1HD      PHE   3  -4.307  10.210  -7.792
   28    HD2  PHE   3           2HD      PHE   3  -3.952  14.386  -8.523
   29    HE1  PHE   3           1HE      PHE   3  -6.293  10.120  -9.240
   30    HE2  PHE   3           2HE      PHE   3  -5.938  14.305  -9.973
   31    HZ   PHE   3           HZ       PHE   3  -7.112  12.170 -10.334
   32    H    PHE   4           H        PHE   4  -5.344  12.347  -5.311
   33    HA   PHE   4           HA       PHE   4  -4.425  10.651  -3.083
   34   1HB   PHE   4          2HB       PHE   4  -6.750  12.527  -3.278
   35   2HB   PHE   4          1HB       PHE   4  -6.873  11.106  -2.245
   36    HD1  PHE   4           1HD      PHE   4  -6.251  11.317  -0.049
   37    HD2  PHE   4           2HD      PHE   4  -4.518  13.915  -2.939
   38    HE1  PHE   4           1HE      PHE   4  -5.068  12.516   1.745
   39    HE2  PHE   4           2HE      PHE   4  -3.330  15.119  -1.151
   40    HZ   PHE   4           HZ       PHE   4  -3.604  14.420   1.194
   41    H    GLU   5           H        GLU   5  -7.582  11.037  -4.655
   42    HA   GLU   5           HA       GLU   5  -9.057   9.487  -5.446
   43   1HB   GLU   5          2HB       GLU   5  -7.532   9.737  -7.348
   44   2HB   GLU   5          1HB       GLU   5  -6.515   8.459  -6.707
   45   1HG   GLU   5          2HG       GLU   5  -7.968   6.804  -7.313
   46   2HG   GLU   5          1HG       GLU   5  -9.377   7.859  -7.226
   47    H    MET   6           H        MET   6  -7.772   8.862  -2.863
   48    HA   MET   6           HA       MET   6  -8.597   6.089  -2.724
   49   1HB   MET   6          2HB       MET   6  -5.790   6.954  -2.017
   50   2HB   MET   6          1HB       MET   6  -6.500   5.429  -1.503
   51   1HG   MET   6          2HG       MET   6  -6.949   5.208  -4.109
   52   2HG   MET   6          1HG       MET   6  -5.553   6.283  -4.174
   53   1HE   MET   6          1HE       MET   6  -6.798   2.608  -3.222
   54   2HE   MET   6          2HE       MET   6  -5.404   1.906  -4.043
   55   3HE   MET   6          3HE       MET   6  -6.427   3.071  -4.883
   56    H    GLN   7           H        GLN   7  -8.212   5.328  -0.313
   57    HA   GLN   7           HA       GLN   7  -8.010   6.937   1.845
   58   1HB   GLN   7          2HB       GLN   7 -10.447   7.537   0.403
   59   2HB   GLN   7          1HB       GLN   7 -10.808   6.972   2.029
   60   1HG   GLN   7          2HG       GLN   7  -9.468   8.697   2.998
   61   2HG   GLN   7          1HG       GLN   7  -8.874   9.191   1.412
   62   1HE2  GLN   7          1HE2      GLN   7 -10.110  10.910   3.255
   63   2HE2  GLN   7          2HE2      GLN   7 -11.595  11.464   2.568
   64    H    ALA   8           H        ALA   8  -9.289   6.094   3.805
   65    HA   ALA   8           HA       ALA   8  -8.872   3.336   4.024
   66   1HB   ALA   8          1HB       ALA   8 -10.696   4.967   5.780
   67   2HB   ALA   8          2HB       ALA   8  -8.936   4.990   5.905
   68   3HB   ALA   8          3HB       ALA   8  -9.822   3.493   6.203
   69    H    CYS   9           H        CYS   9 -10.343   1.597   4.258
   70    HA   CYS   9           HA       CYS   9 -12.758   1.928   2.641
   71   1HB   CYS   9          2HB       CYS   9 -12.754  -0.531   2.497
   72   2HB   CYS   9          1HB       CYS   9 -11.225   0.155   1.960
   73    H    TRP  10           H        TRP  10 -12.486   2.726   5.526
   74    HA   TRP  10           HA       TRP  10 -13.805   0.987   7.227
   75   1HB   TRP  10          2HB       TRP  10 -14.042   3.999   7.248
   76   2HB   TRP  10          1HB       TRP  10 -14.293   2.913   8.611
   77    HD1  TRP  10           HD       TRP  10 -11.905   5.305   7.765
   78    HE1  TRP  10           1HE      TRP  10  -9.517   4.707   8.518
   79    HE3  TRP  10           3HE      TRP  10 -12.532   0.292   8.553
   80    HZ2  TRP  10           2HZ      TRP  10  -8.089   2.415   9.336
   81    HZ3  TRP  10           3HZ      TRP  10 -10.604  -1.031   9.320
   82    HH2  TRP  10           HH       TRP  10  -8.429   0.010   9.703
   83    H    SER  11           H        SER  11 -15.087   3.229   4.851
   84    HA   SER  11           HA       SER  11 -17.831   2.654   5.631
   85   1HB   SER  11          2HB       SER  11 -17.506   4.927   5.054
   86   2HB   SER  11          1HB       SER  11 -16.591   4.511   3.604
   87    HG   SER  11           HG       SER  11 -19.367   4.312   4.065
   88    H    HIS  12           H        HIS  12 -15.682   2.162   2.855
   89    HA   HIS  12           HA       HIS  12 -17.560   0.857   1.210
   90   1HB   HIS  12          2HB       HIS  12 -14.980   1.722   0.899
   91   2HB   HIS  12          1HB       HIS  12 -14.766  -0.026   0.920
   92    HD1  HIS  12           1HD      HIS  12 -14.471  -0.643  -1.465
   93    HD2  HIS  12           2HD      HIS  12 -17.618   2.017  -0.925
   94    HE1  HIS  12           1HE      HIS  12 -15.553  -0.414  -3.724
   95    HE2  HIS  12           2HE      HIS  12 -17.407   1.258  -3.388
   96    H    SER  13           H        SER  13 -15.615  -0.240   3.872
   97    HA   SER  13           HA       SER  13 -15.536  -2.202   5.011
   98   1HB   SER  13          2HB       SER  13 -17.488  -3.422   5.211
   99   2HB   SER  13          1HB       SER  13 -18.121  -1.924   4.532
  100    HG   SER  13           HG       SER  13 -17.770  -3.057   2.426
  101    H    GLY  14           H        GLY  14 -14.410  -4.072   4.820
  102   1HA   GLY  14          2HA       GLY  14 -14.421  -5.685   2.464
  103   2HA   GLY  14          1HA       GLY  14 -12.990  -4.666   2.532
  104    H    VAL  15           H        VAL  15 -11.778  -6.666   2.628
  105    HA   VAL  15           HA       VAL  15 -11.684  -7.737   5.372
  106    HB   VAL  15           HB       VAL  15 -11.152  -9.369   2.888
  107   1HG1  VAL  15          1HG1      VAL  15 -11.155  -9.962   5.825
  108   2HG1  VAL  15          2HG1      VAL  15  -9.922 -10.326   4.619
  109   3HG1  VAL  15          3HG1      VAL  15 -11.433 -11.236   4.637
  110   1HG2  VAL  15          1HG2      VAL  15 -13.521  -9.739   4.682
  111   2HG2  VAL  15          2HG2      VAL  15 -13.272 -10.308   3.031
  112   3HG2  VAL  15          3HG2      VAL  15 -13.577  -8.598   3.338
  113    H    CYS  16           H        CYS  16 -10.007  -6.214   5.796
  114    HA   CYS  16           HA       CYS  16  -7.661  -5.928   4.306
  115   1HB   CYS  16          2HB       CYS  16  -8.358  -4.394   6.112
  116   2HB   CYS  16          1HB       CYS  16  -8.005  -5.645   7.298
  117    H    ARG  17           H        ARG  17  -6.764  -7.839   3.631
  118    HA   ARG  17           HA       ARG  17  -5.643  -9.557   5.748
  119   1HB   ARG  17          2HB       ARG  17  -7.505 -10.335   3.880
  120   2HB   ARG  17          1HB       ARG  17  -5.995 -10.826   3.127
  121   1HG   ARG  17          2HG       ARG  17  -6.918 -12.645   4.417
  122   2HG   ARG  17          1HG       ARG  17  -5.411 -12.088   5.149
  123   1HD   ARG  17          2HD       ARG  17  -7.232 -10.542   6.442
  124   2HD   ARG  17          1HD       ARG  17  -8.161 -12.018   6.184
  125    HE   ARG  17           HE       ARG  17  -5.809 -12.924   7.174
  126   1HH1  ARG  17          1HH1      ARG  17  -8.100 -10.526   8.259
  127   2HH1  ARG  17          2HH1      ARG  17  -7.753 -10.774   9.938
  128   1HH2  ARG  17          1HH2      ARG  17  -5.351 -13.251   9.381
  129   2HH2  ARG  17          2HH2      ARG  17  -6.193 -12.320  10.574
  130    H    ASP  18           H        ASP  18  -4.073 -11.158   4.015
  131    HA   ASP  18           HA       ASP  18  -1.877  -9.329   3.572
  132   1HB   ASP  18          2HB       ASP  18  -2.120 -12.055   4.254
  133   2HB   ASP  18          1HB       ASP  18  -1.326 -12.017   2.683
  134    H    LYS  19           H        LYS  19  -1.023  -8.719   1.642
  135    HA   LYS  19           HA       LYS  19  -2.572  -8.561  -0.627
  136   1HB   LYS  19          2HB       LYS  19   0.398  -8.419  -0.213
  137   2HB   LYS  19          1HB       LYS  19  -0.297  -8.254  -1.821
  138   1HG   LYS  19          2HG       LYS  19  -1.791  -6.543  -0.216
  139   2HG   LYS  19          1HG       LYS  19  -0.123  -6.331   0.313
  140   1HD   LYS  19          2HD       LYS  19  -0.495  -4.763  -1.435
  141   2HD   LYS  19          1HD       LYS  19   0.500  -6.055  -2.111
  142   1HE   LYS  19          2HE       LYS  19  -1.822  -7.068  -2.782
  143   2HE   LYS  19          1HE       LYS  19  -2.370  -5.401  -2.611
  144   1HZ   LYS  19          1HZ       LYS  19  -0.293  -6.445  -4.450
  145   2HZ   LYS  19          2HZ       LYS  19  -0.514  -4.794  -4.158
  146   3HZ   LYS  19          3HZ       LYS  19  -1.758  -5.701  -4.856
  147    H    SER  20           H        SER  20  -0.581 -11.183   0.459
  148    HA   SER  20           HA       SER  20  -0.886 -12.582  -2.096
  149   1HB   SER  20          2HB       SER  20   1.350 -12.416  -0.799
  150   2HB   SER  20          1HB       SER  20   0.651 -13.635   0.267
  151    HG   SER  20           HG       SER  20   1.218 -13.833  -2.497
  152    H    GLU  21           H        GLU  21  -3.095 -12.142  -0.161
  153    HA   GLU  21           HA       GLU  21  -3.687 -14.471   1.269
  154   1HB   GLU  21          2HB       GLU  21  -4.844 -12.239   1.465
  155   2HB   GLU  21          1HB       GLU  21  -5.700 -12.626  -0.019
  156   1HG   GLU  21          2HG       GLU  21  -6.947 -13.054   2.115
  157   2HG   GLU  21          1HG       GLU  21  -6.853 -14.414   1.000
  158    H    ARG  22           H        ARG  22  -4.010 -16.432   0.556
  159    HA   ARG  22           HA       ARG  22  -4.634 -16.911  -2.238
  160   1HB   ARG  22          2HB       ARG  22  -4.260 -19.094  -0.226
  161   2HB   ARG  22          1HB       ARG  22  -3.856 -19.081  -1.936
  162   1HG   ARG  22          2HG       ARG  22  -1.769 -18.901  -1.076
  163   2HG   ARG  22          1HG       ARG  22  -2.181 -17.186  -1.143
  164   1HD   ARG  22          2HD       ARG  22  -2.176 -16.983   1.089
  165   2HD   ARG  22          1HD       ARG  22  -3.052 -18.498   1.317
  166    HE   ARG  22           HE       ARG  22  -0.306 -18.863   0.559
  167   1HH1  ARG  22          1HH1      ARG  22  -2.484 -18.350   3.237
  168   2HH1  ARG  22          2HH1      ARG  22  -1.416 -19.056   4.404
  169   1HH2  ARG  22          1HH2      ARG  22   1.100 -19.791   2.092
  170   2HH2  ARG  22          2HH2      ARG  22   0.620 -19.873   3.754
  171    H    ASN  23           H        ASN  23  -6.588 -16.065   0.047
  172    HA   ASN  23           HA       ASN  23  -8.782 -17.686  -0.940
  173   1HB   ASN  23          2HB       ASN  23  -7.594 -18.488   1.378
  174   2HB   ASN  23          1HB       ASN  23  -8.822 -17.388   1.994
  175   1HD2  ASN  23          1HD2      ASN  23  -8.167 -20.451   0.678
  176   2HD2  ASN  23          2HD2      ASN  23  -9.790 -21.042   0.631
  177    H    CYS  24           H        CYS  24  -8.217 -15.038  -1.479
  178    HA   CYS  24           HA       CYS  24 -10.193 -13.576   0.140
  179   1HB   CYS  24          2HB       CYS  24  -7.565 -12.959  -0.256
  180   2HB   CYS  24          1HB       CYS  24  -8.339 -12.019  -1.521
  181    H    LYS  25           H        LYS  25 -10.892 -11.513  -1.275
  182    HA   LYS  25           HA       LYS  25 -11.776 -12.536  -3.894
  183   1HB   LYS  25          2HB       LYS  25 -13.304 -11.386  -1.656
  184   2HB   LYS  25          1HB       LYS  25 -13.691 -10.700  -3.227
  185   1HG   LYS  25          2HG       LYS  25 -15.148 -12.409  -3.300
  186   2HG   LYS  25          1HG       LYS  25 -13.735 -13.312  -3.848
  187   1HD   LYS  25          2HD       LYS  25 -13.934 -13.163  -0.944
  188   2HD   LYS  25          1HD       LYS  25 -15.328 -13.946  -1.690
  189   1HE   LYS  25          2HE       LYS  25 -14.090 -15.689  -2.504
  190   2HE   LYS  25          1HE       LYS  25 -12.615 -14.729  -2.617
  191   1HZ   LYS  25          1HZ       LYS  25 -13.039 -16.551  -0.732
  192   2HZ   LYS  25          2HZ       LYS  25 -13.633 -15.183   0.065
  193   3HZ   LYS  25          3HZ       LYS  25 -12.042 -15.202  -0.508
  194    HA   PRO  26           HA       PRO  26 -10.268  -8.806  -5.694
  195   1HB   PRO  26          2HB       PRO  26 -12.082  -8.194  -7.586
  196   2HB   PRO  26          1HB       PRO  26 -11.061  -9.633  -7.696
  197   1HG   PRO  26          2HG       PRO  26 -13.908  -9.396  -6.803
  198   2HG   PRO  26          1HG       PRO  26 -13.164 -10.614  -7.854
  199   1HD   PRO  26          2HD       PRO  26 -13.675 -11.023  -5.202
  200   2HD   PRO  26          1HD       PRO  26 -12.363 -11.831  -6.080
  201    H    MET  27           H        MET  27 -10.200  -7.080  -4.369
  202    HA   MET  27           HA       MET  27 -12.545  -5.769  -3.369
  203   1HB   MET  27          2HB       MET  27 -10.851  -4.066  -2.553
  204   2HB   MET  27          1HB       MET  27 -10.662  -5.704  -1.949
  205   1HG   MET  27          2HG       MET  27  -8.605  -5.830  -2.745
  206   2HG   MET  27          1HG       MET  27  -9.149  -5.375  -4.358
  207   1HE   MET  27          1HE       MET  27  -7.101  -4.581  -4.858
  208   2HE   MET  27          2HE       MET  27  -6.185  -3.263  -4.125
  209   3HE   MET  27          3HE       MET  27  -7.474  -2.908  -5.275
  210    H    ALA  28           H        ALA  28 -12.649  -3.323  -3.550
  211    HA   ALA  28           HA       ALA  28 -12.190  -2.475  -6.327
  212   1HB   ALA  28          1HB       ALA  28 -14.437  -2.675  -6.515
  213   2HB   ALA  28          2HB       ALA  28 -14.413  -1.090  -5.742
  214   3HB   ALA  28          3HB       ALA  28 -14.703  -2.537  -4.777
  215    H    TRP  29           H        TRP  29 -10.701  -0.937  -6.227
  216    HA   TRP  29           HA       TRP  29  -9.395   0.741  -5.435
  217   1HB   TRP  29          2HB       TRP  29 -10.421   2.767  -5.716
  218   2HB   TRP  29          1HB       TRP  29 -11.610   1.720  -6.467
  219    HD1  TRP  29           HD       TRP  29 -13.789   1.080  -4.824
  220    HE1  TRP  29           1HE      TRP  29 -15.010   2.589  -3.134
  221    HE3  TRP  29           3HE      TRP  29 -10.184   4.645  -4.162
  222    HZ2  TRP  29           2HZ      TRP  29 -14.512   4.973  -1.712
  223    HZ3  TRP  29           3HZ      TRP  29 -10.639   6.510  -2.623
  224    HH2  TRP  29           HH       TRP  29 -12.760   6.671  -1.425
  225    H    THR  30           H        THR  30  -9.731   2.732  -3.556
  226    HA   THR  30           HA       THR  30  -9.311   3.157  -1.365
  227    HB   THR  30           HB       THR  30 -10.796   1.439   0.162
  228    HG1  THR  30           1HG      THR  30 -12.237   1.770  -2.247
  229   1HG2  THR  30          1HG2      THR  30 -11.182   4.094  -0.937
  230   2HG2  THR  30          2HG2      THR  30 -11.506   3.472   0.681
  231   3HG2  THR  30          3HG2      THR  30 -12.694   3.254  -0.604
  232    H    TYR  31           H        TYR  31  -8.510   2.172   0.738
  233    HA   TYR  31           HA       TYR  31  -7.188  -0.408   0.333
  234   1HB   TYR  31          2HB       TYR  31  -5.054   0.528   1.179
  235   2HB   TYR  31          1HB       TYR  31  -5.536   1.221  -0.365
  236    HD1  TYR  31           1HD      TYR  31  -5.211   1.860   3.247
  237    HD2  TYR  31           2HD      TYR  31  -6.077   3.552  -0.560
  238    HE1  TYR  31           1HE      TYR  31  -5.017   4.113   4.210
  239    HE2  TYR  31           2HE      TYR  31  -5.883   5.811   0.394
  240    HH   TYR  31           HH       TYR  31  -4.842   6.926   2.293
  241    H    CYS  32           H        CYS  32  -5.857  -0.867   2.486
  242    HA   CYS  32           HA       CYS  32  -7.829  -0.745   4.619
  243   1HB   CYS  32          2HB       CYS  32  -6.885  -2.915   4.183
  244   2HB   CYS  32          1HB       CYS  32  -5.247  -2.283   4.296
  245    H    GLU  33           H        GLU  33  -4.276  -0.517   4.685
  246    HA   GLU  33           HA       GLU  33  -4.095   2.088   5.678
  247   1HB   GLU  33          2HB       GLU  33  -5.257   0.657   7.601
  248   2HB   GLU  33          1HB       GLU  33  -3.588   0.232   7.954
  249   1HG   GLU  33          2HG       GLU  33  -3.211   2.185   8.926
  250   2HG   GLU  33          1HG       GLU  33  -3.872   3.073   7.555
  251    H    ASN  34           H        ASN  34  -2.675  -1.103   6.391
  252    HA   ASN  34           HA       ASN  34  -0.001  -0.004   6.057
  253   1HB   ASN  34          2HB       ASN  34  -0.647  -1.632   7.909
  254   2HB   ASN  34          1HB       ASN  34  -0.720  -2.873   6.662
  255   1HD2  ASN  34          1HD2      ASN  34   1.079  -2.287   9.041
  256   2HD2  ASN  34          2HD2      ASN  34   2.674  -2.442   8.397
  257    H    ARG  35           H        ARG  35   1.415  -0.556   4.432
  258    HA   ARG  35           HA       ARG  35   0.303  -1.290   1.949
  259   1HB   ARG  35          2HB       ARG  35   3.109  -0.873   2.930
  260   2HB   ARG  35          1HB       ARG  35   2.764  -1.342   1.276
  261   1HG   ARG  35          2HG       ARG  35   1.480   1.060   2.513
  262   2HG   ARG  35          1HG       ARG  35   3.083   1.140   1.782
  263   1HD   ARG  35          2HD       ARG  35   1.927   1.611  -0.094
  264   2HD   ARG  35          1HD       ARG  35   1.717  -0.136  -0.166
  265    HE   ARG  35           HE       ARG  35  -0.480   0.135   0.738
  266   1HH1  ARG  35          1HH1      ARG  35   1.080   3.141  -0.144
  267   2HH1  ARG  35          2HH1      ARG  35  -0.408   4.018  -0.252
  268   1HH2  ARG  35          1HH2      ARG  35  -2.425   1.297   0.595
  269   2HH2  ARG  35          2HH2      ARG  35  -2.393   2.975   0.168
  270    H    ASN  36           H        ASN  36   1.168  -3.201   4.519
  271    HA   ASN  36           HA       ASN  36   2.094  -5.457   2.938
  272   1HB   ASN  36          2HB       ASN  36   2.985  -4.841   5.262
  273   2HB   ASN  36          1HB       ASN  36   1.471  -5.487   5.887
  274   1HD2  ASN  36          1HD2      ASN  36   4.370  -6.332   6.025
  275   2HD2  ASN  36          2HD2      ASN  36   4.341  -8.003   5.592
  276    H    GLN  37           H        GLN  37  -0.824  -4.223   4.297
  277    HA   GLN  37           HA       GLN  37  -2.213  -6.703   3.524
  278   1HB   GLN  37          2HB       GLN  37  -2.722  -4.893   5.882
  279   2HB   GLN  37          1HB       GLN  37  -3.925  -6.032   5.291
  280   1HG   GLN  37          2HG       GLN  37  -2.956  -7.286   6.919
  281   2HG   GLN  37          1HG       GLN  37  -1.951  -7.745   5.545
  282   1HE2  GLN  37          1HE2      GLN  37  -0.424  -8.345   7.234
  283   2HE2  GLN  37          2HE2      GLN  37   0.619  -7.132   7.888
  284    H    LYS  38           H        LYS  38  -4.027  -6.490   2.287
  285    HA   LYS  38           HA       LYS  38  -4.761  -3.743   1.509
  286   1HB   LYS  38          2HB       LYS  38  -5.364  -4.643  -0.693
  287   2HB   LYS  38          1HB       LYS  38  -3.673  -4.947  -0.313
  288   1HG   LYS  38          2HG       LYS  38  -4.104  -7.035  -0.967
  289   2HG   LYS  38          1HG       LYS  38  -4.867  -7.216   0.614
  290   1HD   LYS  38          2HD       LYS  38  -6.630  -7.882  -0.637
  291   2HD   LYS  38          1HD       LYS  38  -6.914  -6.146  -0.758
  292   1HE   LYS  38          2HE       LYS  38  -5.992  -6.030  -2.908
  293   2HE   LYS  38          1HE       LYS  38  -5.191  -7.591  -2.743
  294   1HZ   LYS  38          1HZ       LYS  38  -7.547  -7.168  -3.999
  295   2HZ   LYS  38          2HZ       LYS  38  -8.053  -7.733  -2.487
  296   3HZ   LYS  38          3HZ       LYS  38  -7.005  -8.666  -3.431
  297    H    CYS  39           H        CYS  39  -6.913  -3.209   1.314
  298    HA   CYS  39           HA       CYS  39  -8.745  -4.769   2.873
  299   1HB   CYS  39          2HB       CYS  39  -8.638  -2.210   2.702
  300   2HB   CYS  39          1HB       CYS  39  -9.479  -2.395   1.168
  301    H    CYS  40           H        CYS  40  -9.476  -6.614   2.000
  302    HA   CYS  40           HA       CYS  40  -9.897  -6.973  -0.794
  303   1HB   CYS  40          2HB       CYS  40  -9.903  -8.595   1.586
  304   2HB   CYS  40          1HB       CYS  40 -11.299  -8.974   0.590
  305    H    GLU  41           H        GLU  41 -12.127  -8.070  -1.404
  306    HA   GLU  41           HA       GLU  41 -14.095  -5.988  -1.099
  307   1HB   GLU  41          2HB       GLU  41 -13.494  -7.728  -3.111
  308   2HB   GLU  41          1HB       GLU  41 -14.911  -8.496  -2.411
  309   1HG   GLU  41          2HG       GLU  41 -15.443  -5.719  -2.662
  310   2HG   GLU  41          1HG       GLU  41 -14.785  -6.301  -4.190
  311    H    TYR  42           H        TYR  42 -15.512  -5.900   0.502
  312    HA   TYR  42           HA       TYR  42 -15.859  -7.412   2.614
  313   1HB   TYR  42          2HB       TYR  42 -18.271  -6.649   2.668
  314   2HB   TYR  42          1HB       TYR  42 -17.066  -5.384   2.472
  315    HD1  TYR  42           1HD      TYR  42 -19.656  -7.356   0.741
  316    HD2  TYR  42           2HD      TYR  42 -16.980  -4.059   0.483
  317    HE1  TYR  42           1HE      TYR  42 -20.813  -6.584  -1.286
  318    HE2  TYR  42           2HE      TYR  42 -18.131  -3.276  -1.545
  319    HH   TYR  42           HH       TYR  42 -19.539  -4.202  -3.336
  Start of MODEL   12
    1   1H    ILE   1          1HT       ILE   1  -1.728  11.928   0.693
    2   2H    ILE   1          2HT       ILE   1  -2.877  10.714   0.305
    3   3H    ILE   1          3HT       ILE   1  -1.679  10.415   1.497
    4    HA   ILE   1           HA       ILE   1  -4.077  11.025   2.141
    5    HB   ILE   1           HB       ILE   1  -3.187  12.139   4.189
    6   1HG1  ILE   1          2HG1      ILE   1  -0.488  11.884   4.088
    7   2HG1  ILE   1          1HG1      ILE   1  -0.820  12.380   2.432
    8   1HG2  ILE   1          1HG2      ILE   1  -2.358  10.182   5.045
    9   2HG2  ILE   1          2HG2      ILE   1  -1.374   9.847   3.619
   10   3HG2  ILE   1          3HG2      ILE   1  -3.118   9.587   3.569
   11   1HD1  ILE   1          1HD1      ILE   1  -1.914  13.888   4.777
   12   2HD1  ILE   1          2HD1      ILE   1  -1.722  14.425   3.108
   13   3HD1  ILE   1          3HD1      ILE   1  -0.303  14.198   4.131
   14    H    MET   2           H        MET   2  -5.162  12.938   3.073
   15    HA   MET   2           HA       MET   2  -6.093  15.001   2.853
   16   1HB   MET   2          2HB       MET   2  -3.544  15.506   3.374
   17   2HB   MET   2          1HB       MET   2  -3.569  16.132   1.732
   18   1HG   MET   2          2HG       MET   2  -3.957  17.906   3.320
   19   2HG   MET   2          1HG       MET   2  -5.394  17.640   2.336
   20   1HE   MET   2          1HE       MET   2  -4.650  19.005   5.283
   21   2HE   MET   2          2HE       MET   2  -6.030  18.633   6.317
   22   3HE   MET   2          3HE       MET   2  -6.289  19.321   4.714
   23    H    PHE   3           H        PHE   3  -7.537  14.580   1.217
   24    HA   PHE   3           HA       PHE   3  -8.518  14.765  -0.825
   25   1HB   PHE   3          2HB       PHE   3  -6.693  16.985  -0.620
   26   2HB   PHE   3          1HB       PHE   3  -6.796  16.446  -2.293
   27    HD1  PHE   3           1HD      PHE   3  -8.904  16.549  -3.505
   28    HD2  PHE   3           2HD      PHE   3  -8.573  17.978   0.489
   29    HE1  PHE   3           1HE      PHE   3 -11.034  17.755  -3.765
   30    HE2  PHE   3           2HE      PHE   3 -10.702  19.186   0.238
   31    HZ   PHE   3           HZ       PHE   3 -11.936  19.076  -1.891
   32    H    PHE   4           H        PHE   4  -8.282  12.741  -1.658
   33    HA   PHE   4           HA       PHE   4  -6.506  12.426  -3.872
   34   1HB   PHE   4          2HB       PHE   4  -5.654  11.452  -1.285
   35   2HB   PHE   4          1HB       PHE   4  -5.840  10.117  -2.418
   36    HD1  PHE   4           1HD      PHE   4  -3.568  12.371  -1.152
   37    HD2  PHE   4           2HD      PHE   4  -4.856  10.734  -4.863
   38    HE1  PHE   4           1HE      PHE   4  -1.384  12.918  -2.147
   39    HE2  PHE   4           2HE      PHE   4  -2.676  11.277  -5.865
   40    HZ   PHE   4           HZ       PHE   4  -0.936  12.371  -4.505
   41    H    GLU   5           H        GLU   5  -7.376  11.065  -5.323
   42    HA   GLU   5           HA       GLU   5  -9.920  10.196  -5.280
   43   1HB   GLU   5          2HB       GLU   5  -8.478  10.200  -7.276
   44   2HB   GLU   5          1HB       GLU   5  -7.641   8.781  -6.662
   45   1HG   GLU   5          2HG       GLU   5  -9.368   7.377  -7.147
   46   2HG   GLU   5          1HG       GLU   5 -10.588   8.638  -6.980
   47    H    MET   6           H        MET   6  -7.169   8.577  -3.867
   48    HA   MET   6           HA       MET   6  -8.543   6.100  -3.395
   49   1HB   MET   6          2HB       MET   6  -5.943   7.200  -2.320
   50   2HB   MET   6          1HB       MET   6  -6.541   5.581  -1.981
   51   1HG   MET   6          2HG       MET   6  -6.266   4.889  -4.192
   52   2HG   MET   6          1HG       MET   6  -6.145   6.543  -4.788
   53   1HE   MET   6          1HE       MET   6  -4.064   4.214  -5.636
   54   2HE   MET   6          2HE       MET   6  -4.352   3.434  -4.082
   55   3HE   MET   6          3HE       MET   6  -2.725   3.957  -4.518
   56    H    GLN   7           H        GLN   7  -8.267   5.302  -0.940
   57    HA   GLN   7           HA       GLN   7  -8.539   6.886   1.236
   58   1HB   GLN   7          2HB       GLN   7 -10.860   7.141  -0.452
   59   2HB   GLN   7          1HB       GLN   7 -11.318   6.433   1.091
   60   1HG   GLN   7          2HG       GLN   7 -10.002   8.353   2.149
   61   2HG   GLN   7          1HG       GLN   7 -10.059   9.095   0.551
   62   1HE2  GLN   7          1HE2      GLN   7 -11.848  10.140  -0.061
   63   2HE2  GLN   7          2HE2      GLN   7 -13.313  10.215   0.852
   64    H    ALA   8           H        ALA   8  -9.430   5.784   3.121
   65    HA   ALA   8           HA       ALA   8  -8.830   3.039   3.130
   66   1HB   ALA   8          1HB       ALA   8 -10.461   4.522   5.184
   67   2HB   ALA   8          2HB       ALA   8  -8.700   4.556   5.100
   68   3HB   ALA   8          3HB       ALA   8  -9.538   3.038   5.420
   69    H    CYS   9           H        CYS   9 -10.366   1.329   3.935
   70    HA   CYS   9           HA       CYS   9 -12.856   1.503   2.391
   71   1HB   CYS   9          2HB       CYS   9 -12.847  -0.931   2.373
   72   2HB   CYS   9          1HB       CYS   9 -11.301  -0.321   1.793
   73    H    TRP  10           H        TRP  10 -12.245   2.414   5.265
   74    HA   TRP  10           HA       TRP  10 -13.561   0.801   7.094
   75   1HB   TRP  10          2HB       TRP  10 -13.611   3.814   7.171
   76   2HB   TRP  10          1HB       TRP  10 -13.647   2.697   8.531
   77    HD1  TRP  10           HD       TRP  10 -11.395   5.081   7.445
   78    HE1  TRP  10           1HE      TRP  10  -8.924   4.412   7.716
   79    HE3  TRP  10           3HE      TRP  10 -11.971   0.026   7.959
   80    HZ2  TRP  10           2HZ      TRP  10  -7.419   2.055   8.097
   81    HZ3  TRP  10           3HZ      TRP  10  -9.965  -1.363   8.273
   82    HH2  TRP  10           HH       TRP  10  -7.737  -0.368   8.340
   83    H    SER  11           H        SER  11 -14.820   3.038   4.726
   84    HA   SER  11           HA       SER  11 -17.522   2.839   5.786
   85   1HB   SER  11          2HB       SER  11 -16.661   5.001   4.894
   86   2HB   SER  11          1HB       SER  11 -16.546   4.261   3.297
   87    HG   SER  11           HG       SER  11 -18.760   4.030   3.264
   88    H    HIS  12           H        HIS  12 -15.684   1.852   2.929
   89    HA   HIS  12           HA       HIS  12 -17.871   0.649   1.581
   90   1HB   HIS  12          2HB       HIS  12 -15.313   1.287   0.884
   91   2HB   HIS  12          1HB       HIS  12 -15.194  -0.462   1.046
   92    HD1  HIS  12           1HD      HIS  12 -14.754   0.352  -1.698
   93    HD2  HIS  12           2HD      HIS  12 -18.614  -0.075  -0.221
   94    HE1  HIS  12           1HE      HIS  12 -16.215   0.031  -3.719
   95    HE2  HIS  12           2HE      HIS  12 -18.557  -0.139  -2.806
   96    H    SER  13           H        SER  13 -15.764  -0.400   4.120
   97    HA   SER  13           HA       SER  13 -15.721  -2.278   5.400
   98   1HB   SER  13          2HB       SER  13 -18.191  -1.962   5.439
   99   2HB   SER  13          1HB       SER  13 -18.316  -2.996   4.016
  100    HG   SER  13           HG       SER  13 -17.291  -4.650   5.302
  101    H    GLY  14           H        GLY  14 -14.247  -3.784   5.024
  102   1HA   GLY  14          2HA       GLY  14 -14.673  -5.740   2.912
  103   2HA   GLY  14          1HA       GLY  14 -13.243  -4.733   2.742
  104    H    VAL  15           H        VAL  15 -11.996  -6.685   2.871
  105    HA   VAL  15           HA       VAL  15 -11.629  -7.583   5.652
  106    HB   VAL  15           HB       VAL  15 -11.311  -9.348   3.222
  107   1HG1  VAL  15          1HG1      VAL  15  -9.873 -10.115   4.928
  108   2HG1  VAL  15          2HG1      VAL  15 -11.307 -11.139   5.018
  109   3HG1  VAL  15          3HG1      VAL  15 -11.082  -9.832   6.180
  110   1HG2  VAL  15          1HG2      VAL  15 -13.430 -10.083   3.416
  111   2HG2  VAL  15          2HG2      VAL  15 -13.703  -8.523   4.192
  112   3HG2  VAL  15          3HG2      VAL  15 -13.422  -9.959   5.174
  113    H    CYS  16           H        CYS  16  -9.870  -6.276   6.044
  114    HA   CYS  16           HA       CYS  16  -7.677  -6.037   4.231
  115   1HB   CYS  16          2HB       CYS  16  -8.192  -4.260   5.827
  116   2HB   CYS  16          1HB       CYS  16  -7.885  -5.354   7.172
  117    H    ARG  17           H        ARG  17  -6.781  -7.992   3.738
  118    HA   ARG  17           HA       ARG  17  -5.637  -9.524   5.979
  119   1HB   ARG  17          2HB       ARG  17  -7.332 -10.360   3.855
  120   2HB   ARG  17          1HB       ARG  17  -5.756 -11.088   3.586
  121   1HG   ARG  17          2HG       ARG  17  -7.382 -11.293   6.113
  122   2HG   ARG  17          1HG       ARG  17  -7.215 -12.547   4.882
  123   1HD   ARG  17          2HD       ARG  17  -4.796 -11.387   6.210
  124   2HD   ARG  17          1HD       ARG  17  -5.738 -12.644   7.012
  125    HE   ARG  17           HE       ARG  17  -4.993 -13.289   4.309
  126   1HH1  ARG  17          1HH1      ARG  17  -4.008 -13.386   7.657
  127   2HH1  ARG  17          2HH1      ARG  17  -2.907 -14.703   7.424
  128   1HH2  ARG  17          1HH2      ARG  17  -3.546 -15.022   4.003
  129   2HH2  ARG  17          2HH2      ARG  17  -2.645 -15.631   5.351
  130    H    ASP  18           H        ASP  18  -3.983 -11.184   4.389
  131    HA   ASP  18           HA       ASP  18  -1.774  -9.393   3.985
  132   1HB   ASP  18          2HB       ASP  18  -1.472 -11.630   4.988
  133   2HB   ASP  18          1HB       ASP  18  -1.974 -12.369   3.471
  134    H    LYS  19           H        LYS  19  -0.879  -8.719   2.104
  135    HA   LYS  19           HA       LYS  19  -2.347  -8.421  -0.191
  136   1HB   LYS  19          2HB       LYS  19   0.661  -8.612   0.031
  137   2HB   LYS  19          1HB       LYS  19  -0.209  -7.944  -1.343
  138   1HG   LYS  19          2HG       LYS  19  -1.274  -6.429   0.556
  139   2HG   LYS  19          1HG       LYS  19   0.256  -6.804   1.349
  140   1HD   LYS  19          2HD       LYS  19   1.108  -5.101   0.175
  141   2HD   LYS  19          1HD       LYS  19   1.023  -6.177  -1.222
  142   1HE   LYS  19          2HE       LYS  19  -1.372  -4.575  -0.431
  143   2HE   LYS  19          1HE       LYS  19  -0.060  -3.803  -1.322
  144   1HZ   LYS  19          1HZ       LYS  19  -0.303  -5.614  -2.995
  145   2HZ   LYS  19          2HZ       LYS  19  -1.639  -4.583  -2.889
  146   3HZ   LYS  19          3HZ       LYS  19  -1.701  -6.119  -2.185
  147    H    SER  20           H        SER  20  -0.481 -11.181   0.809
  148    HA   SER  20           HA       SER  20  -0.795 -12.455  -1.806
  149   1HB   SER  20          2HB       SER  20   1.412 -12.553  -0.621
  150   2HB   SER  20          1HB       SER  20   0.640 -13.515   0.638
  151    HG   SER  20           HG       SER  20   1.762 -14.609  -1.234
  152    H    GLU  21           H        GLU  21  -3.070 -11.945  -0.043
  153    HA   GLU  21           HA       GLU  21  -3.921 -14.189   1.359
  154   1HB   GLU  21          2HB       GLU  21  -5.013 -11.996   1.504
  155   2HB   GLU  21          1HB       GLU  21  -5.581 -12.161  -0.150
  156   1HG   GLU  21          2HG       GLU  21  -7.246 -12.634   1.692
  157   2HG   GLU  21          1HG       GLU  21  -7.102 -13.843   0.419
  158    H    ARG  22           H        ARG  22  -4.288 -16.159   0.690
  159    HA   ARG  22           HA       ARG  22  -4.593 -16.764  -2.110
  160   1HB   ARG  22          2HB       ARG  22  -4.783 -18.773   0.110
  161   2HB   ARG  22          1HB       ARG  22  -4.243 -19.019  -1.545
  162   1HG   ARG  22          2HG       ARG  22  -2.195 -18.950  -0.656
  163   2HG   ARG  22          1HG       ARG  22  -2.430 -17.201  -0.665
  164   1HD   ARG  22          2HD       ARG  22  -3.076 -17.186   1.616
  165   2HD   ARG  22          1HD       ARG  22  -3.233 -18.941   1.655
  166    HE   ARG  22           HE       ARG  22  -0.796 -17.393   1.854
  167   1HH1  ARG  22          1HH1      ARG  22  -2.212 -20.538   1.307
  168   2HH1  ARG  22          2HH1      ARG  22  -0.775 -21.397   1.745
  169   1HH2  ARG  22          1HH2      ARG  22   1.094 -18.524   2.428
  170   2HH2  ARG  22          2HH2      ARG  22   1.101 -20.256   2.382
  171    H    ASN  23           H        ASN  23  -6.736 -15.623  -0.082
  172    HA   ASN  23           HA       ASN  23  -8.963 -16.957  -1.389
  173   1HB   ASN  23          2HB       ASN  23  -8.221 -17.719   1.158
  174   2HB   ASN  23          1HB       ASN  23  -9.467 -16.515   1.461
  175   1HD2  ASN  23          1HD2      ASN  23  -8.781 -19.694   0.501
  176   2HD2  ASN  23          2HD2      ASN  23 -10.398 -20.195   0.155
  177    H    CYS  24           H        CYS  24  -7.872 -14.428  -1.830
  178    HA   CYS  24           HA       CYS  24  -9.517 -12.500  -0.417
  179   1HB   CYS  24          2HB       CYS  24  -6.973 -12.451  -1.494
  180   2HB   CYS  24          1HB       CYS  24  -7.913 -11.516  -2.645
  181    H    LYS  25           H        LYS  25 -10.879 -10.991  -1.502
  182    HA   LYS  25           HA       LYS  25 -12.073 -12.080  -3.961
  183   1HB   LYS  25          2HB       LYS  25 -13.216 -10.477  -1.685
  184   2HB   LYS  25          1HB       LYS  25 -14.040 -10.578  -3.235
  185   1HG   LYS  25          2HG       LYS  25 -14.546 -12.805  -2.976
  186   2HG   LYS  25          1HG       LYS  25 -13.209 -13.088  -1.861
  187   1HD   LYS  25          2HD       LYS  25 -14.582 -11.388  -0.363
  188   2HD   LYS  25          1HD       LYS  25 -15.922 -11.984  -1.344
  189   1HE   LYS  25          2HE       LYS  25 -15.086 -14.322  -0.750
  190   2HE   LYS  25          1HE       LYS  25 -14.103 -13.530   0.481
  191   1HZ   LYS  25          1HZ       LYS  25 -16.022 -14.079   1.612
  192   2HZ   LYS  25          2HZ       LYS  25 -17.037 -13.734   0.306
  193   3HZ   LYS  25          3HZ       LYS  25 -16.326 -12.472   1.179
  194    HA   PRO  26           HA       PRO  26 -10.959  -8.510  -6.289
  195   1HB   PRO  26          2HB       PRO  26 -13.180  -8.048  -7.793
  196   2HB   PRO  26          1HB       PRO  26 -12.065  -9.385  -8.096
  197   1HG   PRO  26          2HG       PRO  26 -14.691  -9.396  -6.658
  198   2HG   PRO  26          1HG       PRO  26 -14.048 -10.566  -7.826
  199   1HD   PRO  26          2HD       PRO  26 -14.001 -11.014  -5.164
  200   2HD   PRO  26          1HD       PRO  26 -12.727 -11.609  -6.247
  201    H    MET  27           H        MET  27 -10.808  -7.009  -4.550
  202    HA   MET  27           HA       MET  27 -13.056  -5.569  -3.563
  203   1HB   MET  27          2HB       MET  27 -10.505  -5.892  -2.715
  204   2HB   MET  27          1HB       MET  27 -10.395  -4.288  -3.424
  205   1HG   MET  27          2HG       MET  27 -12.728  -4.659  -1.708
  206   2HG   MET  27          1HG       MET  27 -11.187  -4.848  -0.876
  207   1HE   MET  27          1HE       MET  27 -13.870  -2.728  -1.811
  208   2HE   MET  27          2HE       MET  27 -13.309  -1.090  -1.478
  209   3HE   MET  27          3HE       MET  27 -13.339  -2.292  -0.187
  210    H    ALA  28           H        ALA  28 -13.115  -3.141  -3.685
  211    HA   ALA  28           HA       ALA  28 -12.655  -2.252  -6.452
  212   1HB   ALA  28          1HB       ALA  28 -14.917  -2.161  -6.459
  213   2HB   ALA  28          2HB       ALA  28 -14.638  -0.619  -5.649
  214   3HB   ALA  28          3HB       ALA  28 -15.026  -2.056  -4.702
  215    H    TRP  29           H        TRP  29 -10.905  -0.991  -6.376
  216    HA   TRP  29           HA       TRP  29  -9.327   0.433  -5.585
  217   1HB   TRP  29          2HB       TRP  29 -10.036   2.663  -5.753
  218   2HB   TRP  29          1HB       TRP  29 -11.108   1.760  -6.805
  219    HD1  TRP  29           HD       TRP  29 -13.611   1.172  -5.637
  220    HE1  TRP  29           1HE      TRP  29 -15.068   2.720  -4.187
  221    HE3  TRP  29           3HE      TRP  29 -10.031   4.514  -4.162
  222    HZ2  TRP  29           2HZ      TRP  29 -14.744   5.050  -2.627
  223    HZ3  TRP  29           3HZ      TRP  29 -10.689   6.374  -2.694
  224    HH2  TRP  29           HH       TRP  29 -12.998   6.637  -1.944
  225    H    THR  30           H        THR  30  -9.590   2.626  -3.762
  226    HA   THR  30           HA       THR  30  -9.334   3.116  -1.555
  227    HB   THR  30           HB       THR  30 -10.854   2.282   0.005
  228    HG1  THR  30           1HG      THR  30 -11.803   0.210  -0.193
  229   1HG2  THR  30          1HG2      THR  30 -13.007   1.866  -1.115
  230   2HG2  THR  30          2HG2      THR  30 -12.156   1.786  -2.657
  231   3HG2  THR  30          3HG2      THR  30 -12.159   3.284  -1.728
  232    H    TYR  31           H        TYR  31  -8.473   2.165   0.562
  233    HA   TYR  31           HA       TYR  31  -6.898  -0.261   0.143
  234   1HB   TYR  31          2HB       TYR  31  -4.875   0.904   1.060
  235   2HB   TYR  31          1HB       TYR  31  -5.363   1.453  -0.539
  236    HD1  TYR  31           1HD      TYR  31  -5.037   2.355   2.985
  237    HD2  TYR  31           2HD      TYR  31  -6.329   3.677  -0.847
  238    HE1  TYR  31           1HE      TYR  31  -5.102   4.670   3.813
  239    HE2  TYR  31           2HE      TYR  31  -6.397   5.995  -0.030
  240    HH   TYR  31           HH       TYR  31  -4.898   7.114   2.461
  241    H    CYS  32           H        CYS  32  -5.618  -0.729   2.267
  242    HA   CYS  32           HA       CYS  32  -7.582  -0.668   4.413
  243   1HB   CYS  32          2HB       CYS  32  -6.609  -2.819   3.932
  244   2HB   CYS  32          1HB       CYS  32  -4.979  -2.169   4.069
  245    H    GLU  33           H        GLU  33  -4.043  -0.529   4.650
  246    HA   GLU  33           HA       GLU  33  -3.797   2.100   5.543
  247   1HB   GLU  33          2HB       GLU  33  -5.033   0.485   7.473
  248   2HB   GLU  33          1HB       GLU  33  -3.369   0.652   8.013
  249   1HG   GLU  33          2HG       GLU  33  -3.885   3.204   7.402
  250   2HG   GLU  33          1HG       GLU  33  -5.513   2.666   7.813
  251    H    ASN  34           H        ASN  34  -2.621  -1.145   6.431
  252    HA   ASN  34           HA       ASN  34   0.128  -0.195   6.346
  253   1HB   ASN  34          2HB       ASN  34  -0.843  -1.817   8.102
  254   2HB   ASN  34          1HB       ASN  34  -0.730  -3.039   6.839
  255   1HD2  ASN  34          1HD2      ASN  34   0.703  -2.428   9.473
  256   2HD2  ASN  34          2HD2      ASN  34   2.375  -2.600   9.069
  257    H    ARG  35           H        ARG  35   1.632  -0.769   4.831
  258    HA   ARG  35           HA       ARG  35   0.716  -1.502   2.269
  259   1HB   ARG  35          2HB       ARG  35   3.434  -1.110   3.479
  260   2HB   ARG  35          1HB       ARG  35   3.239  -1.634   1.817
  261   1HG   ARG  35          2HG       ARG  35   1.825   0.810   2.775
  262   2HG   ARG  35          1HG       ARG  35   3.536   0.883   2.354
  263   1HD   ARG  35          2HD       ARG  35   2.716   1.333   0.298
  264   2HD   ARG  35          1HD       ARG  35   2.597  -0.425   0.205
  265    HE   ARG  35           HE       ARG  35   0.216   0.283   1.260
  266   1HH1  ARG  35          1HH1      ARG  35   1.976   1.368  -1.552
  267   2HH1  ARG  35          2HH1      ARG  35   0.548   1.758  -2.449
  268   1HH2  ARG  35          1HH2      ARG  35  -1.663   0.795   0.081
  269   2HH2  ARG  35          2HH2      ARG  35  -1.518   1.433  -1.522
  270    H    ASN  36           H        ASN  36   1.345  -3.395   4.928
  271    HA   ASN  36           HA       ASN  36   2.328  -5.694   3.445
  272   1HB   ASN  36          2HB       ASN  36   3.101  -5.085   5.795
  273   2HB   ASN  36          1HB       ASN  36   1.520  -5.626   6.352
  274   1HD2  ASN  36          1HD2      ASN  36   3.997  -6.738   7.116
  275   2HD2  ASN  36          2HD2      ASN  36   4.036  -8.376   6.565
  276    H    GLN  37           H        GLN  37  -0.654  -4.387   4.590
  277    HA   GLN  37           HA       GLN  37  -2.030  -6.838   3.716
  278   1HB   GLN  37          2HB       GLN  37  -2.602  -5.110   6.116
  279   2HB   GLN  37          1HB       GLN  37  -3.820  -6.172   5.425
  280   1HG   GLN  37          2HG       GLN  37  -2.959  -7.511   7.058
  281   2HG   GLN  37          1HG       GLN  37  -1.960  -7.987   5.686
  282   1HE2  GLN  37          1HE2      GLN  37   0.093  -8.188   6.171
  283   2HE2  GLN  37          2HE2      GLN  37   0.965  -7.268   7.344
  284    H    LYS  38           H        LYS  38  -3.977  -6.564   2.610
  285    HA   LYS  38           HA       LYS  38  -4.643  -3.792   1.866
  286   1HB   LYS  38          2HB       LYS  38  -5.072  -4.543  -0.430
  287   2HB   LYS  38          1HB       LYS  38  -3.399  -4.822   0.035
  288   1HG   LYS  38          2HG       LYS  38  -3.705  -6.870  -0.782
  289   2HG   LYS  38          1HG       LYS  38  -4.584  -7.189   0.715
  290   1HD   LYS  38          2HD       LYS  38  -6.130  -7.865  -0.845
  291   2HD   LYS  38          1HD       LYS  38  -6.603  -6.179  -0.622
  292   1HE   LYS  38          2HE       LYS  38  -5.135  -5.620  -2.587
  293   2HE   LYS  38          1HE       LYS  38  -4.963  -7.353  -2.859
  294   1HZ   LYS  38          1HZ       LYS  38  -7.275  -5.625  -3.285
  295   2HZ   LYS  38          2HZ       LYS  38  -7.585  -7.199  -2.747
  296   3HZ   LYS  38          3HZ       LYS  38  -6.733  -6.951  -4.187
  297    H    CYS  39           H        CYS  39  -6.815  -3.364   1.390
  298    HA   CYS  39           HA       CYS  39  -8.686  -5.056   2.783
  299   1HB   CYS  39          2HB       CYS  39  -8.637  -2.465   2.699
  300   2HB   CYS  39          1HB       CYS  39  -9.439  -2.650   1.143
  301    H    CYS  40           H        CYS  40  -9.969  -6.562   1.915
  302    HA   CYS  40           HA       CYS  40 -10.173  -6.671  -1.019
  303   1HB   CYS  40          2HB       CYS  40  -9.460  -8.643   0.937
  304   2HB   CYS  40          1HB       CYS  40 -10.919  -9.157   0.098
  305    H    GLU  41           H        GLU  41 -12.188  -7.877  -1.771
  306    HA   GLU  41           HA       GLU  41 -14.459  -6.423  -1.064
  307   1HB   GLU  41          2HB       GLU  41 -13.829  -8.108  -3.092
  308   2HB   GLU  41          1HB       GLU  41 -14.931  -9.121  -2.169
  309   1HG   GLU  41          2HG       GLU  41 -16.664  -7.452  -2.330
  310   2HG   GLU  41          1HG       GLU  41 -15.561  -6.347  -3.150
  311    H    TYR  42           H        TYR  42 -15.925  -6.605   0.503
  312    HA   TYR  42           HA       TYR  42 -15.711  -7.843   2.808
  313   1HB   TYR  42          2HB       TYR  42 -18.239  -7.833   2.949
  314   2HB   TYR  42          1HB       TYR  42 -17.482  -6.305   2.520
  315    HD1  TYR  42           1HD      TYR  42 -17.562  -5.511   0.165
  316    HD2  TYR  42           2HD      TYR  42 -19.716  -8.948   1.447
  317    HE1  TYR  42           1HE      TYR  42 -18.959  -5.382  -1.855
  318    HE2  TYR  42           2HE      TYR  42 -21.118  -8.829  -0.569
  319    HH   TYR  42           HH       TYR  42 -20.346  -6.960  -3.238
  Start of MODEL   13
    1   1H    ILE   1          1HT       ILE   1 -19.448   9.582  -4.020
    2   2H    ILE   1          2HT       ILE   1 -20.973  10.212  -3.548
    3   3H    ILE   1          3HT       ILE   1 -19.583  10.514  -2.588
    4    HA   ILE   1           HA       ILE   1 -20.411  11.675  -5.119
    5    HB   ILE   1           HB       ILE   1 -18.960  12.857  -2.750
    6   1HG1  ILE   1          2HG1      ILE   1 -21.855  13.370  -3.231
    7   2HG1  ILE   1          1HG1      ILE   1 -21.412  11.829  -2.506
    8   1HG2  ILE   1          1HG2      ILE   1 -20.111  14.951  -3.760
    9   2HG2  ILE   1          2HG2      ILE   1 -20.215  13.971  -5.224
   10   3HG2  ILE   1          3HG2      ILE   1 -18.642  14.323  -4.508
   11   1HD1  ILE   1          1HD1      ILE   1 -19.991  13.883  -1.160
   12   2HD1  ILE   1          2HD1      ILE   1 -21.236  12.801  -0.535
   13   3HD1  ILE   1          3HD1      ILE   1 -21.691  14.343  -1.260
   14    H    MET   2           H        MET   2 -18.828  12.926  -6.318
   15    HA   MET   2           HA       MET   2 -16.267  11.513  -6.462
   16   1HB   MET   2          2HB       MET   2 -18.070  12.381  -8.416
   17   2HB   MET   2          1HB       MET   2 -16.704  13.480  -8.548
   18   1HG   MET   2          2HG       MET   2 -15.424  11.106  -8.380
   19   2HG   MET   2          1HG       MET   2 -16.909  10.627  -9.199
   20   1HE   MET   2          1HE       MET   2 -14.353  10.093 -10.944
   21   2HE   MET   2          2HE       MET   2 -15.007  10.768 -12.436
   22   3HE   MET   2          3HE       MET   2 -16.062   9.890 -11.328
   23    H    PHE   3           H        PHE   3 -14.538  12.401  -5.558
   24    HA   PHE   3           HA       PHE   3 -13.564  14.924  -5.988
   25   1HB   PHE   3          2HB       PHE   3 -15.729  15.011  -4.149
   26   2HB   PHE   3          1HB       PHE   3 -14.256  15.332  -3.241
   27    HD1  PHE   3           1HD      PHE   3 -16.797  17.045  -4.372
   28    HD2  PHE   3           2HD      PHE   3 -12.626  16.787  -5.172
   29    HE1  PHE   3           1HE      PHE   3 -16.813  19.369  -5.180
   30    HE2  PHE   3           2HE      PHE   3 -12.634  19.111  -5.980
   31    HZ   PHE   3           HZ       PHE   3 -14.729  20.405  -5.986
   32    H    PHE   4           H        PHE   4 -13.896  12.293  -3.695
   33    HA   PHE   4           HA       PHE   4 -11.166  12.725  -2.738
   34   1HB   PHE   4          2HB       PHE   4 -11.781  10.797  -1.169
   35   2HB   PHE   4          1HB       PHE   4 -12.620  12.325  -0.927
   36    HD1  PHE   4           1HD      PHE   4 -12.940   8.845  -1.956
   37    HD2  PHE   4           2HD      PHE   4 -14.974  12.556  -1.498
   38    HE1  PHE   4           1HE      PHE   4 -15.099   7.680  -2.144
   39    HE2  PHE   4           2HE      PHE   4 -17.137  11.397  -1.684
   40    HZ   PHE   4           HZ       PHE   4 -17.201   8.955  -2.006
   41    H    GLU   5           H        GLU   5  -9.886  12.027  -4.410
   42    HA   GLU   5           HA       GLU   5 -10.157   9.980  -6.133
   43   1HB   GLU   5          2HB       GLU   5  -8.128  11.682  -5.481
   44   2HB   GLU   5          1HB       GLU   5  -7.443  10.130  -5.018
   45   1HG   GLU   5          2HG       GLU   5  -6.783  10.072  -7.156
   46   2HG   GLU   5          1HG       GLU   5  -8.429   9.510  -7.447
   47    H    MET   6           H        MET   6  -8.136   9.571  -3.227
   48    HA   MET   6           HA       MET   6  -8.976   6.747  -3.159
   49   1HB   MET   6          2HB       MET   6  -6.389   8.024  -2.257
   50   2HB   MET   6          1HB       MET   6  -6.815   6.345  -1.960
   51   1HG   MET   6          2HG       MET   6  -7.095   6.185  -4.509
   52   2HG   MET   6          1HG       MET   6  -6.185   7.693  -4.553
   53   1HE   MET   6          1HE       MET   6  -5.636   5.229  -5.995
   54   2HE   MET   6          2HE       MET   6  -5.307   3.827  -4.978
   55   3HE   MET   6          3HE       MET   6  -3.974   4.698  -5.735
   56    H    GLN   7           H        GLN   7  -8.362   5.891  -0.763
   57    HA   GLN   7           HA       GLN   7  -8.601   7.385   1.483
   58   1HB   GLN   7          2HB       GLN   7 -11.073   7.430   0.031
   59   2HB   GLN   7          1HB       GLN   7 -11.315   6.576   1.548
   60   1HG   GLN   7          2HG       GLN   7  -9.874   8.766   2.329
   61   2HG   GLN   7          1HG       GLN   7 -10.884   9.411   1.037
   62   1HE2  GLN   7          1HE2      GLN   7 -12.407  10.512   2.086
   63   2HE2  GLN   7          2HE2      GLN   7 -13.441   9.867   3.310
   64    H    ALA   8           H        ALA   8 -10.131   6.023   3.215
   65    HA   ALA   8           HA       ALA   8  -8.944   3.355   3.108
   66   1HB   ALA   8          1HB       ALA   8  -9.831   5.170   5.265
   67   2HB   ALA   8          2HB       ALA   8  -8.426   4.108   5.178
   68   3HB   ALA   8          3HB       ALA   8 -10.013   3.440   5.559
   69    H    CYS   9           H        CYS   9 -10.241   1.515   3.917
   70    HA   CYS   9           HA       CYS   9 -12.980   1.682   2.864
   71   1HB   CYS   9          2HB       CYS   9 -12.804  -0.818   2.698
   72   2HB   CYS   9          1HB       CYS   9 -11.672   0.062   1.677
   73    H    TRP  10           H        TRP  10 -12.055   2.418   5.615
   74    HA   TRP  10           HA       TRP  10 -12.734   0.525   7.512
   75   1HB   TRP  10          2HB       TRP  10 -13.282   3.481   7.771
   76   2HB   TRP  10          1HB       TRP  10 -12.967   2.335   9.070
   77    HD1  TRP  10           HD       TRP  10 -11.276   5.075   7.785
   78    HE1  TRP  10           1HE      TRP  10  -8.716   4.803   7.730
   79    HE3  TRP  10           3HE      TRP  10 -10.987  -0.012   8.224
   80    HZ2  TRP  10           2HZ      TRP  10  -6.826   2.711   7.856
   81    HZ3  TRP  10           3HZ      TRP  10  -8.765  -1.069   8.248
   82    HH2  TRP  10           HH       TRP  10  -6.730   0.266   8.067
   83    H    SER  11           H        SER  11 -14.788   2.755   5.717
   84    HA   SER  11           HA       SER  11 -17.144   1.378   6.834
   85   1HB   SER  11          2HB       SER  11 -16.910   3.805   7.473
   86   2HB   SER  11          1HB       SER  11 -17.087   4.207   5.765
   87    HG   SER  11           HG       SER  11 -19.080   4.300   6.901
   88    H    HIS  12           H        HIS  12 -15.645   0.496   4.560
   89    HA   HIS  12           HA       HIS  12 -17.739   0.734   2.515
   90   1HB   HIS  12          2HB       HIS  12 -15.241   1.893   2.251
   91   2HB   HIS  12          1HB       HIS  12 -15.068   0.368   1.389
   92    HD1  HIS  12           1HD      HIS  12 -14.966   2.976  -0.177
   93    HD2  HIS  12           2HD      HIS  12 -18.461   0.825   0.471
   94    HE1  HIS  12           1HE      HIS  12 -16.532   3.668  -2.019
   95    HE2  HIS  12           2HE      HIS  12 -18.669   2.417  -1.556
   96    H    SER  13           H        SER  13 -17.122  -1.305   4.546
   97    HA   SER  13           HA       SER  13 -17.018  -3.568   4.750
   98   1HB   SER  13          2HB       SER  13 -18.129  -3.111   2.040
   99   2HB   SER  13          1HB       SER  13 -17.525  -4.735   2.368
  100    HG   SER  13           HG       SER  13 -19.297  -3.387   4.116
  101    H    GLY  14           H        GLY  14 -16.070  -5.636   3.391
  102   1HA   GLY  14          2HA       GLY  14 -14.217  -6.397   2.066
  103   2HA   GLY  14          1HA       GLY  14 -13.423  -4.857   2.364
  104    H    VAL  15           H        VAL  15 -12.102  -7.264   2.725
  105    HA   VAL  15           HA       VAL  15 -11.889  -7.417   5.665
  106    HB   VAL  15           HB       VAL  15 -10.957  -9.616   3.840
  107   1HG1  VAL  15          1HG1      VAL  15 -10.593 -10.797   5.720
  108   2HG1  VAL  15          2HG1      VAL  15 -12.026 -10.158   6.527
  109   3HG1  VAL  15          3HG1      VAL  15 -10.542  -9.205   6.476
  110   1HG2  VAL  15          1HG2      VAL  15 -13.221 -10.679   4.687
  111   2HG2  VAL  15          2HG2      VAL  15 -13.155  -9.716   3.211
  112   3HG2  VAL  15          3HG2      VAL  15 -13.732  -8.990   4.711
  113    H    CYS  16           H        CYS  16 -10.298  -5.935   6.011
  114    HA   CYS  16           HA       CYS  16  -7.975  -5.682   4.391
  115   1HB   CYS  16          2HB       CYS  16  -8.751  -3.798   5.696
  116   2HB   CYS  16          1HB       CYS  16  -8.582  -4.711   7.191
  117    H    ARG  17           H        ARG  17  -6.994  -7.690   4.204
  118    HA   ARG  17           HA       ARG  17  -5.961  -8.904   6.666
  119   1HB   ARG  17          2HB       ARG  17  -7.008  -9.958   4.209
  120   2HB   ARG  17          1HB       ARG  17  -5.357 -10.516   4.420
  121   1HG   ARG  17          2HG       ARG  17  -7.260 -10.708   6.703
  122   2HG   ARG  17          1HG       ARG  17  -7.361 -11.879   5.388
  123   1HD   ARG  17          2HD       ARG  17  -5.880 -12.981   6.709
  124   2HD   ARG  17          1HD       ARG  17  -4.737 -11.982   5.812
  125    HE   ARG  17           HE       ARG  17  -4.277 -10.833   7.741
  126   1HH1  ARG  17          1HH1      ARG  17  -7.193 -12.695   8.195
  127   2HH1  ARG  17          2HH1      ARG  17  -7.288 -12.366   9.892
  128   1HH2  ARG  17          1HH2      ARG  17  -4.401 -10.398   9.972
  129   2HH2  ARG  17          2HH2      ARG  17  -5.704 -11.060  10.901
  130    H    ASP  18           H        ASP  18  -3.799 -10.285   5.638
  131    HA   ASP  18           HA       ASP  18  -1.977  -8.085   4.926
  132   1HB   ASP  18          2HB       ASP  18  -1.510 -10.605   6.524
  133   2HB   ASP  18          1HB       ASP  18  -0.200  -9.580   5.947
  134    H    LYS  19           H        LYS  19  -2.659  -8.536   2.677
  135    HA   LYS  19           HA       LYS  19  -2.205  -9.331   0.604
  136   1HB   LYS  19          2HB       LYS  19   0.182 -10.090   2.170
  137   2HB   LYS  19          1HB       LYS  19  -0.061 -10.988   0.679
  138   1HG   LYS  19          2HG       LYS  19  -0.489  -8.382  -0.086
  139   2HG   LYS  19          1HG       LYS  19   0.823  -8.252   1.088
  140   1HD   LYS  19          2HD       LYS  19   2.301  -9.272  -0.269
  141   2HD   LYS  19          1HD       LYS  19   1.115 -10.452  -0.832
  142   1HE   LYS  19          2HE       LYS  19   1.109  -9.339  -2.764
  143   2HE   LYS  19          1HE       LYS  19   0.236  -8.063  -1.915
  144   1HZ   LYS  19          1HZ       LYS  19   2.755  -7.478  -1.269
  145   2HZ   LYS  19          2HZ       LYS  19   1.958  -6.823  -2.609
  146   3HZ   LYS  19          3HZ       LYS  19   2.994  -8.145  -2.805
  147    H    SER  20           H        SER  20  -4.005 -10.667   2.321
  148    HA   SER  20           HA       SER  20  -3.652 -13.512   1.865
  149   1HB   SER  20          2HB       SER  20  -4.568 -12.789   4.013
  150   2HB   SER  20          1HB       SER  20  -5.903 -11.982   3.191
  151    HG   SER  20           HG       SER  20  -6.884 -13.825   3.290
  152    H    GLU  21           H        GLU  21  -4.057 -11.578  -0.370
  153    HA   GLU  21           HA       GLU  21  -6.659 -11.900  -1.427
  154   1HB   GLU  21          2HB       GLU  21  -4.926 -10.167  -2.084
  155   2HB   GLU  21          1HB       GLU  21  -4.148 -11.429  -3.025
  156   1HG   GLU  21          2HG       GLU  21  -6.959 -11.293  -3.628
  157   2HG   GLU  21          1HG       GLU  21  -6.189  -9.722  -3.842
  158    H    ARG  22           H        ARG  22  -4.383 -14.238  -0.899
  159    HA   ARG  22           HA       ARG  22  -4.766 -15.718  -3.344
  160   1HB   ARG  22          2HB       ARG  22  -3.581 -17.040  -0.972
  161   2HB   ARG  22          1HB       ARG  22  -3.075 -17.088  -2.655
  162   1HG   ARG  22          2HG       ARG  22  -1.387 -15.801  -1.971
  163   2HG   ARG  22          1HG       ARG  22  -2.570 -14.492  -2.009
  164   1HD   ARG  22          2HD       ARG  22  -2.544 -14.274   0.218
  165   2HD   ARG  22          1HD       ARG  22  -2.668 -16.015   0.467
  166    HE   ARG  22           HE       ARG  22  -0.083 -15.511  -0.378
  167   1HH1  ARG  22          1HH1      ARG  22  -2.111 -14.678   2.336
  168   2HH1  ARG  22          2HH1      ARG  22  -0.789 -14.546   3.446
  169   1HH2  ARG  22          1HH2      ARG  22   1.660 -15.339   1.081
  170   2HH2  ARG  22          2HH2      ARG  22   1.353 -14.923   2.734
  171    H    ASN  23           H        ASN  23  -6.874 -15.120  -1.099
  172    HA   ASN  23           HA       ASN  23  -8.230 -17.662  -1.421
  173   1HB   ASN  23          2HB       ASN  23  -6.788 -17.413   0.834
  174   2HB   ASN  23          1HB       ASN  23  -8.279 -16.639   1.362
  175   1HD2  ASN  23          1HD2      ASN  23  -6.867 -19.590   0.130
  176   2HD2  ASN  23          2HD2      ASN  23  -8.130 -20.643   0.658
  177    H    CYS  24           H        CYS  24  -8.240 -14.279  -0.684
  178    HA   CYS  24           HA       CYS  24 -11.150 -14.228  -0.430
  179   1HB   CYS  24          2HB       CYS  24  -9.221 -12.830   0.890
  180   2HB   CYS  24          1HB       CYS  24  -9.664 -11.684  -0.369
  181    H    LYS  25           H        LYS  25 -11.997 -11.999  -1.505
  182    HA   LYS  25           HA       LYS  25 -11.626 -12.419  -4.351
  183   1HB   LYS  25          2HB       LYS  25 -13.475 -10.474  -2.963
  184   2HB   LYS  25          1HB       LYS  25 -13.561 -11.007  -4.636
  185   1HG   LYS  25          2HG       LYS  25 -13.664 -13.179  -2.676
  186   2HG   LYS  25          1HG       LYS  25 -15.012 -12.044  -2.587
  187   1HD   LYS  25          2HD       LYS  25 -14.094 -13.364  -5.137
  188   2HD   LYS  25          1HD       LYS  25 -15.380 -14.002  -4.110
  189   1HE   LYS  25          2HE       LYS  25 -16.832 -12.306  -4.640
  190   2HE   LYS  25          1HE       LYS  25 -15.536 -11.162  -4.990
  191   1HZ   LYS  25          1HZ       LYS  25 -15.141 -12.956  -6.911
  192   2HZ   LYS  25          2HZ       LYS  25 -16.134 -11.601  -7.099
  193   3HZ   LYS  25          3HZ       LYS  25 -16.817 -13.103  -6.730
  194    HA   PRO  26           HA       PRO  26  -9.076  -8.987  -5.347
  195   1HB   PRO  26          2HB       PRO  26 -11.133  -7.922  -7.195
  196   2HB   PRO  26          1HB       PRO  26  -9.475  -8.433  -7.529
  197   1HG   PRO  26          2HG       PRO  26 -11.555  -9.922  -8.295
  198   2HG   PRO  26          1HG       PRO  26 -10.055 -10.666  -7.708
  199   1HD   PRO  26          2HD       PRO  26 -12.664 -10.279  -6.291
  200   2HD   PRO  26          1HD       PRO  26 -11.555 -11.667  -6.255
  201    H    MET  27           H        MET  27  -8.745  -7.362  -3.988
  202    HA   MET  27           HA       MET  27 -10.678  -5.965  -2.558
  203   1HB   MET  27          2HB       MET  27  -8.803  -4.239  -2.261
  204   2HB   MET  27          1HB       MET  27  -8.498  -5.876  -1.701
  205   1HG   MET  27          2HG       MET  27  -7.098  -6.353  -3.529
  206   2HG   MET  27          1HG       MET  27  -7.638  -4.928  -4.413
  207   1HE   MET  27          1HE       MET  27  -3.914  -4.851  -3.700
  208   2HE   MET  27          2HE       MET  27  -4.694  -3.478  -4.486
  209   3HE   MET  27          3HE       MET  27  -5.225  -5.121  -4.847
  210    H    ALA  28           H        ALA  28 -10.927  -3.534  -2.635
  211    HA   ALA  28           HA       ALA  28 -11.616  -2.770  -5.383
  212   1HB   ALA  28          1HB       ALA  28 -12.690  -1.848  -2.725
  213   2HB   ALA  28          2HB       ALA  28 -13.533  -2.761  -3.975
  214   3HB   ALA  28          3HB       ALA  28 -13.095  -1.078  -4.258
  215    H    TRP  29           H        TRP  29 -11.691  -0.201  -5.505
  216    HA   TRP  29           HA       TRP  29  -9.126   0.699  -5.744
  217   1HB   TRP  29          2HB       TRP  29 -10.053   2.967  -5.884
  218   2HB   TRP  29          1HB       TRP  29 -11.053   1.818  -6.770
  219    HD1  TRP  29           HD       TRP  29 -13.407   1.090  -5.555
  220    HE1  TRP  29           1HE      TRP  29 -14.928   2.435  -3.973
  221    HE3  TRP  29           3HE      TRP  29 -10.087   4.697  -4.102
  222    HZ2  TRP  29           2HZ      TRP  29 -14.745   4.720  -2.328
  223    HZ3  TRP  29           3HZ      TRP  29 -10.840   6.426  -2.523
  224    HH2  TRP  29           HH       TRP  29 -13.123   6.437  -1.656
  225    H    THR  30           H        THR  30 -11.297   1.149  -2.982
  226    HA   THR  30           HA       THR  30  -9.649   2.798  -1.442
  227    HB   THR  30           HB       THR  30 -10.971   1.983   0.491
  228    HG1  THR  30           1HG      THR  30 -11.157  -0.203  -0.239
  229   1HG2  THR  30          1HG2      THR  30 -11.910   3.491  -1.536
  230   2HG2  THR  30          2HG2      THR  30 -12.813   3.122  -0.066
  231   3HG2  THR  30          3HG2      THR  30 -13.085   2.176  -1.529
  232    H    TYR  31           H        TYR  31  -8.378   2.284   0.448
  233    HA   TYR  31           HA       TYR  31  -7.239  -0.426   0.446
  234   1HB   TYR  31          2HB       TYR  31  -4.982   0.541   0.750
  235   2HB   TYR  31          1HB       TYR  31  -5.691   0.978  -0.801
  236    HD1  TYR  31           1HD      TYR  31  -5.649   3.197  -1.465
  237    HD2  TYR  31           2HD      TYR  31  -5.334   2.287   2.678
  238    HE1  TYR  31           1HE      TYR  31  -5.255   5.574  -0.979
  239    HE2  TYR  31           2HE      TYR  31  -4.940   4.662   3.176
  240    HH   TYR  31           HH       TYR  31  -3.914   6.741   1.535
  241    H    CYS  32           H        CYS  32  -5.572  -0.465   2.438
  242    HA   CYS  32           HA       CYS  32  -7.208   0.250   4.754
  243   1HB   CYS  32          2HB       CYS  32  -5.998  -2.095   4.130
  244   2HB   CYS  32          1HB       CYS  32  -4.762  -1.364   5.144
  245    H    GLU  33           H        GLU  33  -3.684  -0.014   4.297
  246    HA   GLU  33           HA       GLU  33  -3.078   2.686   4.709
  247   1HB   GLU  33          2HB       GLU  33  -4.032   2.215   6.966
  248   2HB   GLU  33          1HB       GLU  33  -2.772   1.013   7.210
  249   1HG   GLU  33          2HG       GLU  33  -1.447   2.590   7.999
  250   2HG   GLU  33          1HG       GLU  33  -1.484   3.391   6.430
  251    H    ASN  34           H        ASN  34  -1.976  -0.577   5.592
  252    HA   ASN  34           HA       ASN  34   0.761   0.108   4.884
  253   1HB   ASN  34          2HB       ASN  34   0.218  -1.282   6.903
  254   2HB   ASN  34          1HB       ASN  34  -0.328  -2.554   5.815
  255   1HD2  ASN  34          1HD2      ASN  34   1.935  -2.293   7.783
  256   2HD2  ASN  34          2HD2      ASN  34   3.331  -2.787   6.895
  257    H    ARG  35           H        ARG  35   1.861  -0.655   3.128
  258    HA   ARG  35           HA       ARG  35   0.392  -1.382   0.847
  259   1HB   ARG  35          2HB       ARG  35   3.339  -1.369   1.452
  260   2HB   ARG  35          1HB       ARG  35   2.691  -1.762  -0.128
  261   1HG   ARG  35          2HG       ARG  35   2.026   0.813   1.244
  262   2HG   ARG  35          1HG       ARG  35   3.484   0.624   0.268
  263   1HD   ARG  35          2HD       ARG  35   2.221   1.188  -1.482
  264   2HD   ARG  35          1HD       ARG  35   1.492  -0.412  -1.339
  265    HE   ARG  35           HE       ARG  35   0.029   1.059   0.379
  266   1HH1  ARG  35          1HH1      ARG  35   0.945   1.553  -2.954
  267   2HH1  ARG  35          2HH1      ARG  35  -0.483   2.453  -3.342
  268   1HH2  ARG  35          1HH2      ARG  35  -1.848   2.240  -0.132
  269   2HH2  ARG  35          2HH2      ARG  35  -2.068   2.843  -1.741
  270    H    ASN  36           H        ASN  36   1.428  -3.238   3.424
  271    HA   ASN  36           HA       ASN  36   1.726  -5.693   1.889
  272   1HB   ASN  36          2HB       ASN  36   3.224  -5.153   3.842
  273   2HB   ASN  36          1HB       ASN  36   1.823  -5.354   4.891
  274   1HD2  ASN  36          1HD2      ASN  36   1.325  -7.326   5.580
  275   2HD2  ASN  36          2HD2      ASN  36   2.048  -8.792   5.019
  276    H    GLN  37           H        GLN  37  -0.635  -4.001   3.764
  277    HA   GLN  37           HA       GLN  37  -2.335  -6.376   3.961
  278   1HB   GLN  37          2HB       GLN  37  -2.320  -3.688   5.271
  279   2HB   GLN  37          1HB       GLN  37  -3.835  -4.575   5.170
  280   1HG   GLN  37          2HG       GLN  37  -3.200  -5.478   7.105
  281   2HG   GLN  37          1HG       GLN  37  -2.155  -6.491   6.110
  282   1HE2  GLN  37          1HE2      GLN  37   0.044  -5.714   5.749
  283   2HE2  GLN  37          2HE2      GLN  37   0.831  -4.826   7.005
  284    H    LYS  38           H        LYS  38  -4.163  -6.651   2.787
  285    HA   LYS  38           HA       LYS  38  -4.890  -4.483   0.925
  286   1HB   LYS  38          2HB       LYS  38  -5.495  -6.157  -0.714
  287   2HB   LYS  38          1HB       LYS  38  -3.835  -6.416  -0.199
  288   1HG   LYS  38          2HG       LYS  38  -4.511  -8.554  -0.051
  289   2HG   LYS  38          1HG       LYS  38  -5.098  -8.035   1.529
  290   1HD   LYS  38          2HD       LYS  38  -6.815  -9.288   0.333
  291   2HD   LYS  38          1HD       LYS  38  -7.310  -7.610   0.565
  292   1HE   LYS  38          2HE       LYS  38  -6.919  -7.071  -1.685
  293   2HE   LYS  38          1HE       LYS  38  -5.962  -8.525  -1.957
  294   1HZ   LYS  38          1HZ       LYS  38  -7.818  -9.427  -2.740
  295   2HZ   LYS  38          2HZ       LYS  38  -8.775  -8.146  -2.192
  296   3HZ   LYS  38          3HZ       LYS  38  -8.421  -9.437  -1.160
  297    H    CYS  39           H        CYS  39  -7.047  -4.044   0.598
  298    HA   CYS  39           HA       CYS  39  -8.845  -5.063   2.651
  299   1HB   CYS  39          2HB       CYS  39  -8.542  -2.574   2.000
  300   2HB   CYS  39          1HB       CYS  39  -9.561  -2.966   0.620
  301    H    CYS  40           H        CYS  40  -9.290  -7.139   1.886
  302    HA   CYS  40           HA       CYS  40  -9.982  -7.929  -0.657
  303   1HB   CYS  40          2HB       CYS  40  -9.677  -9.640   0.915
  304   2HB   CYS  40          1HB       CYS  40 -10.799  -8.914   2.055
  305    H    GLU  41           H        GLU  41 -12.006  -8.343  -1.690
  306    HA   GLU  41           HA       GLU  41 -14.042  -6.344  -0.993
  307   1HB   GLU  41          2HB       GLU  41 -13.009  -6.290  -3.277
  308   2HB   GLU  41          1HB       GLU  41 -13.729  -7.864  -3.585
  309   1HG   GLU  41          2HG       GLU  41 -15.944  -6.653  -2.918
  310   2HG   GLU  41          1HG       GLU  41 -15.033  -5.202  -3.328
  311    H    TYR  42           H        TYR  42 -15.271  -7.399   0.520
  312    HA   TYR  42           HA       TYR  42 -16.004  -9.871   0.936
  313   1HB   TYR  42          2HB       TYR  42 -18.105  -9.114   1.849
  314   2HB   TYR  42          1HB       TYR  42 -16.866  -7.907   2.173
  315    HD1  TYR  42           1HD      TYR  42 -20.150  -8.373   1.091
  316    HD2  TYR  42           2HD      TYR  42 -16.696  -6.024   0.283
  317    HE1  TYR  42           1HE      TYR  42 -21.569  -6.653   0.055
  318    HE2  TYR  42           2HE      TYR  42 -18.106  -4.298  -0.755
  319    HH   TYR  42           HH       TYR  42 -20.323  -4.126  -1.823
  Start of MODEL   14
    1   1H    ILE   1          1HT       ILE   1  -0.343  12.335  -2.497
    2   2H    ILE   1          2HT       ILE   1   1.095  13.038  -1.875
    3   3H    ILE   1          3HT       ILE   1   1.184  11.844  -3.105
    4    HA   ILE   1           HA       ILE   1   1.532  14.161  -3.823
    5    HB   ILE   1           HB       ILE   1   0.077  13.926  -5.821
    6   1HG1  ILE   1          2HG1      ILE   1  -0.908  11.315  -4.735
    7   2HG1  ILE   1          1HG1      ILE   1  -1.760  12.796  -4.310
    8   1HG2  ILE   1          1HG2      ILE   1   1.080  11.183  -5.420
    9   2HG2  ILE   1          2HG2      ILE   1   2.241  12.483  -5.144
   10   3HG2  ILE   1          3HG2      ILE   1   1.424  12.346  -6.701
   11   1HD1  ILE   1          1HD1      ILE   1  -1.801  11.273  -6.764
   12   2HD1  ILE   1          2HD1      ILE   1  -1.441  12.975  -7.047
   13   3HD1  ILE   1          3HD1      ILE   1  -2.908  12.516  -6.184
   14    H    MET   2           H        MET   2   0.211  14.794  -1.492
   15    HA   MET   2           HA       MET   2  -1.152  16.369  -0.582
   16   1HB   MET   2          2HB       MET   2  -0.193  17.527  -2.801
   17   2HB   MET   2          1HB       MET   2  -1.900  17.513  -3.219
   18   1HG   MET   2          2HG       MET   2  -1.040  18.553  -0.562
   19   2HG   MET   2          1HG       MET   2  -0.861  19.559  -1.999
   20   1HE   MET   2          1HE       MET   2  -4.284  19.574  -3.506
   21   2HE   MET   2          2HE       MET   2  -2.541  19.787  -3.672
   22   3HE   MET   2          3HE       MET   2  -3.515  21.047  -2.913
   23    H    PHE   3           H        PHE   3  -2.633  14.649  -0.055
   24    HA   PHE   3           HA       PHE   3  -4.709  13.734   0.093
   25   1HB   PHE   3          2HB       PHE   3  -5.102  16.450  -0.795
   26   2HB   PHE   3          1HB       PHE   3  -6.342  15.405  -1.481
   27    HD1  PHE   3           1HD      PHE   3  -6.952  13.494   0.530
   28    HD2  PHE   3           2HD      PHE   3  -5.947  17.604   0.993
   29    HE1  PHE   3           1HE      PHE   3  -8.179  13.549   2.662
   30    HE2  PHE   3           2HE      PHE   3  -7.172  17.666   3.127
   31    HZ   PHE   3           HZ       PHE   3  -8.290  15.638   3.963
   32    H    PHE   4           H        PHE   4  -4.945  11.861  -0.930
   33    HA   PHE   4           HA       PHE   4  -5.145  11.874  -3.867
   34   1HB   PHE   4          2HB       PHE   4  -4.605   9.388  -3.606
   35   2HB   PHE   4          1HB       PHE   4  -3.303  10.524  -3.272
   36    HD1  PHE   4           1HD      PHE   4  -5.884   8.414  -1.659
   37    HD2  PHE   4           2HD      PHE   4  -2.227  10.542  -1.197
   38    HE1  PHE   4           1HE      PHE   4  -5.582   7.405   0.564
   39    HE2  PHE   4           2HE      PHE   4  -1.918   9.536   1.027
   40    HZ   PHE   4           HZ       PHE   4  -3.596   7.965   1.910
   41    H    GLU   5           H        GLU   5  -6.920  11.074  -4.852
   42    HA   GLU   5           HA       GLU   5  -9.364  11.020  -3.730
   43   1HB   GLU   5          2HB       GLU   5  -8.699  10.829  -6.198
   44   2HB   GLU   5          1HB       GLU   5  -8.672   9.092  -5.929
   45   1HG   GLU   5          2HG       GLU   5 -10.790   9.430  -6.757
   46   2HG   GLU   5          1HG       GLU   5 -11.065   9.439  -5.015
   47    H    MET   6           H        MET   6  -7.025   8.431  -3.699
   48    HA   MET   6           HA       MET   6  -8.787   6.369  -2.857
   49   1HB   MET   6          2HB       MET   6  -5.801   6.575  -2.434
   50   2HB   MET   6          1HB       MET   6  -6.768   5.110  -2.339
   51   1HG   MET   6          2HG       MET   6  -6.743   6.708  -4.857
   52   2HG   MET   6          1HG       MET   6  -5.395   5.636  -4.478
   53   1HE   MET   6          1HE       MET   6  -5.626   2.912  -5.469
   54   2HE   MET   6          2HE       MET   6  -6.810   2.176  -4.389
   55   3HE   MET   6          3HE       MET   6  -5.634   3.327  -3.755
   56    H    GLN   7           H        GLN   7  -8.112   5.187  -0.678
   57    HA   GLN   7           HA       GLN   7  -7.264   6.448   1.566
   58   1HB   GLN   7          2HB       GLN   7  -9.724   7.606   0.713
   59   2HB   GLN   7          1HB       GLN   7 -10.031   6.718   2.199
   60   1HG   GLN   7          2HG       GLN   7  -7.960   7.953   3.102
   61   2HG   GLN   7          1HG       GLN   7  -8.207   9.038   1.735
   62   1HE2  GLN   7          1HE2      GLN   7  -9.041   8.354   4.902
   63   2HE2  GLN   7          2HE2      GLN   7 -10.400   9.411   5.050
   64    H    ALA   8           H        ALA   8  -8.909   5.632   3.575
   65    HA   ALA   8           HA       ALA   8  -8.564   2.794   3.485
   66   1HB   ALA   8          1HB       ALA   8  -9.281   2.795   5.766
   67   2HB   ALA   8          2HB       ALA   8  -9.987   4.401   5.598
   68   3HB   ALA   8          3HB       ALA   8  -8.237   4.195   5.525
   69    H    CYS   9           H        CYS   9 -10.230   1.212   3.869
   70    HA   CYS   9           HA       CYS   9 -12.698   1.893   2.457
   71   1HB   CYS   9          2HB       CYS   9 -13.033  -0.596   2.409
   72   2HB   CYS   9          1HB       CYS   9 -11.580  -0.040   1.585
   73    H    TRP  10           H        TRP  10 -12.084   2.564   5.338
   74    HA   TRP  10           HA       TRP  10 -13.557   0.974   7.074
   75   1HB   TRP  10          2HB       TRP  10 -13.032   3.947   7.188
   76   2HB   TRP  10          1HB       TRP  10 -13.653   2.985   8.525
   77    HD1  TRP  10           HD       TRP  10 -11.704   0.497   8.331
   78    HE1  TRP  10           1HE      TRP  10  -9.222   0.769   8.956
   79    HE3  TRP  10           3HE      TRP  10 -11.272   5.559   7.759
   80    HZ2  TRP  10           2HZ      TRP  10  -7.331   2.853   9.178
   81    HZ3  TRP  10           3HZ      TRP  10  -9.093   6.613   8.197
   82    HH2  TRP  10           HH       TRP  10  -7.165   5.287   8.893
   83    H    SER  11           H        SER  11 -14.591   3.285   4.710
   84    HA   SER  11           HA       SER  11 -17.270   3.478   5.827
   85   1HB   SER  11          2HB       SER  11 -16.349   5.507   4.880
   86   2HB   SER  11          1HB       SER  11 -16.025   4.692   3.350
   87    HG   SER  11           HG       SER  11 -18.016   6.016   3.526
   88    H    HIS  12           H        HIS  12 -15.580   1.913   3.186
   89    HA   HIS  12           HA       HIS  12 -18.021   0.947   1.975
   90   1HB   HIS  12          2HB       HIS  12 -15.392   1.337   1.093
   91   2HB   HIS  12          1HB       HIS  12 -15.621  -0.409   1.080
   92    HD1  HIS  12           1HD      HIS  12 -17.751  -1.255  -0.348
   93    HD2  HIS  12           2HD      HIS  12 -16.502   2.651  -1.020
   94    HE1  HIS  12           1HE      HIS  12 -18.800  -0.580  -2.533
   95    HE2  HIS  12           2HE      HIS  12 -18.097   1.815  -2.877
   96    H    SER  13           H        SER  13 -15.707  -0.145   4.307
   97    HA   SER  13           HA       SER  13 -15.634  -1.985   5.640
   98   1HB   SER  13          2HB       SER  13 -18.327  -2.771   4.521
   99   2HB   SER  13          1HB       SER  13 -17.639  -3.197   6.088
  100    HG   SER  13           HG       SER  13 -18.797  -1.529   6.691
  101    H    GLY  14           H        GLY  14 -14.334  -3.642   5.258
  102   1HA   GLY  14          2HA       GLY  14 -14.974  -5.573   3.182
  103   2HA   GLY  14          1HA       GLY  14 -13.489  -4.666   2.937
  104    H    VAL  15           H        VAL  15 -12.459  -6.790   3.022
  105    HA   VAL  15           HA       VAL  15 -12.117  -7.737   5.796
  106    HB   VAL  15           HB       VAL  15 -11.663  -9.352   3.285
  107   1HG1  VAL  15          1HG1      VAL  15 -10.390  -9.902   5.426
  108   2HG1  VAL  15          2HG1      VAL  15 -11.314 -11.206   4.680
  109   3HG1  VAL  15          3HG1      VAL  15 -11.953 -10.370   6.095
  110   1HG2  VAL  15          1HG2      VAL  15 -14.016  -8.877   3.463
  111   2HG2  VAL  15          2HG2      VAL  15 -14.014  -9.320   5.170
  112   3HG2  VAL  15          3HG2      VAL  15 -13.733 -10.551   3.939
  113    H    CYS  16           H        CYS  16 -10.441  -6.266   6.229
  114    HA   CYS  16           HA       CYS  16  -8.187  -5.812   4.658
  115   1HB   CYS  16          2HB       CYS  16  -8.716  -4.395   6.549
  116   2HB   CYS  16          1HB       CYS  16  -8.492  -5.738   7.665
  117    H    ARG  17           H        ARG  17  -7.387  -7.698   3.768
  118    HA   ARG  17           HA       ARG  17  -6.232  -9.656   5.633
  119   1HB   ARG  17          2HB       ARG  17  -7.854 -10.094   3.473
  120   2HB   ARG  17          1HB       ARG  17  -6.261 -10.323   2.767
  121   1HG   ARG  17          2HG       ARG  17  -5.767 -11.937   4.611
  122   2HG   ARG  17          1HG       ARG  17  -7.458 -11.801   5.096
  123   1HD   ARG  17          2HD       ARG  17  -8.037 -12.448   2.709
  124   2HD   ARG  17          1HD       ARG  17  -6.339 -12.880   2.522
  125    HE   ARG  17           HE       ARG  17  -6.755 -14.792   3.688
  126   1HH1  ARG  17          1HH1      ARG  17  -9.296 -12.505   4.392
  127   2HH1  ARG  17          2HH1      ARG  17 -10.223 -13.631   5.324
  128   1HH2  ARG  17          1HH2      ARG  17  -7.973 -16.275   4.916
  129   2HH2  ARG  17          2HH2      ARG  17  -9.472 -15.772   5.622
  130    H    ASP  18           H        ASP  18  -4.429 -10.786   3.691
  131    HA   ASP  18           HA       ASP  18  -2.329  -8.768   3.854
  132   1HB   ASP  18          2HB       ASP  18  -0.844 -10.709   3.193
  133   2HB   ASP  18          1HB       ASP  18  -1.677 -10.882   4.735
  134    H    LYS  19           H        LYS  19  -1.096  -8.094   2.095
  135    HA   LYS  19           HA       LYS  19  -2.381  -7.568  -0.285
  136   1HB   LYS  19          2HB       LYS  19   0.470  -7.573   0.568
  137   2HB   LYS  19          1HB       LYS  19   0.124  -7.426  -1.151
  138   1HG   LYS  19          2HG       LYS  19  -1.581  -5.663   0.299
  139   2HG   LYS  19          1HG       LYS  19   0.086  -5.415   0.813
  140   1HD   LYS  19          2HD       LYS  19  -0.407  -3.954  -1.048
  141   2HD   LYS  19          1HD       LYS  19   0.749  -5.186  -1.558
  142   1HE   LYS  19          2HE       LYS  19  -0.667  -6.047  -3.064
  143   2HE   LYS  19          1HE       LYS  19  -2.033  -5.977  -1.951
  144   1HZ   LYS  19          1HZ       LYS  19  -2.303  -4.556  -3.928
  145   2HZ   LYS  19          2HZ       LYS  19  -0.966  -3.641  -3.443
  146   3HZ   LYS  19          3HZ       LYS  19  -2.358  -3.678  -2.483
  147    H    SER  20           H        SER  20  -0.693 -10.423   0.689
  148    HA   SER  20           HA       SER  20  -0.756 -11.518  -2.024
  149   1HB   SER  20          2HB       SER  20   1.337 -11.768  -0.724
  150   2HB   SER  20          1HB       SER  20   0.452 -12.680   0.499
  151    HG   SER  20           HG       SER  20   0.617 -14.380  -0.713
  152    H    GLU  21           H        GLU  21  -3.185 -11.057  -0.548
  153    HA   GLU  21           HA       GLU  21  -4.218 -13.354   0.661
  154   1HB   GLU  21          2HB       GLU  21  -5.347 -11.282   0.974
  155   2HB   GLU  21          1HB       GLU  21  -5.525 -11.037  -0.756
  156   1HG   GLU  21          2HG       GLU  21  -6.785 -13.453   0.385
  157   2HG   GLU  21          1HG       GLU  21  -7.501 -11.898   0.807
  158    H    ARG  22           H        ARG  22  -4.531 -15.278  -0.185
  159    HA   ARG  22           HA       ARG  22  -5.287 -15.485  -3.026
  160   1HB   ARG  22          2HB       ARG  22  -4.027 -17.820  -1.700
  161   2HB   ARG  22          1HB       ARG  22  -3.897 -17.265  -3.362
  162   1HG   ARG  22          2HG       ARG  22  -1.833 -16.662  -2.764
  163   2HG   ARG  22          1HG       ARG  22  -2.632 -15.263  -2.045
  164   1HD   ARG  22          2HD       ARG  22  -1.998 -15.893  -0.005
  165   2HD   ARG  22          1HD       ARG  22  -2.731 -17.479  -0.228
  166    HE   ARG  22           HE       ARG  22  -0.419 -17.692  -1.594
  167   1HH1  ARG  22          1HH1      ARG  22  -1.163 -16.633   1.647
  168   2HH1  ARG  22          2HH1      ARG  22   0.355 -17.154   2.300
  169   1HH2  ARG  22          1HH2      ARG  22   1.577 -18.379  -0.737
  170   2HH2  ARG  22          2HH2      ARG  22   1.910 -18.144   0.946
  171    H    ASN  23           H        ASN  23  -6.824 -15.436  -0.338
  172    HA   ASN  23           HA       ASN  23  -8.428 -17.842  -0.903
  173   1HB   ASN  23          2HB       ASN  23  -7.015 -17.479   1.394
  174   2HB   ASN  23          1HB       ASN  23  -8.566 -16.779   1.844
  175   1HD2  ASN  23          1HD2      ASN  23  -7.308 -19.620   0.128
  176   2HD2  ASN  23          2HD2      ASN  23  -8.393 -20.751   0.855
  177    H    CYS  24           H        CYS  24  -8.378 -14.443  -0.182
  178    HA   CYS  24           HA       CYS  24 -11.266 -14.290   0.077
  179   1HB   CYS  24          2HB       CYS  24  -9.217 -12.826   1.153
  180   2HB   CYS  24          1HB       CYS  24  -9.749 -11.783  -0.160
  181    H    LYS  25           H        LYS  25 -12.064 -12.103  -1.167
  182    HA   LYS  25           HA       LYS  25 -11.827 -12.815  -3.976
  183   1HB   LYS  25          2HB       LYS  25 -13.727 -11.191  -2.344
  184   2HB   LYS  25          1HB       LYS  25 -13.607 -10.856  -4.065
  185   1HG   LYS  25          2HG       LYS  25 -14.860 -12.614  -4.560
  186   2HG   LYS  25          1HG       LYS  25 -13.828 -13.686  -3.612
  187   1HD   LYS  25          2HD       LYS  25 -15.799 -11.895  -2.246
  188   2HD   LYS  25          1HD       LYS  25 -16.333 -13.414  -2.968
  189   1HE   LYS  25          2HE       LYS  25 -14.133 -14.216  -1.585
  190   2HE   LYS  25          1HE       LYS  25 -14.739 -12.923  -0.552
  191   1HZ   LYS  25          1HZ       LYS  25 -15.733 -14.963   0.128
  192   2HZ   LYS  25          2HZ       LYS  25 -16.218 -15.335  -1.450
  193   3HZ   LYS  25          3HZ       LYS  25 -16.935 -14.041  -0.628
  194    HA   PRO  26           HA       PRO  26  -9.238  -9.510  -5.281
  195   1HB   PRO  26          2HB       PRO  26 -10.547  -8.509  -7.468
  196   2HB   PRO  26          1HB       PRO  26  -9.623 -10.016  -7.480
  197   1HG   PRO  26          2HG       PRO  26 -12.575  -9.606  -7.215
  198   2HG   PRO  26          1HG       PRO  26 -11.693 -10.817  -8.164
  199   1HD   PRO  26          2HD       PRO  26 -12.823 -11.412  -5.794
  200   2HD   PRO  26          1HD       PRO  26 -11.299 -12.157  -6.319
  201    H    MET  27           H        MET  27  -9.066  -7.762  -4.035
  202    HA   MET  27           HA       MET  27 -11.173  -6.204  -3.073
  203   1HB   MET  27          2HB       MET  27  -9.387  -4.532  -2.516
  204   2HB   MET  27          1HB       MET  27  -9.071  -6.162  -1.936
  205   1HG   MET  27          2HG       MET  27  -7.049  -5.860  -2.823
  206   2HG   MET  27          1HG       MET  27  -7.846  -6.218  -4.355
  207   1HE   MET  27          1HE       MET  27  -5.522  -3.528  -2.665
  208   2HE   MET  27          2HE       MET  27  -5.111  -3.131  -4.333
  209   3HE   MET  27          3HE       MET  27  -5.183  -4.816  -3.820
  210    H    ALA  28           H        ALA  28 -11.716  -3.993  -3.528
  211    HA   ALA  28           HA       ALA  28 -11.194  -3.172  -6.304
  212   1HB   ALA  28          1HB       ALA  28 -13.412  -4.044  -6.317
  213   2HB   ALA  28          2HB       ALA  28 -13.542  -2.285  -6.347
  214   3HB   ALA  28          3HB       ALA  28 -13.830  -3.164  -4.846
  215    H    TRP  29           H        TRP  29  -9.882  -1.470  -6.053
  216    HA   TRP  29           HA       TRP  29  -8.981   0.460  -5.290
  217   1HB   TRP  29          2HB       TRP  29 -10.302   2.237  -5.765
  218   2HB   TRP  29          1HB       TRP  29 -11.360   0.990  -6.397
  219    HD1  TRP  29           HD       TRP  29 -13.526   0.344  -4.862
  220    HE1  TRP  29           1HE      TRP  29 -14.852   1.766  -3.178
  221    HE3  TRP  29           3HE      TRP  29 -10.099   4.053  -4.049
  222    HZ2  TRP  29           2HZ      TRP  29 -14.498   4.145  -1.703
  223    HZ3  TRP  29           3HZ      TRP  29 -10.674   5.866  -2.489
  224    HH2  TRP  29           HH       TRP  29 -12.828   5.910  -1.341
  225    H    THR  30           H        THR  30  -9.337   2.291  -3.462
  226    HA   THR  30           HA       THR  30  -9.106   2.748  -1.244
  227    HB   THR  30           HB       THR  30 -10.741   0.708  -0.059
  228    HG1  THR  30           1HG      THR  30 -12.317   0.491  -1.411
  229   1HG2  THR  30          1HG2      THR  30 -11.207   3.629  -0.581
  230   2HG2  THR  30          2HG2      THR  30 -10.614   2.882   0.902
  231   3HG2  THR  30          3HG2      THR  30 -12.275   2.604   0.379
  232    H    TYR  31           H        TYR  31  -8.424   1.771   0.907
  233    HA   TYR  31           HA       TYR  31  -7.112  -0.821   0.637
  234   1HB   TYR  31          2HB       TYR  31  -4.989   0.156   1.566
  235   2HB   TYR  31          1HB       TYR  31  -5.364   0.644  -0.082
  236    HD1  TYR  31           1HD      TYR  31  -5.912   1.804   3.429
  237    HD2  TYR  31           2HD      TYR  31  -5.173   2.882  -0.620
  238    HE1  TYR  31           1HE      TYR  31  -5.728   4.163   4.097
  239    HE2  TYR  31           2HE      TYR  31  -4.985   5.243   0.037
  240    HH   TYR  31           HH       TYR  31  -4.572   6.256   3.162
  241    H    CYS  32           H        CYS  32  -5.864  -1.230   2.842
  242    HA   CYS  32           HA       CYS  32  -7.885  -0.935   4.912
  243   1HB   CYS  32          2HB       CYS  32  -6.990  -3.155   4.577
  244   2HB   CYS  32          1HB       CYS  32  -5.343  -2.567   4.767
  245    H    GLU  33           H        GLU  33  -4.323  -0.713   4.918
  246    HA   GLU  33           HA       GLU  33  -4.220   1.896   5.976
  247   1HB   GLU  33          2HB       GLU  33  -5.003   0.100   7.897
  248   2HB   GLU  33          1HB       GLU  33  -3.261   0.144   8.131
  249   1HG   GLU  33          2HG       GLU  33  -3.369   2.586   8.348
  250   2HG   GLU  33          1HG       GLU  33  -5.121   2.511   8.163
  251    H    ASN  34           H        ASN  34  -2.536  -1.225   6.348
  252    HA   ASN  34           HA       ASN  34   0.015   0.084   5.826
  253   1HB   ASN  34          2HB       ASN  34  -0.234  -1.608   7.661
  254   2HB   ASN  34          1HB       ASN  34  -0.521  -2.832   6.428
  255   1HD2  ASN  34          1HD2      ASN  34   1.818  -0.664   7.828
  256   2HD2  ASN  34          2HD2      ASN  34   3.218  -1.427   7.163
  257    H    ARG  35           H        ARG  35   1.418  -0.537   4.135
  258    HA   ARG  35           HA       ARG  35   0.138  -1.050   1.677
  259   1HB   ARG  35          2HB       ARG  35   3.028  -0.899   2.494
  260   2HB   ARG  35          1HB       ARG  35   2.521  -1.156   0.836
  261   1HG   ARG  35          2HG       ARG  35   1.551   1.187   2.424
  262   2HG   ARG  35          1HG       ARG  35   3.085   1.221   1.553
  263   1HD   ARG  35          2HD       ARG  35   1.573   2.138   0.036
  264   2HD   ARG  35          1HD       ARG  35   1.709   0.457  -0.479
  265    HE   ARG  35           HE       ARG  35  -0.446   0.898   1.359
  266   1HH1  ARG  35          1HH1      ARG  35   0.499   1.062  -1.997
  267   2HH1  ARG  35          2HH1      ARG  35  -1.120   0.894  -2.590
  268   1HH2  ARG  35          1HH2      ARG  35  -2.575   0.678   0.581
  269   2HH2  ARG  35          2HH2      ARG  35  -2.865   0.677  -1.127
  270    H    ASN  36           H        ASN  36   1.105  -3.137   4.086
  271    HA   ASN  36           HA       ASN  36   1.731  -5.355   2.309
  272   1HB   ASN  36          2HB       ASN  36   2.999  -4.970   4.446
  273   2HB   ASN  36          1HB       ASN  36   1.530  -5.381   5.325
  274   1HD2  ASN  36          1HD2      ASN  36   4.226  -6.556   3.574
  275   2HD2  ASN  36          2HD2      ASN  36   3.898  -8.242   3.760
  276    H    GLN  37           H        GLN  37  -0.968  -4.026   3.954
  277    HA   GLN  37           HA       GLN  37  -2.461  -6.542   3.686
  278   1HB   GLN  37          2HB       GLN  37  -2.695  -4.187   5.488
  279   2HB   GLN  37          1HB       GLN  37  -4.184  -5.004   5.029
  280   1HG   GLN  37          2HG       GLN  37  -3.745  -6.256   6.833
  281   2HG   GLN  37          1HG       GLN  37  -2.681  -7.123   5.727
  282   1HE2  GLN  37          1HE2      GLN  37  -0.794  -7.550   6.590
  283   2HE2  GLN  37          2HE2      GLN  37   0.081  -6.546   7.691
  284    H    LYS  38           H        LYS  38  -4.514  -6.553   2.688
  285    HA   LYS  38           HA       LYS  38  -5.133  -4.210   1.023
  286   1HB   LYS  38          2HB       LYS  38  -5.630  -5.653  -0.873
  287   2HB   LYS  38          1HB       LYS  38  -3.965  -5.879  -0.357
  288   1HG   LYS  38          2HG       LYS  38  -4.294  -8.047  -0.067
  289   2HG   LYS  38          1HG       LYS  38  -5.658  -7.742   1.009
  290   1HD   LYS  38          2HD       LYS  38  -6.617  -8.975  -0.710
  291   2HD   LYS  38          1HD       LYS  38  -6.980  -7.310  -1.171
  292   1HE   LYS  38          2HE       LYS  38  -5.024  -7.318  -2.662
  293   2HE   LYS  38          1HE       LYS  38  -4.715  -8.998  -2.227
  294   1HZ   LYS  38          1HZ       LYS  38  -6.920  -9.556  -3.125
  295   2HZ   LYS  38          2HZ       LYS  38  -5.891  -8.906  -4.300
  296   3HZ   LYS  38          3HZ       LYS  38  -7.114  -7.952  -3.628
  297    H    CYS  39           H        CYS  39  -7.260  -3.703   0.853
  298    HA   CYS  39           HA       CYS  39  -9.083  -4.980   2.661
  299   1HB   CYS  39          2HB       CYS  39  -8.954  -2.479   2.065
  300   2HB   CYS  39          1HB       CYS  39  -9.836  -2.912   0.604
  301    H    CYS  40           H        CYS  40  -9.449  -7.066   1.928
  302    HA   CYS  40           HA       CYS  40 -10.036  -7.811  -0.702
  303   1HB   CYS  40          2HB       CYS  40  -9.611  -9.692   0.503
  304   2HB   CYS  40          1HB       CYS  40 -10.307  -9.034   1.974
  305    H    GLU  41           H        GLU  41 -12.074  -8.471  -1.638
  306    HA   GLU  41           HA       GLU  41 -14.038  -6.491  -1.537
  307   1HB   GLU  41          2HB       GLU  41 -13.516  -8.352  -3.317
  308   2HB   GLU  41          1HB       GLU  41 -14.724  -9.265  -2.423
  309   1HG   GLU  41          2HG       GLU  41 -16.382  -7.570  -2.839
  310   2HG   GLU  41          1HG       GLU  41 -15.179  -6.539  -3.614
  311    H    TYR  42           H        TYR  42 -15.616  -6.092  -0.144
  312    HA   TYR  42           HA       TYR  42 -16.071  -7.102   2.235
  313   1HB   TYR  42          2HB       TYR  42 -18.521  -6.420   1.926
  314   2HB   TYR  42          1HB       TYR  42 -17.293  -5.190   1.661
  315    HD1  TYR  42           1HD      TYR  42 -19.846  -7.280   0.093
  316    HD2  TYR  42           2HD      TYR  42 -16.811  -4.378  -0.592
  317    HE1  TYR  42           1HE      TYR  42 -20.759  -6.865  -2.152
  318    HE2  TYR  42           2HE      TYR  42 -17.716  -3.954  -2.839
  319    HH   TYR  42           HH       TYR  42 -20.565  -4.572  -3.822
  Start of MODEL   15
    1   1H    ILE   1          1HT       ILE   1  -5.107  22.523  -3.595
    2   2H    ILE   1          2HT       ILE   1  -4.672  21.205  -4.605
    3   3H    ILE   1          3HT       ILE   1  -3.671  21.640  -3.280
    4    HA   ILE   1           HA       ILE   1  -5.335  21.026  -1.744
    5    HB   ILE   1           HB       ILE   1  -7.354  19.789  -2.641
    6   1HG1  ILE   1          2HG1      ILE   1  -6.720  21.311  -5.175
    7   2HG1  ILE   1          1HG1      ILE   1  -6.414  19.589  -4.969
    8   1HG2  ILE   1          1HG2      ILE   1  -7.404  22.678  -3.434
    9   2HG2  ILE   1          2HG2      ILE   1  -7.234  22.194  -1.747
   10   3HG2  ILE   1          3HG2      ILE   1  -8.664  21.717  -2.662
   11   1HD1  ILE   1          1HD1      ILE   1  -9.142  20.387  -4.312
   12   2HD1  ILE   1          2HD1      ILE   1  -8.551  19.057  -5.308
   13   3HD1  ILE   1          3HD1      ILE   1  -8.687  20.678  -5.991
   14    H    MET   2           H        MET   2  -5.796  18.759  -1.143
   15    HA   MET   2           HA       MET   2  -3.750  17.020  -2.264
   16   1HB   MET   2          2HB       MET   2  -5.436  16.948   0.222
   17   2HB   MET   2          1HB       MET   2  -4.558  15.520  -0.310
   18   1HG   MET   2          2HG       MET   2  -2.495  16.482   0.073
   19   2HG   MET   2          1HG       MET   2  -3.131  18.123  -0.003
   20   1HE   MET   2          1HE       MET   2  -1.868  15.709   3.164
   21   2HE   MET   2          2HE       MET   2  -1.376  17.401   3.248
   22   3HE   MET   2          3HE       MET   2  -1.210  16.508   1.735
   23    H    PHE   3           H        PHE   3  -7.195  17.378  -2.253
   24    HA   PHE   3           HA       PHE   3  -8.860  16.268  -3.332
   25   1HB   PHE   3          2HB       PHE   3  -6.435  15.547  -4.860
   26   2HB   PHE   3          1HB       PHE   3  -7.812  14.472  -5.078
   27    HD1  PHE   3           1HD      PHE   3  -6.246  16.931  -6.676
   28    HD2  PHE   3           2HD      PHE   3 -10.108  16.159  -5.064
   29    HE1  PHE   3           1HE      PHE   3  -7.227  18.523  -8.275
   30    HE2  PHE   3           2HE      PHE   3 -11.096  17.749  -6.661
   31    HZ   PHE   3           HZ       PHE   3  -9.656  18.933  -8.269
   32    H    PHE   4           H        PHE   4 -10.054  14.339  -3.222
   33    HA   PHE   4           HA       PHE   4  -8.978  12.415  -1.295
   34   1HB   PHE   4          2HB       PHE   4 -11.684  13.404  -1.982
   35   2HB   PHE   4          1HB       PHE   4 -11.575  11.707  -1.529
   36    HD1  PHE   4           1HD      PHE   4 -12.629  14.519  -0.201
   37    HD2  PHE   4           2HD      PHE   4  -9.533  11.692   0.526
   38    HE1  PHE   4           1HE      PHE   4 -12.606  15.160   2.175
   39    HE2  PHE   4           2HE      PHE   4  -9.504  12.326   2.903
   40    HZ   PHE   4           HZ       PHE   4 -11.043  14.062   3.730
   41    H    GLU   5           H        GLU   5  -8.194  12.370  -4.094
   42    HA   GLU   5           HA       GLU   5  -9.414  10.656  -5.769
   43   1HB   GLU   5          2HB       GLU   5  -7.298  11.787  -6.272
   44   2HB   GLU   5          1HB       GLU   5  -6.456  10.704  -5.171
   45   1HG   GLU   5          2HG       GLU   5  -6.413   9.016  -6.650
   46   2HG   GLU   5          1HG       GLU   5  -8.019   9.383  -7.277
   47    H    MET   6           H        MET   6  -7.752   9.817  -2.813
   48    HA   MET   6           HA       MET   6  -8.623   7.029  -3.180
   49   1HB   MET   6          2HB       MET   6  -6.051   7.877  -1.839
   50   2HB   MET   6          1HB       MET   6  -6.601   6.231  -2.112
   51   1HG   MET   6          2HG       MET   6  -6.326   6.453  -4.470
   52   2HG   MET   6          1HG       MET   6  -6.006   8.179  -4.322
   53   1HE   MET   6          1HE       MET   6  -4.429   4.764  -4.742
   54   2HE   MET   6          2HE       MET   6  -4.792   4.692  -3.018
   55   3HE   MET   6          3HE       MET   6  -3.116   4.720  -3.566
   56    H    GLN   7           H        GLN   7  -8.227   5.901  -0.860
   57    HA   GLN   7           HA       GLN   7  -8.535   7.266   1.489
   58   1HB   GLN   7          2HB       GLN   7 -10.805   7.694   0.002
   59   2HB   GLN   7          1HB       GLN   7 -11.270   6.325   0.999
   60   1HG   GLN   7          2HG       GLN   7 -11.149   7.517   2.944
   61   2HG   GLN   7          1HG       GLN   7  -9.962   8.652   2.303
   62   1HE2  GLN   7          1HE2      GLN   7 -13.323   7.634   1.820
   63   2HE2  GLN   7          2HE2      GLN   7 -13.939   9.217   1.504
   64    H    ALA   8           H        ALA   8 -10.282   5.708   2.947
   65    HA   ALA   8           HA       ALA   8  -9.105   3.030   2.607
   66   1HB   ALA   8          1HB       ALA   8  -8.476   4.353   4.661
   67   2HB   ALA   8          2HB       ALA   8  -9.138   2.745   4.957
   68   3HB   ALA   8          3HB       ALA   8 -10.150   4.172   5.186
   69    H    CYS   9           H        CYS   9 -10.517   1.337   3.875
   70    HA   CYS   9           HA       CYS   9 -13.295   1.697   2.965
   71   1HB   CYS   9          2HB       CYS   9 -13.281  -0.880   2.936
   72   2HB   CYS   9          1HB       CYS   9 -12.432  -0.035   1.647
   73    H    TRP  10           H        TRP  10 -12.159   2.424   5.579
   74    HA   TRP  10           HA       TRP  10 -12.675   0.631   7.603
   75   1HB   TRP  10          2HB       TRP  10 -13.011   3.630   7.544
   76   2HB   TRP  10          1HB       TRP  10 -13.139   2.672   9.016
   77    HD1  TRP  10           HD       TRP  10 -10.715   0.806   8.915
   78    HE1  TRP  10           1HE      TRP  10  -8.303   1.704   8.950
   79    HE3  TRP  10           3HE      TRP  10 -11.597   5.567   7.271
   80    HZ2  TRP  10           2HZ      TRP  10  -6.954   4.111   8.358
   81    HZ3  TRP  10           3HZ      TRP  10  -9.691   7.104   7.033
   82    HH2  TRP  10           HH       TRP  10  -7.417   6.390   7.567
   83    H    SER  11           H        SER  11 -14.912   2.428   5.640
   84    HA   SER  11           HA       SER  11 -17.129   1.040   6.964
   85   1HB   SER  11          2HB       SER  11 -17.147   3.275   7.917
   86   2HB   SER  11          1HB       SER  11 -17.071   3.996   6.309
   87    HG   SER  11           HG       SER  11 -19.175   4.005   6.575
   88    H    HIS  12           H        HIS  12 -15.747   0.475   4.511
   89    HA   HIS  12           HA       HIS  12 -17.912   0.988   2.577
   90   1HB   HIS  12          2HB       HIS  12 -15.344   1.845   2.299
   91   2HB   HIS  12          1HB       HIS  12 -15.261   0.284   1.489
   92    HD1  HIS  12           1HD      HIS  12 -17.928   0.215   0.039
   93    HD2  HIS  12           2HD      HIS  12 -15.528   3.600   0.245
   94    HE1  HIS  12           1HE      HIS  12 -18.595   1.632  -1.928
   95    HE2  HIS  12           2HE      HIS  12 -17.065   3.630  -1.836
   96    H    SER  13           H        SER  13 -17.160  -1.293   4.551
   97    HA   SER  13           HA       SER  13 -17.406  -3.551   4.621
   98   1HB   SER  13          2HB       SER  13 -18.860  -2.757   2.169
   99   2HB   SER  13          1HB       SER  13 -18.418  -4.461   2.276
  100    HG   SER  13           HG       SER  13 -19.470  -4.516   4.312
  101    H    GLY  14           H        GLY  14 -15.820  -4.996   4.542
  102   1HA   GLY  14          2HA       GLY  14 -14.636  -6.167   2.394
  103   2HA   GLY  14          1HA       GLY  14 -13.688  -4.704   2.623
  104    H    VAL  15           H        VAL  15 -12.508  -7.187   2.817
  105    HA   VAL  15           HA       VAL  15 -12.107  -7.504   5.724
  106    HB   VAL  15           HB       VAL  15 -11.140  -9.595   3.834
  107   1HG1  VAL  15          1HG1      VAL  15 -11.058 -10.895   5.672
  108   2HG1  VAL  15          2HG1      VAL  15 -12.561 -10.249   6.328
  109   3HG1  VAL  15          3HG1      VAL  15 -11.058  -9.345   6.513
  110   1HG2  VAL  15          1HG2      VAL  15 -14.020  -9.389   4.711
  111   2HG2  VAL  15          2HG2      VAL  15 -13.292 -10.724   3.817
  112   3HG2  VAL  15          3HG2      VAL  15 -13.432  -9.133   3.068
  113    H    CYS  16           H        CYS  16 -10.408  -6.309   6.296
  114    HA   CYS  16           HA       CYS  16  -8.156  -5.904   4.537
  115   1HB   CYS  16          2HB       CYS  16  -8.920  -4.077   5.963
  116   2HB   CYS  16          1HB       CYS  16  -8.633  -5.051   7.401
  117    H    ARG  17           H        ARG  17  -6.954  -7.704   4.242
  118    HA   ARG  17           HA       ARG  17  -5.560  -8.756   6.580
  119   1HB   ARG  17          2HB       ARG  17  -7.696 -10.141   5.541
  120   2HB   ARG  17          1HB       ARG  17  -6.336 -10.869   4.698
  121   1HG   ARG  17          2HG       ARG  17  -5.294 -11.466   6.775
  122   2HG   ARG  17          1HG       ARG  17  -6.516 -10.581   7.689
  123   1HD   ARG  17          2HD       ARG  17  -8.238 -12.113   6.823
  124   2HD   ARG  17          1HD       ARG  17  -6.984 -13.016   5.972
  125    HE   ARG  17           HE       ARG  17  -6.388 -14.002   7.955
  126   1HH1  ARG  17          1HH1      ARG  17  -8.451 -11.265   8.619
  127   2HH1  ARG  17          2HH1      ARG  17  -8.623 -11.644  10.299
  128   1HH2  ARG  17          1HH2      ARG  17  -6.614 -14.501  10.165
  129   2HH2  ARG  17          2HH2      ARG  17  -7.580 -13.481  11.177
  130    H    ASP  18           H        ASP  18  -4.258 -10.874   5.211
  131    HA   ASP  18           HA       ASP  18  -2.206  -9.407   3.894
  132   1HB   ASP  18          2HB       ASP  18  -2.686 -12.253   4.604
  133   2HB   ASP  18          1HB       ASP  18  -1.532 -11.931   3.312
  134    H    LYS  19           H        LYS  19  -1.691  -9.247   1.764
  135    HA   LYS  19           HA       LYS  19  -3.811  -9.680  -0.119
  136   1HB   LYS  19          2HB       LYS  19  -1.067  -8.823  -0.933
  137   2HB   LYS  19          1HB       LYS  19  -2.621  -8.339  -1.594
  138   1HG   LYS  19          2HG       LYS  19  -3.060  -7.053   0.466
  139   2HG   LYS  19          1HG       LYS  19  -1.452  -7.484   1.044
  140   1HD   LYS  19          2HD       LYS  19  -1.446  -5.261   0.049
  141   2HD   LYS  19          1HD       LYS  19  -0.458  -6.374  -0.898
  142   1HE   LYS  19          2HE       LYS  19  -2.200  -6.617  -2.534
  143   2HE   LYS  19          1HE       LYS  19  -3.319  -5.679  -1.544
  144   1HZ   LYS  19          1HZ       LYS  19  -2.236  -3.719  -2.026
  145   2HZ   LYS  19          2HZ       LYS  19  -2.101  -4.544  -3.495
  146   3HZ   LYS  19          3HZ       LYS  19  -0.782  -4.479  -2.438
  147    H    SER  20           H        SER  20  -0.442 -10.772   0.034
  148    HA   SER  20           HA       SER  20  -0.893 -12.699  -2.062
  149   1HB   SER  20          2HB       SER  20   1.287 -11.360  -1.496
  150   2HB   SER  20          1HB       SER  20   1.577 -12.685  -0.369
  151    HG   SER  20           HG       SER  20   1.380 -14.120  -2.150
  152    H    GLU  21           H        GLU  21  -1.950 -12.805   0.968
  153    HA   GLU  21           HA       GLU  21  -1.179 -15.596   1.417
  154   1HB   GLU  21          2HB       GLU  21  -0.799 -13.792   3.185
  155   2HB   GLU  21          1HB       GLU  21  -2.541 -13.799   3.400
  156   1HG   GLU  21          2HG       GLU  21  -2.370 -15.512   4.782
  157   2HG   GLU  21          1HG       GLU  21  -1.669 -16.486   3.491
  158    H    ARG  22           H        ARG  22  -4.049 -13.690   2.322
  159    HA   ARG  22           HA       ARG  22  -5.799 -15.888   2.125
  160   1HB   ARG  22          2HB       ARG  22  -5.912 -13.278   3.097
  161   2HB   ARG  22          1HB       ARG  22  -7.128 -13.330   1.828
  162   1HG   ARG  22          2HG       ARG  22  -7.144 -15.620   3.662
  163   2HG   ARG  22          1HG       ARG  22  -7.550 -14.063   4.387
  164   1HD   ARG  22          2HD       ARG  22  -9.303 -13.719   2.764
  165   2HD   ARG  22          1HD       ARG  22  -8.840 -15.186   1.902
  166    HE   ARG  22           HE       ARG  22 -10.436 -15.003   4.286
  167   1HH1  ARG  22          1HH1      ARG  22  -8.340 -17.059   2.399
  168   2HH1  ARG  22          2HH1      ARG  22  -8.999 -18.528   3.036
  169   1HH2  ARG  22          1HH2      ARG  22 -11.305 -16.933   5.125
  170   2HH2  ARG  22          2HH2      ARG  22 -10.683 -18.456   4.584
  171    H    ASN  23           H        ASN  23  -7.600 -16.158   0.698
  172    HA   ASN  23           HA       ASN  23  -7.072 -15.175  -2.024
  173   1HB   ASN  23          2HB       ASN  23  -7.272 -17.830  -1.051
  174   2HB   ASN  23          1HB       ASN  23  -8.713 -17.534  -2.016
  175   1HD2  ASN  23          1HD2      ASN  23  -5.452 -16.244  -2.379
  176   2HD2  ASN  23          2HD2      ASN  23  -5.174 -16.900  -3.954
  177    H    CYS  24           H        CYS  24  -8.447 -13.444  -0.696
  178    HA   CYS  24           HA       CYS  24 -11.300 -13.993  -0.814
  179   1HB   CYS  24          2HB       CYS  24  -9.826 -12.513   0.904
  180   2HB   CYS  24          1HB       CYS  24 -10.338 -11.258  -0.218
  181    H    LYS  25           H        LYS  25 -12.491 -11.746  -1.569
  182    HA   LYS  25           HA       LYS  25 -12.343 -11.785  -4.374
  183   1HB   LYS  25          2HB       LYS  25 -13.930 -10.466  -2.337
  184   2HB   LYS  25          1HB       LYS  25 -13.580  -9.374  -3.669
  185   1HG   LYS  25          2HG       LYS  25 -15.484 -10.306  -4.464
  186   2HG   LYS  25          1HG       LYS  25 -14.326 -11.479  -5.097
  187   1HD   LYS  25          2HD       LYS  25 -14.785 -12.528  -2.656
  188   2HD   LYS  25          1HD       LYS  25 -16.345 -11.762  -2.964
  189   1HE   LYS  25          2HE       LYS  25 -14.963 -13.659  -4.856
  190   2HE   LYS  25          1HE       LYS  25 -16.224 -14.127  -3.717
  191   1HZ   LYS  25          1HZ       LYS  25 -16.547 -12.120  -5.883
  192   2HZ   LYS  25          2HZ       LYS  25 -17.757 -12.657  -4.829
  193   3HZ   LYS  25          3HZ       LYS  25 -17.085 -13.722  -5.957
  194    HA   PRO  26           HA       PRO  26  -9.331  -8.729  -5.342
  195   1HB   PRO  26          2HB       PRO  26 -10.381  -7.373  -7.416
  196   2HB   PRO  26          1HB       PRO  26  -9.914  -9.072  -7.550
  197   1HG   PRO  26          2HG       PRO  26 -12.630  -7.882  -7.141
  198   2HG   PRO  26          1HG       PRO  26 -12.140  -9.214  -8.204
  199   1HD   PRO  26          2HD       PRO  26 -13.311  -9.584  -5.763
  200   2HD   PRO  26          1HD       PRO  26 -12.204 -10.755  -6.507
  201    H    MET  27           H        MET  27  -9.036  -7.294  -3.704
  202    HA   MET  27           HA       MET  27 -10.746  -5.473  -2.604
  203   1HB   MET  27          2HB       MET  27  -8.812  -4.238  -1.851
  204   2HB   MET  27          1HB       MET  27  -8.447  -5.956  -1.800
  205   1HG   MET  27          2HG       MET  27  -7.096  -5.819  -3.739
  206   2HG   MET  27          1HG       MET  27  -7.651  -4.184  -4.091
  207   1HE   MET  27          1HE       MET  27  -3.911  -3.718  -3.335
  208   2HE   MET  27          2HE       MET  27  -5.035  -4.400  -4.511
  209   3HE   MET  27          3HE       MET  27  -4.244  -5.449  -3.333
  210    H    ALA  28           H        ALA  28 -10.652  -3.051  -2.777
  211    HA   ALA  28           HA       ALA  28 -10.667  -2.254  -5.611
  212   1HB   ALA  28          1HB       ALA  28 -12.412  -1.194  -3.391
  213   2HB   ALA  28          2HB       ALA  28 -12.915  -2.338  -4.637
  214   3HB   ALA  28          3HB       ALA  28 -12.456  -0.694  -5.082
  215    H    TRP  29           H        TRP  29 -10.779   0.340  -5.585
  216    HA   TRP  29           HA       TRP  29  -8.279   1.305  -5.226
  217   1HB   TRP  29          2HB       TRP  29  -9.250   3.571  -5.199
  218   2HB   TRP  29          1HB       TRP  29 -10.027   2.545  -6.402
  219    HD1  TRP  29           HD       TRP  29 -12.544   1.677  -5.814
  220    HE1  TRP  29           1HE      TRP  29 -14.368   2.725  -4.330
  221    HE3  TRP  29           3HE      TRP  29  -9.645   4.927  -3.136
  222    HZ2  TRP  29           2HZ      TRP  29 -14.553   4.671  -2.293
  223    HZ3  TRP  29           3HZ      TRP  29 -10.723   6.346  -1.439
  224    HH2  TRP  29           HH       TRP  29 -13.127   6.220  -1.028
  225    H    THR  30           H        THR  30 -10.831   1.210  -2.794
  226    HA   THR  30           HA       THR  30  -9.568   2.729  -0.808
  227    HB   THR  30           HB       THR  30 -11.121   1.719   0.740
  228    HG1  THR  30           1HG      THR  30 -10.927  -0.439   0.220
  229   1HG2  THR  30          1HG2      THR  30 -12.524   1.834  -1.915
  230   2HG2  THR  30          2HG2      THR  30 -12.095   3.249  -0.954
  231   3HG2  THR  30          3HG2      THR  30 -13.230   2.058  -0.315
  232    H    TYR  31           H        TYR  31  -8.290   2.158   0.968
  233    HA   TYR  31           HA       TYR  31  -7.166  -0.552   0.974
  234   1HB   TYR  31          2HB       TYR  31  -4.887   0.449   1.330
  235   2HB   TYR  31          1HB       TYR  31  -5.552   0.690  -0.283
  236    HD1  TYR  31           1HD      TYR  31  -5.312   2.402   3.027
  237    HD2  TYR  31           2HD      TYR  31  -5.520   2.819  -1.202
  238    HE1  TYR  31           1HE      TYR  31  -4.961   4.825   3.255
  239    HE2  TYR  31           2HE      TYR  31  -5.169   5.243  -0.986
  240    HH   TYR  31           HH       TYR  31  -4.273   6.843   0.568
  241    H    CYS  32           H        CYS  32  -5.550  -0.670   2.953
  242    HA   CYS  32           HA       CYS  32  -7.126   0.125   5.275
  243   1HB   CYS  32          2HB       CYS  32  -5.694  -2.185   4.598
  244   2HB   CYS  32          1HB       CYS  32  -4.754  -1.427   5.878
  245    H    GLU  33           H        GLU  33  -3.622  -0.150   4.738
  246    HA   GLU  33           HA       GLU  33  -3.062   2.577   5.231
  247   1HB   GLU  33          2HB       GLU  33  -1.796   2.074   7.428
  248   2HB   GLU  33          1HB       GLU  33  -3.535   2.315   7.494
  249   1HG   GLU  33          2HG       GLU  33  -3.962   0.139   8.006
  250   2HG   GLU  33          1HG       GLU  33  -2.531  -0.455   7.167
  251    H    ASN  34           H        ASN  34  -1.919  -0.757   5.362
  252    HA   ASN  34           HA       ASN  34   0.695   0.134   4.351
  253   1HB   ASN  34          2HB       ASN  34   0.515  -1.277   6.498
  254   2HB   ASN  34          1HB       ASN  34   0.097  -2.614   5.432
  255   1HD2  ASN  34          1HD2      ASN  34   2.569  -0.212   6.132
  256   2HD2  ASN  34          2HD2      ASN  34   3.896  -1.131   5.517
  257    H    ARG  35           H        ARG  35   1.553  -0.772   2.485
  258    HA   ARG  35           HA       ARG  35  -0.308  -1.594   0.530
  259   1HB   ARG  35          2HB       ARG  35   2.690  -1.429   0.597
  260   2HB   ARG  35          1HB       ARG  35   1.812  -1.971  -0.820
  261   1HG   ARG  35          2HG       ARG  35   1.194   0.652   0.475
  262   2HG   ARG  35          1HG       ARG  35   2.506   0.486  -0.693
  263   1HD   ARG  35          2HD       ARG  35   0.711   1.136  -2.014
  264   2HD   ARG  35          1HD       ARG  35   0.723  -0.618  -2.196
  265    HE   ARG  35           HE       ARG  35  -0.978   0.307  -0.073
  266   1HH1  ARG  35          1HH1      ARG  35  -0.779  -0.343  -3.496
  267   2HH1  ARG  35          2HH1      ARG  35  -2.486  -0.569  -3.679
  268   1HH2  ARG  35          1HH2      ARG  35  -3.224   0.009  -0.312
  269   2HH2  ARG  35          2HH2      ARG  35  -3.875  -0.369  -1.872
  270    H    ASN  36           H        ASN  36   1.145  -3.337   2.953
  271    HA   ASN  36           HA       ASN  36   1.376  -5.817   1.459
  272   1HB   ASN  36          2HB       ASN  36   2.996  -5.116   3.285
  273   2HB   ASN  36          1HB       ASN  36   1.706  -5.453   4.436
  274   1HD2  ASN  36          1HD2      ASN  36   3.317  -6.978   1.667
  275   2HD2  ASN  36          2HD2      ASN  36   3.393  -8.557   2.365
  276    H    GLN  37           H        GLN  37  -1.176  -4.174   2.619
  277    HA   GLN  37           HA       GLN  37  -2.643  -6.645   3.255
  278   1HB   GLN  37          2HB       GLN  37  -2.891  -3.934   4.559
  279   2HB   GLN  37          1HB       GLN  37  -4.106  -5.193   4.726
  280   1HG   GLN  37          2HG       GLN  37  -2.973  -5.921   6.480
  281   2HG   GLN  37          1HG       GLN  37  -1.724  -6.458   5.359
  282   1HE2  GLN  37          1HE2      GLN  37   0.114  -6.019   6.386
  283   2HE2  GLN  37          2HE2      GLN  37   0.567  -4.471   7.005
  284    H    LYS  38           H        LYS  38  -4.646  -6.885   2.334
  285    HA   LYS  38           HA       LYS  38  -5.450  -4.780   0.433
  286   1HB   LYS  38          2HB       LYS  38  -6.338  -6.503  -1.010
  287   2HB   LYS  38          1HB       LYS  38  -4.660  -6.873  -0.637
  288   1HG   LYS  38          2HG       LYS  38  -5.207  -8.691   0.660
  289   2HG   LYS  38          1HG       LYS  38  -6.819  -8.080   1.026
  290   1HD   LYS  38          2HD       LYS  38  -6.849 -10.022  -0.507
  291   2HD   LYS  38          1HD       LYS  38  -7.568  -8.575  -1.214
  292   1HE   LYS  38          2HE       LYS  38  -4.707  -8.801  -1.726
  293   2HE   LYS  38          1HE       LYS  38  -5.632 -10.156  -2.370
  294   1HZ   LYS  38          1HZ       LYS  38  -5.305  -7.776  -3.600
  295   2HZ   LYS  38          2HZ       LYS  38  -6.825  -7.585  -2.884
  296   3HZ   LYS  38          3HZ       LYS  38  -6.544  -8.877  -3.939
  297    H    CYS  39           H        CYS  39  -7.716  -4.514   0.044
  298    HA   CYS  39           HA       CYS  39  -9.334  -5.175   2.405
  299   1HB   CYS  39          2HB       CYS  39  -8.981  -2.748   1.712
  300   2HB   CYS  39          1HB       CYS  39  -9.980  -3.102   0.306
  301    H    CYS  40           H        CYS  40  -9.841  -7.291   1.699
  302    HA   CYS  40           HA       CYS  40 -10.758  -8.210  -0.677
  303   1HB   CYS  40          2HB       CYS  40 -10.531  -9.777   1.066
  304   2HB   CYS  40          1HB       CYS  40 -11.610  -8.879   2.121
  305    H    GLU  41           H        GLU  41 -12.549  -8.100  -1.915
  306    HA   GLU  41           HA       GLU  41 -14.503  -6.059  -1.243
  307   1HB   GLU  41          2HB       GLU  41 -13.335  -6.731  -3.588
  308   2HB   GLU  41          1HB       GLU  41 -14.831  -7.648  -3.718
  309   1HG   GLU  41          2HG       GLU  41 -15.264  -4.921  -2.817
  310   2HG   GLU  41          1HG       GLU  41 -14.472  -5.006  -4.390
  311    H    TYR  42           H        TYR  42 -16.196  -6.589  -0.047
  312    HA   TYR  42           HA       TYR  42 -17.121  -8.855   0.866
  313   1HB   TYR  42          2HB       TYR  42 -18.230  -6.299   0.469
  314   2HB   TYR  42          1HB       TYR  42 -19.469  -7.496   0.130
  315    HD1  TYR  42           1HD      TYR  42 -20.746  -8.271   1.894
  316    HD2  TYR  42           2HD      TYR  42 -16.857  -6.742   2.688
  317    HE1  TYR  42           1HE      TYR  42 -21.135  -8.552   4.305
  318    HE2  TYR  42           2HE      TYR  42 -17.234  -7.021   5.102
  319    HH   TYR  42           HH       TYR  42 -18.616  -8.276   6.617
  Start of MODEL   16
    1   1H    ILE   1          1HT       ILE   1  -7.418  19.335  -8.308
    2   2H    ILE   1          2HT       ILE   1  -8.815  19.354  -7.310
    3   3H    ILE   1          3HT       ILE   1  -8.965  19.570  -9.007
    4    HA   ILE   1           HA       ILE   1  -8.523  17.414  -9.476
    5    HB   ILE   1           HB       ILE   1  -7.719  15.834  -7.649
    6   1HG1  ILE   1          2HG1      ILE   1  -6.439  18.141  -6.300
    7   2HG1  ILE   1          1HG1      ILE   1  -8.151  17.902  -5.966
    8   1HG2  ILE   1          1HG2      ILE   1  -6.245  16.400  -9.416
    9   2HG2  ILE   1          2HG2      ILE   1  -5.332  16.588  -7.919
   10   3HG2  ILE   1          3HG2      ILE   1  -5.959  18.009  -8.752
   11   1HD1  ILE   1          1HD1      ILE   1  -5.834  16.142  -5.325
   12   2HD1  ILE   1          2HD1      ILE   1  -7.448  15.451  -5.498
   13   3HD1  ILE   1          3HD1      ILE   1  -7.146  16.698  -4.287
   14    H    MET   2           H        MET   2 -10.593  16.861  -9.737
   15    HA   MET   2           HA       MET   2 -12.473  16.899  -7.557
   16   1HB   MET   2          2HB       MET   2 -13.018  17.486  -9.957
   17   2HB   MET   2          1HB       MET   2 -12.896  15.770 -10.325
   18   1HG   MET   2          2HG       MET   2 -14.661  15.391  -8.568
   19   2HG   MET   2          1HG       MET   2 -14.881  17.139  -8.536
   20   1HE   MET   2          1HE       MET   2 -14.281  14.315 -10.992
   21   2HE   MET   2          2HE       MET   2 -15.566  14.455 -12.191
   22   3HE   MET   2          3HE       MET   2 -15.924  13.817 -10.587
   23    H    PHE   3           H        PHE   3 -11.622  14.305  -9.854
   24    HA   PHE   3           HA       PHE   3 -12.697  12.182  -8.523
   25   1HB   PHE   3          2HB       PHE   3 -11.632  12.148 -10.796
   26   2HB   PHE   3          1HB       PHE   3 -10.065  12.080  -9.998
   27    HD1  PHE   3           1HD      PHE   3  -9.151  10.038  -9.381
   28    HD2  PHE   3           2HD      PHE   3 -13.306  10.288 -10.263
   29    HE1  PHE   3           1HE      PHE   3  -9.322   7.586  -9.255
   30    HE2  PHE   3           2HE      PHE   3 -13.485   7.837 -10.138
   31    HZ   PHE   3           HZ       PHE   3 -11.491   6.483  -9.633
   32    H    PHE   4           H        PHE   4 -12.310  11.128  -6.681
   33    HA   PHE   4           HA       PHE   4 -10.127  11.979  -4.995
   34   1HB   PHE   4          2HB       PHE   4 -12.307   9.930  -4.544
   35   2HB   PHE   4          1HB       PHE   4 -11.151  10.454  -3.324
   36    HD1  PHE   4           1HD      PHE   4 -14.107  11.370  -5.262
   37    HD2  PHE   4           2HD      PHE   4 -11.315  12.646  -2.315
   38    HE1  PHE   4           1HE      PHE   4 -15.609  13.220  -4.646
   39    HE2  PHE   4           2HE      PHE   4 -12.810  14.498  -1.692
   40    HZ   PHE   4           HZ       PHE   4 -14.961  14.787  -2.859
   41    H    GLU   5           H        GLU   5  -8.169  11.172  -5.370
   42    HA   GLU   5           HA       GLU   5  -7.390   9.036  -6.804
   43   1HB   GLU   5          2HB       GLU   5  -6.178  10.771  -4.902
   44   2HB   GLU   5          1HB       GLU   5  -5.631   9.134  -4.569
   45   1HG   GLU   5          2HG       GLU   5  -4.099   9.495  -6.134
   46   2HG   GLU   5          1HG       GLU   5  -5.410   9.296  -7.296
   47    H    MET   6           H        MET   6  -7.204   8.804  -3.264
   48    HA   MET   6           HA       MET   6  -8.441   6.153  -3.390
   49   1HB   MET   6          2HB       MET   6  -5.807   6.742  -2.027
   50   2HB   MET   6          1HB       MET   6  -6.684   5.222  -1.927
   51   1HG   MET   6          2HG       MET   6  -6.484   5.479  -4.597
   52   2HG   MET   6          1HG       MET   6  -5.016   6.312  -4.088
   53   1HE   MET   6          1HE       MET   6  -3.445   3.979  -5.405
   54   2HE   MET   6          2HE       MET   6  -5.126   4.068  -5.928
   55   3HE   MET   6          3HE       MET   6  -4.456   2.534  -5.372
   56    H    GLN   7           H        GLN   7  -8.310   5.349  -0.845
   57    HA   GLN   7           HA       GLN   7  -8.576   7.117   1.214
   58   1HB   GLN   7          2HB       GLN   7 -10.711   7.479  -0.560
   59   2HB   GLN   7          1HB       GLN   7 -11.383   6.554   0.775
   60   1HG   GLN   7          2HG       GLN   7 -11.084   8.238   2.282
   61   2HG   GLN   7          1HG       GLN   7  -9.711   8.921   1.414
   62   1HE2  GLN   7          1HE2      GLN   7 -11.980  10.323   2.453
   63   2HE2  GLN   7          2HE2      GLN   7 -12.776  11.069   1.113
   64    H    ALA   8           H        ALA   8  -9.939   6.192   3.069
   65    HA   ALA   8           HA       ALA   8  -9.217   3.447   3.371
   66   1HB   ALA   8          1HB       ALA   8  -9.599   5.488   5.107
   67   2HB   ALA   8          2HB       ALA   8  -9.539   3.788   5.570
   68   3HB   ALA   8          3HB       ALA   8 -11.095   4.580   5.327
   69    H    CYS   9           H        CYS   9 -10.785   1.788   4.151
   70    HA   CYS   9           HA       CYS   9 -13.256   1.930   2.557
   71   1HB   CYS   9          2HB       CYS   9 -13.194  -0.540   2.549
   72   2HB   CYS   9          1HB       CYS   9 -11.752   0.165   1.825
   73    H    TRP  10           H        TRP  10 -12.732   2.839   5.399
   74    HA   TRP  10           HA       TRP  10 -13.911   1.137   7.242
   75   1HB   TRP  10          2HB       TRP  10 -14.222   4.132   7.315
   76   2HB   TRP  10          1HB       TRP  10 -14.129   3.018   8.674
   77    HD1  TRP  10           HD       TRP  10 -12.145   5.615   7.676
   78    HE1  TRP  10           1HE      TRP  10  -9.614   5.185   7.857
   79    HE3  TRP  10           3HE      TRP  10 -12.199   0.506   7.903
   80    HZ2  TRP  10           2HZ      TRP  10  -7.871   2.975   8.068
   81    HZ3  TRP  10           3HZ      TRP  10 -10.057  -0.688   8.093
   82    HH2  TRP  10           HH       TRP  10  -7.939   0.522   8.173
   83    H    SER  11           H        SER  11 -15.422   3.725   5.326
   84    HA   SER  11           HA       SER  11 -18.065   2.835   6.152
   85   1HB   SER  11          2HB       SER  11 -17.803   5.206   6.109
   86   2HB   SER  11          1HB       SER  11 -17.107   5.168   4.490
   87    HG   SER  11           HG       SER  11 -19.544   5.638   4.970
   88    H    HIS  12           H        HIS  12 -16.013   1.600   4.040
   89    HA   HIS  12           HA       HIS  12 -18.030   1.163   1.942
   90   1HB   HIS  12          2HB       HIS  12 -15.047   1.312   1.884
   91   2HB   HIS  12          1HB       HIS  12 -15.861   0.278   0.714
   92    HD1  HIS  12           1HD      HIS  12 -17.659   1.545  -0.851
   93    HD2  HIS  12           2HD      HIS  12 -14.991   3.958   1.230
   94    HE1  HIS  12           1HE      HIS  12 -17.750   3.785  -1.990
   95    HE2  HIS  12           2HE      HIS  12 -16.070   5.207  -0.762
   96    H    SER  13           H        SER  13 -16.126  -0.334   4.396
   97    HA   SER  13           HA       SER  13 -16.102  -2.446   5.235
   98   1HB   SER  13          2HB       SER  13 -18.660  -2.147   4.461
   99   2HB   SER  13          1HB       SER  13 -18.194  -3.466   3.387
  100    HG   SER  13           HG       SER  13 -17.963  -3.424   6.218
  101    H    GLY  14           H        GLY  14 -15.117  -4.423   4.815
  102   1HA   GLY  14          2HA       GLY  14 -14.811  -5.588   2.277
  103   2HA   GLY  14          1HA       GLY  14 -13.434  -4.537   2.570
  104    H    VAL  15           H        VAL  15 -11.971  -6.248   2.621
  105    HA   VAL  15           HA       VAL  15 -11.960  -7.716   5.150
  106    HB   VAL  15           HB       VAL  15 -11.410  -9.104   2.526
  107   1HG1  VAL  15          1HG1      VAL  15 -10.264 -10.390   3.996
  108   2HG1  VAL  15          2HG1      VAL  15 -11.866 -11.066   4.287
  109   3HG1  VAL  15          3HG1      VAL  15 -11.212  -9.847   5.381
  110   1HG2  VAL  15          1HG2      VAL  15 -13.671  -8.963   2.340
  111   2HG2  VAL  15          2HG2      VAL  15 -13.915  -8.770   4.076
  112   3HG2  VAL  15          3HG2      VAL  15 -13.582 -10.366   3.404
  113    H    CYS  16           H        CYS  16 -10.275  -6.319   5.771
  114    HA   CYS  16           HA       CYS  16  -7.934  -5.901   4.241
  115   1HB   CYS  16          2HB       CYS  16  -8.578  -4.381   6.041
  116   2HB   CYS  16          1HB       CYS  16  -8.377  -5.668   7.224
  117    H    ARG  17           H        ARG  17  -7.053  -7.807   3.520
  118    HA   ARG  17           HA       ARG  17  -5.879  -9.528   5.601
  119   1HB   ARG  17          2HB       ARG  17  -7.835 -10.311   3.797
  120   2HB   ARG  17          1HB       ARG  17  -6.345 -10.886   3.061
  121   1HG   ARG  17          2HG       ARG  17  -7.164 -12.650   4.392
  122   2HG   ARG  17          1HG       ARG  17  -5.799 -11.960   5.271
  123   1HD   ARG  17          2HD       ARG  17  -7.291 -10.743   6.722
  124   2HD   ARG  17          1HD       ARG  17  -8.688 -11.266   5.783
  125    HE   ARG  17           HE       ARG  17  -7.252 -13.504   6.753
  126   1HH1  ARG  17          1HH1      ARG  17  -9.416 -10.974   7.801
  127   2HH1  ARG  17          2HH1      ARG  17 -10.064 -11.901   9.112
  128   1HH2  ARG  17          1HH2      ARG  17  -8.105 -14.724   8.476
  129   2HH2  ARG  17          2HH2      ARG  17  -9.321 -14.030   9.495
  130    H    ASP  18           H        ASP  18  -4.288 -11.130   4.114
  131    HA   ASP  18           HA       ASP  18  -2.146  -9.372   3.429
  132   1HB   ASP  18          2HB       ASP  18  -2.281 -12.343   2.902
  133   2HB   ASP  18          1HB       ASP  18  -0.839 -11.350   3.092
  134    H    LYS  19           H        LYS  19  -1.415  -8.727   1.480
  135    HA   LYS  19           HA       LYS  19  -3.106  -8.722  -0.739
  136   1HB   LYS  19          2HB       LYS  19  -0.601  -7.601  -0.027
  137   2HB   LYS  19          1HB       LYS  19  -0.386  -8.391  -1.583
  138   1HG   LYS  19          2HG       LYS  19  -2.826  -6.961  -1.646
  139   2HG   LYS  19          1HG       LYS  19  -1.577  -5.888  -1.016
  140   1HD   LYS  19          2HD       LYS  19  -0.269  -7.068  -3.085
  141   2HD   LYS  19          1HD       LYS  19  -1.920  -7.023  -3.707
  142   1HE   LYS  19          2HE       LYS  19  -0.376  -4.668  -2.628
  143   2HE   LYS  19          1HE       LYS  19  -0.664  -5.017  -4.332
  144   1HZ   LYS  19          1HZ       LYS  19  -2.207  -3.411  -2.901
  145   2HZ   LYS  19          2HZ       LYS  19  -3.017  -4.870  -2.628
  146   3HZ   LYS  19          3HZ       LYS  19  -2.789  -4.314  -4.208
  147    H    SER  20           H        SER  20  -0.456 -10.827   0.130
  148    HA   SER  20           HA       SER  20  -0.846 -12.378  -2.327
  149   1HB   SER  20          2HB       SER  20   1.477 -11.561  -1.438
  150   2HB   SER  20          1HB       SER  20   1.336 -12.935  -0.344
  151    HG   SER  20           HG       SER  20   0.890 -14.168  -2.359
  152    H    GLU  21           H        GLU  21  -2.773 -12.461  -0.168
  153    HA   GLU  21           HA       GLU  21  -2.381 -14.861   1.324
  154   1HB   GLU  21          2HB       GLU  21  -3.863 -12.766   1.816
  155   2HB   GLU  21          1HB       GLU  21  -5.051 -13.597   0.831
  156   1HG   GLU  21          2HG       GLU  21  -4.000 -15.422   2.753
  157   2HG   GLU  21          1HG       GLU  21  -4.482 -13.938   3.571
  158    H    ARG  22           H        ARG  22  -4.583 -16.335   1.146
  159    HA   ARG  22           HA       ARG  22  -4.731 -17.181  -1.669
  160   1HB   ARG  22          2HB       ARG  22  -5.007 -19.149   0.562
  161   2HB   ARG  22          1HB       ARG  22  -4.494 -19.412  -1.099
  162   1HG   ARG  22          2HG       ARG  22  -2.510 -19.638  -0.007
  163   2HG   ARG  22          1HG       ARG  22  -2.466 -17.918  -0.379
  164   1HD   ARG  22          2HD       ARG  22  -2.955 -17.302   1.806
  165   2HD   ARG  22          1HD       ARG  22  -3.640 -18.879   2.200
  166    HE   ARG  22           HE       ARG  22  -1.052 -19.456   1.707
  167   1HH1  ARG  22          1HH1      ARG  22  -2.602 -17.094   3.756
  168   2HH1  ARG  22          2HH1      ARG  22  -1.321 -17.082   4.922
  169   1HH2  ARG  22          1HH2      ARG  22   0.633 -19.441   3.238
  170   2HH2  ARG  22          2HH2      ARG  22   0.515 -18.414   4.628
  171    H    ASN  23           H        ASN  23  -6.530 -15.567   0.255
  172    HA   ASN  23           HA       ASN  23  -8.997 -16.820  -0.624
  173   1HB   ASN  23          2HB       ASN  23  -8.149 -17.438   1.880
  174   2HB   ASN  23          1HB       ASN  23  -9.081 -15.981   2.207
  175   1HD2  ASN  23          1HD2      ASN  23  -9.173 -19.295   1.372
  176   2HD2  ASN  23          2HD2      ASN  23 -10.892 -19.473   1.335
  177    H    CYS  24           H        CYS  24  -7.660 -14.444  -1.412
  178    HA   CYS  24           HA       CYS  24  -9.179 -12.275  -0.188
  179   1HB   CYS  24          2HB       CYS  24  -6.594 -12.435  -1.097
  180   2HB   CYS  24          1HB       CYS  24  -7.404 -11.626  -2.430
  181    H    LYS  25           H        LYS  25 -10.846 -11.270  -1.150
  182    HA   LYS  25           HA       LYS  25 -11.791 -12.335  -3.698
  183   1HB   LYS  25          2HB       LYS  25 -13.104 -10.564  -1.632
  184   2HB   LYS  25          1HB       LYS  25 -13.875 -11.057  -3.132
  185   1HG   LYS  25          2HG       LYS  25 -12.979 -12.856  -0.892
  186   2HG   LYS  25          1HG       LYS  25 -14.640 -12.453  -1.332
  187   1HD   LYS  25          2HD       LYS  25 -13.687 -13.398  -3.692
  188   2HD   LYS  25          1HD       LYS  25 -12.771 -14.375  -2.542
  189   1HE   LYS  25          2HE       LYS  25 -14.616 -15.687  -2.693
  190   2HE   LYS  25          1HE       LYS  25 -15.181 -14.595  -1.429
  191   1HZ   LYS  25          1HZ       LYS  25 -15.673 -13.890  -4.235
  192   2HZ   LYS  25          2HZ       LYS  25 -16.583 -13.518  -2.858
  193   3HZ   LYS  25          3HZ       LYS  25 -16.641 -15.076  -3.514
  194    HA   PRO  26           HA       PRO  26 -10.817  -8.995  -6.391
  195   1HB   PRO  26          2HB       PRO  26 -13.418  -8.191  -7.142
  196   2HB   PRO  26          1HB       PRO  26 -12.384  -9.347  -7.983
  197   1HG   PRO  26          2HG       PRO  26 -14.604  -9.836  -6.066
  198   2HG   PRO  26          1HG       PRO  26 -14.084 -10.802  -7.458
  199   1HD   PRO  26          2HD       PRO  26 -13.546 -11.579  -4.957
  200   2HD   PRO  26          1HD       PRO  26 -12.368 -11.822  -6.265
  201    H    MET  27           H        MET  27 -10.031  -7.615  -4.738
  202    HA   MET  27           HA       MET  27 -11.518  -6.006  -3.047
  203   1HB   MET  27          2HB       MET  27  -9.545  -4.719  -2.721
  204   2HB   MET  27          1HB       MET  27  -9.023  -6.372  -3.016
  205   1HG   MET  27          2HG       MET  27  -7.574  -5.364  -4.401
  206   2HG   MET  27          1HG       MET  27  -8.933  -5.434  -5.520
  207   1HE   MET  27          1HE       MET  27  -7.190  -1.819  -3.373
  208   2HE   MET  27          2HE       MET  27  -6.221  -2.896  -4.379
  209   3HE   MET  27          3HE       MET  27  -7.021  -3.519  -2.935
  210    H    ALA  28           H        ALA  28 -11.687  -3.605  -3.132
  211    HA   ALA  28           HA       ALA  28 -12.197  -2.585  -5.837
  212   1HB   ALA  28          1HB       ALA  28 -14.334  -3.355  -4.868
  213   2HB   ALA  28          2HB       ALA  28 -14.305  -1.615  -5.155
  214   3HB   ALA  28          3HB       ALA  28 -14.098  -2.242  -3.520
  215    H    TRP  29           H        TRP  29 -10.403  -1.273  -5.783
  216    HA   TRP  29           HA       TRP  29  -8.947   0.330  -5.072
  217   1HB   TRP  29          2HB       TRP  29  -9.883   2.467  -5.320
  218   2HB   TRP  29          1HB       TRP  29 -10.859   1.415  -6.323
  219    HD1  TRP  29           HD       TRP  29 -13.272   0.599  -5.071
  220    HE1  TRP  29           1HE      TRP  29 -14.882   2.063  -3.698
  221    HE3  TRP  29           3HE      TRP  29 -10.079   4.404  -3.863
  222    HZ2  TRP  29           2HZ      TRP  29 -14.808   4.509  -2.290
  223    HZ3  TRP  29           3HZ      TRP  29 -10.929   6.270  -2.503
  224    HH2  TRP  29           HH       TRP  29 -13.247   6.320  -1.735
  225    H    THR  30           H        THR  30  -9.442   2.573  -3.342
  226    HA   THR  30           HA       THR  30  -9.181   3.180  -1.167
  227    HB   THR  30           HB       THR  30 -10.629   2.327   0.436
  228    HG1  THR  30           1HG      THR  30 -10.215  -0.148  -0.825
  229   1HG2  THR  30          1HG2      THR  30 -12.048   3.062  -1.322
  230   2HG2  THR  30          2HG2      THR  30 -12.728   1.581  -0.647
  231   3HG2  THR  30          3HG2      THR  30 -11.864   1.536  -2.184
  232    H    TYR  31           H        TYR  31  -8.517   2.050   1.120
  233    HA   TYR  31           HA       TYR  31  -6.638  -0.117   0.723
  234   1HB   TYR  31          2HB       TYR  31  -4.801   1.319   1.817
  235   2HB   TYR  31          1HB       TYR  31  -5.129   1.568   0.107
  236    HD1  TYR  31           1HD      TYR  31  -5.119   3.764  -0.576
  237    HD2  TYR  31           2HD      TYR  31  -6.440   2.864   3.367
  238    HE1  TYR  31           1HE      TYR  31  -5.481   6.160  -0.157
  239    HE2  TYR  31           2HE      TYR  31  -6.808   5.256   3.796
  240    HH   TYR  31           HH       TYR  31  -6.051   7.415   2.960
  241    H    CYS  32           H        CYS  32  -5.666  -0.840   2.765
  242    HA   CYS  32           HA       CYS  32  -7.577  -0.558   4.939
  243   1HB   CYS  32          2HB       CYS  32  -6.905  -2.813   4.320
  244   2HB   CYS  32          1HB       CYS  32  -5.211  -2.408   4.576
  245    H    GLU  33           H        GLU  33  -4.026  -0.835   4.963
  246    HA   GLU  33           HA       GLU  33  -3.649   1.676   6.265
  247   1HB   GLU  33          2HB       GLU  33  -3.984  -0.757   7.891
  248   2HB   GLU  33          1HB       GLU  33  -2.555   0.194   8.277
  249   1HG   GLU  33          2HG       GLU  33  -4.468   2.121   8.127
  250   2HG   GLU  33          1HG       GLU  33  -5.382   0.755   8.765
  251    H    ASN  34           H        ASN  34  -2.037  -1.495   6.522
  252    HA   ASN  34           HA       ASN  34   0.469  -0.263   5.706
  253   1HB   ASN  34          2HB       ASN  34   0.149  -1.975   7.634
  254   2HB   ASN  34          1HB       ASN  34   0.125  -3.178   6.349
  255   1HD2  ASN  34          1HD2      ASN  34   2.000  -4.051   5.892
  256   2HD2  ASN  34          2HD2      ASN  34   3.551  -3.333   6.139
  257    H    ARG  35           H        ARG  35   1.774  -1.104   3.993
  258    HA   ARG  35           HA       ARG  35   0.328  -1.635   1.634
  259   1HB   ARG  35          2HB       ARG  35   3.257  -1.663   2.301
  260   2HB   ARG  35          1HB       ARG  35   2.652  -1.974   0.685
  261   1HG   ARG  35          2HG       ARG  35   1.937   0.520   2.179
  262   2HG   ARG  35          1HG       ARG  35   3.416   0.391   1.227
  263   1HD   ARG  35          2HD       ARG  35   2.043   1.224  -0.382
  264   2HD   ARG  35          1HD       ARG  35   1.699  -0.492  -0.599
  265    HE   ARG  35           HE       ARG  35  -0.147   0.258   1.216
  266   1HH1  ARG  35          1HH1      ARG  35   0.783   1.566  -1.884
  267   2HH1  ARG  35          2HH1      ARG  35  -0.794   2.186  -2.235
  268   1HH2  ARG  35          1HH2      ARG  35  -2.223   1.071   0.755
  269   2HH2  ARG  35          2HH2      ARG  35  -2.502   1.904  -0.739
  270    H    ASN  36           H        ASN  36   1.231  -3.685   4.091
  271    HA   ASN  36           HA       ASN  36   1.648  -6.017   2.408
  272   1HB   ASN  36          2HB       ASN  36   2.948  -5.637   4.531
  273   2HB   ASN  36          1HB       ASN  36   1.455  -5.910   5.422
  274   1HD2  ASN  36          1HD2      ASN  36   4.207  -7.333   4.410
  275   2HD2  ASN  36          2HD2      ASN  36   3.702  -8.985   4.392
  276    H    GLN  37           H        GLN  37  -0.911  -4.429   4.070
  277    HA   GLN  37           HA       GLN  37  -2.661  -6.745   3.563
  278   1HB   GLN  37          2HB       GLN  37  -2.785  -4.741   5.819
  279   2HB   GLN  37          1HB       GLN  37  -4.074  -5.879   5.453
  280   1HG   GLN  37          2HG       GLN  37  -3.067  -7.469   6.608
  281   2HG   GLN  37          1HG       GLN  37  -1.593  -7.284   5.659
  282   1HE2  GLN  37          1HE2      GLN  37  -0.188  -7.543   7.341
  283   2HE2  GLN  37          2HE2      GLN  37  -0.025  -6.404   8.629
  284    H    LYS  38           H        LYS  38  -4.320  -6.393   2.223
  285    HA   LYS  38           HA       LYS  38  -5.015  -3.593   1.610
  286   1HB   LYS  38          2HB       LYS  38  -5.497  -4.245  -0.651
  287   2HB   LYS  38          1HB       LYS  38  -3.890  -4.825  -0.243
  288   1HG   LYS  38          2HG       LYS  38  -4.454  -6.949  -0.593
  289   2HG   LYS  38          1HG       LYS  38  -5.953  -6.791   0.319
  290   1HD   LYS  38          2HD       LYS  38  -7.033  -6.942  -1.624
  291   2HD   LYS  38          1HD       LYS  38  -6.404  -5.339  -2.009
  292   1HE   LYS  38          2HE       LYS  38  -4.604  -6.222  -3.231
  293   2HE   LYS  38          1HE       LYS  38  -4.820  -7.832  -2.548
  294   1HZ   LYS  38          1HZ       LYS  38  -6.090  -6.624  -4.824
  295   2HZ   LYS  38          2HZ       LYS  38  -7.192  -7.354  -3.768
  296   3HZ   LYS  38          3HZ       LYS  38  -5.921  -8.258  -4.423
  297    H    CYS  39           H        CYS  39  -7.202  -3.096   1.187
  298    HA   CYS  39           HA       CYS  39  -9.058  -4.678   2.727
  299   1HB   CYS  39          2HB       CYS  39  -8.920  -2.091   2.570
  300   2HB   CYS  39          1HB       CYS  39  -9.815  -2.288   1.067
  301    H    CYS  40           H        CYS  40  -9.097  -6.598   1.449
  302    HA   CYS  40           HA       CYS  40  -9.830  -6.636  -1.277
  303   1HB   CYS  40          2HB       CYS  40  -9.231  -8.540   0.801
  304   2HB   CYS  40          1HB       CYS  40 -10.632  -9.070  -0.118
  305    H    GLU  41           H        GLU  41 -11.856  -8.058  -1.889
  306    HA   GLU  41           HA       GLU  41 -14.126  -6.476  -1.370
  307   1HB   GLU  41          2HB       GLU  41 -13.460  -8.315  -3.263
  308   2HB   GLU  41          1HB       GLU  41 -14.615  -9.230  -2.305
  309   1HG   GLU  41          2HG       GLU  41 -16.199  -7.296  -2.565
  310   2HG   GLU  41          1HG       GLU  41 -15.062  -6.628  -3.735
  311    H    TYR  42           H        TYR  42 -15.350  -6.426   0.384
  312    HA   TYR  42           HA       TYR  42 -15.183  -7.712   2.664
  313   1HB   TYR  42          2HB       TYR  42 -17.741  -7.402   2.865
  314   2HB   TYR  42          1HB       TYR  42 -16.733  -5.982   2.625
  315    HD1  TYR  42           1HD      TYR  42 -17.350  -4.466   0.992
  316    HD2  TYR  42           2HD      TYR  42 -18.644  -8.504   0.636
  317    HE1  TYR  42           1HE      TYR  42 -18.673  -3.862  -0.990
  318    HE2  TYR  42           2HE      TYR  42 -19.969  -7.911  -1.349
  319    HH   TYR  42           HH       TYR  42 -19.609  -4.978  -2.991
  Start of MODEL   17
    1   1H    ILE   1          1HT       ILE   1   1.290  12.496   0.118
    2   2H    ILE   1          2HT       ILE   1   2.540  11.636   0.921
    3   3H    ILE   1          3HT       ILE   1   1.953  11.086  -0.595
    4    HA   ILE   1           HA       ILE   1   3.222  13.702  -0.191
    5    HB   ILE   1           HB       ILE   1   5.183  12.571  -1.377
    6   1HG1  ILE   1          2HG1      ILE   1   4.307  10.035  -0.076
    7   2HG1  ILE   1          1HG1      ILE   1   3.600  10.442  -1.637
    8   1HG2  ILE   1          1HG2      ILE   1   5.173  13.327   0.980
    9   2HG2  ILE   1          2HG2      ILE   1   6.204  11.924   0.704
   10   3HG2  ILE   1          3HG2      ILE   1   4.624  11.722   1.460
   11   1HD1  ILE   1          1HD1      ILE   1   5.683  10.378  -2.713
   12   2HD1  ILE   1          2HD1      ILE   1   5.656   8.970  -1.650
   13   3HD1  ILE   1          3HD1      ILE   1   6.564  10.409  -1.185
   14    H    MET   2           H        MET   2   2.407  14.909  -1.758
   15    HA   MET   2           HA       MET   2   1.379  15.488  -3.727
   16   1HB   MET   2          2HB       MET   2   3.024  14.782  -5.701
   17   2HB   MET   2          1HB       MET   2   3.413  16.058  -4.559
   18   1HG   MET   2          2HG       MET   2   4.279  13.230  -4.088
   19   2HG   MET   2          1HG       MET   2   5.207  14.322  -5.110
   20   1HE   MET   2          1HE       MET   2   7.672  15.206  -2.700
   21   2HE   MET   2          2HE       MET   2   6.945  16.392  -3.784
   22   3HE   MET   2          3HE       MET   2   7.146  14.721  -4.313
   23    H    PHE   3           H        PHE   3   2.847  12.754  -5.362
   24    HA   PHE   3           HA       PHE   3   0.569  12.012  -6.715
   25   1HB   PHE   3          2HB       PHE   3   3.186  10.746  -6.159
   26   2HB   PHE   3          1HB       PHE   3   1.900   9.668  -6.693
   27    HD1  PHE   3           1HD      PHE   3   2.846  13.149  -7.642
   28    HD2  PHE   3           2HD      PHE   3   2.210   9.134  -8.902
   29    HE1  PHE   3           1HE      PHE   3   3.260  13.819  -9.973
   30    HE2  PHE   3           2HE      PHE   3   2.623   9.796 -11.235
   31    HZ   PHE   3           HZ       PHE   3   3.149  12.141 -11.773
   32    H    PHE   4           H        PHE   4  -1.308  11.501  -5.764
   33    HA   PHE   4           HA       PHE   4  -1.660   9.066  -4.418
   34   1HB   PHE   4          2HB       PHE   4  -0.801  11.188  -2.721
   35   2HB   PHE   4          1HB       PHE   4  -2.485  10.845  -2.340
   36    HD1  PHE   4           1HD      PHE   4  -3.086   8.348  -1.979
   37    HD2  PHE   4           2HD      PHE   4   0.870   9.904  -1.784
   38    HE1  PHE   4           1HE      PHE   4  -2.389   6.398  -0.650
   39    HE2  PHE   4           2HE      PHE   4   1.574   7.957  -0.454
   40    HZ   PHE   4           HZ       PHE   4  -0.057   6.201   0.115
   41    H    GLU   5           H        GLU   5  -3.870   8.639  -3.908
   42    HA   GLU   5           HA       GLU   5  -5.953  10.418  -3.986
   43   1HB   GLU   5          2HB       GLU   5  -4.981  10.466  -6.452
   44   2HB   GLU   5          1HB       GLU   5  -5.951   9.011  -6.614
   45   1HG   GLU   5          2HG       GLU   5  -7.384  10.665  -7.336
   46   2HG   GLU   5          1HG       GLU   5  -7.863  10.445  -5.654
   47    H    MET   6           H        MET   6  -5.793   8.550  -2.300
   48    HA   MET   6           HA       MET   6  -7.772   6.556  -3.116
   49   1HB   MET   6          2HB       MET   6  -5.354   5.769  -1.496
   50   2HB   MET   6          1HB       MET   6  -6.560   4.715  -2.221
   51   1HG   MET   6          2HG       MET   6  -5.625   5.966  -4.418
   52   2HG   MET   6          1HG       MET   6  -4.183   5.971  -3.404
   53   1HE   MET   6          1HE       MET   6  -7.174   3.739  -4.380
   54   2HE   MET   6          2HE       MET   6  -6.399   2.294  -5.032
   55   3HE   MET   6          3HE       MET   6  -6.281   3.827  -5.899
   56    H    GLN   7           H        GLN   7  -7.756   5.106  -0.697
   57    HA   GLN   7           HA       GLN   7  -7.772   6.569   1.625
   58   1HB   GLN   7          2HB       GLN   7  -9.764   7.555   0.056
   59   2HB   GLN   7          1HB       GLN   7 -10.632   6.322   0.959
   60   1HG   GLN   7          2HG       GLN   7 -10.816   7.722   2.653
   61   2HG   GLN   7          1HG       GLN   7  -9.060   7.729   2.821
   62   1HE2  GLN   7          1HE2      GLN   7 -11.644   9.200   0.891
   63   2HE2  GLN   7          2HE2      GLN   7 -10.918  10.763   0.792
   64    H    ALA   8           H        ALA   8  -9.397   5.544   3.297
   65    HA   ALA   8           HA       ALA   8  -8.916   2.702   3.173
   66   1HB   ALA   8          1HB       ALA   8 -10.272   2.971   5.459
   67   2HB   ALA   8          2HB       ALA   8  -9.747   4.642   5.247
   68   3HB   ALA   8          3HB       ALA   8  -8.554   3.344   5.317
   69    H    CYS   9           H        CYS   9 -10.754   1.252   4.038
   70    HA   CYS   9           HA       CYS   9 -13.181   1.858   2.484
   71   1HB   CYS   9          2HB       CYS   9 -13.503  -0.554   2.280
   72   2HB   CYS   9          1HB       CYS   9 -11.913  -0.095   1.682
   73    H    TRP  10           H        TRP  10 -12.501   2.549   5.335
   74    HA   TRP  10           HA       TRP  10 -13.889   0.956   7.131
   75   1HB   TRP  10          2HB       TRP  10 -13.290   3.908   7.134
   76   2HB   TRP  10          1HB       TRP  10 -14.084   3.104   8.483
   77    HD1  TRP  10           HD       TRP  10 -12.463   0.624   9.053
   78    HE1  TRP  10           1HE      TRP  10  -9.971   0.699   9.692
   79    HE3  TRP  10           3HE      TRP  10 -11.271   5.214   7.139
   80    HZ2  TRP  10           2HZ      TRP  10  -7.788   2.468   9.419
   81    HZ3  TRP  10           3HZ      TRP  10  -8.959   6.022   7.369
   82    HH2  TRP  10           HH       TRP  10  -7.255   4.677   8.487
   83    H    SER  11           H        SER  11 -15.087   3.027   4.672
   84    HA   SER  11           HA       SER  11 -17.702   3.319   5.907
   85   1HB   SER  11          2HB       SER  11 -17.048   5.259   4.738
   86   2HB   SER  11          1HB       SER  11 -16.474   4.335   3.350
   87    HG   SER  11           HG       SER  11 -18.387   4.588   2.549
   88    H    HIS  12           H        HIS  12 -16.363   1.873   2.934
   89    HA   HIS  12           HA       HIS  12 -18.852   0.448   2.475
   90   1HB   HIS  12          2HB       HIS  12 -16.329   0.849   0.911
   91   2HB   HIS  12          1HB       HIS  12 -17.418  -0.466   0.486
   92    HD1  HIS  12           1HD      HIS  12 -19.427   2.250   1.680
   93    HD2  HIS  12           2HD      HIS  12 -17.540   1.334  -1.908
   94    HE1  HIS  12           1HE      HIS  12 -20.551   3.680  -0.056
   95    HE2  HIS  12           2HE      HIS  12 -19.452   3.046  -2.232
   96    H    SER  13           H        SER  13 -16.538  -0.111   4.595
   97    HA   SER  13           HA       SER  13 -15.627  -1.928   5.621
   98   1HB   SER  13          2HB       SER  13 -17.729  -3.714   4.488
   99   2HB   SER  13          1HB       SER  13 -17.144  -3.575   6.145
  100    HG   SER  13           HG       SER  13 -18.892  -2.449   6.432
  101    H    GLY  14           H        GLY  14 -15.469  -4.603   5.034
  102   1HA   GLY  14          2HA       GLY  14 -14.988  -5.641   2.629
  103   2HA   GLY  14          1HA       GLY  14 -13.622  -4.546   2.781
  104    H    VAL  15           H        VAL  15 -12.448  -6.633   2.533
  105    HA   VAL  15           HA       VAL  15 -12.162  -7.974   5.144
  106    HB   VAL  15           HB       VAL  15 -11.533  -9.208   2.461
  107   1HG1  VAL  15          1HG1      VAL  15 -12.072 -10.859   4.841
  108   2HG1  VAL  15          2HG1      VAL  15 -10.582  -9.917   4.882
  109   3HG1  VAL  15          3HG1      VAL  15 -10.869 -11.058   3.567
  110   1HG2  VAL  15          1HG2      VAL  15 -14.057  -9.096   4.021
  111   2HG2  VAL  15          2HG2      VAL  15 -13.636 -10.625   3.249
  112   3HG2  VAL  15          3HG2      VAL  15 -13.804  -9.163   2.277
  113    H    CYS  16           H        CYS  16 -10.522  -6.666   5.915
  114    HA   CYS  16           HA       CYS  16  -8.201  -6.030   4.369
  115   1HB   CYS  16          2HB       CYS  16  -8.993  -4.571   6.181
  116   2HB   CYS  16          1HB       CYS  16  -8.673  -5.843   7.353
  117    H    ARG  17           H        ARG  17  -7.009  -7.726   3.704
  118    HA   ARG  17           HA       ARG  17  -5.842  -9.431   5.790
  119   1HB   ARG  17          2HB       ARG  17  -7.746 -10.402   4.125
  120   2HB   ARG  17          1HB       ARG  17  -6.304 -10.723   3.172
  121   1HG   ARG  17          2HG       ARG  17  -5.837 -12.498   4.404
  122   2HG   ARG  17          1HG       ARG  17  -5.833 -11.521   5.872
  123   1HD   ARG  17          2HD       ARG  17  -8.408 -11.706   5.712
  124   2HD   ARG  17          1HD       ARG  17  -8.083 -13.057   4.628
  125    HE   ARG  17           HE       ARG  17  -6.561 -13.523   6.869
  126   1HH1  ARG  17          1HH1      ARG  17  -9.954 -13.099   6.176
  127   2HH1  ARG  17          2HH1      ARG  17 -10.475 -14.112   7.480
  128   1HH2  ARG  17          1HH2      ARG  17  -7.244 -14.855   8.585
  129   2HH2  ARG  17          2HH2      ARG  17  -8.937 -15.108   8.849
  130    H    ASP  18           H        ASP  18  -4.233 -10.981   4.094
  131    HA   ASP  18           HA       ASP  18  -2.138  -9.092   3.546
  132   1HB   ASP  18          2HB       ASP  18  -2.083 -11.637   4.392
  133   2HB   ASP  18          1HB       ASP  18  -1.876 -11.918   2.666
  134    H    LYS  19           H        LYS  19  -1.397  -8.382   1.611
  135    HA   LYS  19           HA       LYS  19  -3.089  -8.343  -0.608
  136   1HB   LYS  19          2HB       LYS  19  -0.133  -7.787  -0.371
  137   2HB   LYS  19          1HB       LYS  19  -1.050  -7.505  -1.844
  138   1HG   LYS  19          2HG       LYS  19  -2.566  -6.185  -0.026
  139   2HG   LYS  19          1HG       LYS  19  -0.950  -5.961   0.642
  140   1HD   LYS  19          2HD       LYS  19  -0.256  -5.248  -1.705
  141   2HD   LYS  19          1HD       LYS  19  -1.981  -5.158  -2.067
  142   1HE   LYS  19          2HE       LYS  19  -2.322  -3.471  -0.432
  143   2HE   LYS  19          1HE       LYS  19  -0.714  -3.711   0.247
  144   1HZ   LYS  19          1HZ       LYS  19  -0.847  -1.724  -1.145
  145   2HZ   LYS  19          2HZ       LYS  19  -1.275  -2.673  -2.478
  146   3HZ   LYS  19          3HZ       LYS  19   0.253  -2.847  -1.773
  147    H    SER  20           H        SER  20  -0.666 -10.619   0.357
  148    HA   SER  20           HA       SER  20  -0.901 -12.010  -2.222
  149   1HB   SER  20          2HB       SER  20   1.397 -11.352  -1.231
  150   2HB   SER  20          1HB       SER  20   1.127 -12.677  -0.100
  151    HG   SER  20           HG       SER  20   2.126 -12.875  -2.480
  152    H    GLU  21           H        GLU  21  -2.994 -12.115  -0.275
  153    HA   GLU  21           HA       GLU  21  -2.812 -14.540   1.199
  154   1HB   GLU  21          2HB       GLU  21  -4.286 -12.486   1.679
  155   2HB   GLU  21          1HB       GLU  21  -5.363 -13.130   0.450
  156   1HG   GLU  21          2HG       GLU  21  -5.964 -13.692   2.808
  157   2HG   GLU  21          1HG       GLU  21  -5.801 -15.074   1.729
  158    H    ARG  22           H        ARG  22  -4.520 -16.228   0.875
  159    HA   ARG  22           HA       ARG  22  -4.721 -16.902  -1.984
  160   1HB   ARG  22          2HB       ARG  22  -4.762 -18.983   0.164
  161   2HB   ARG  22          1HB       ARG  22  -4.295 -19.139  -1.524
  162   1HG   ARG  22          2HG       ARG  22  -2.260 -19.243  -0.497
  163   2HG   ARG  22          1HG       ARG  22  -2.368 -17.515  -0.831
  164   1HD   ARG  22          2HD       ARG  22  -2.612 -16.966   1.359
  165   2HD   ARG  22          1HD       ARG  22  -3.494 -18.445   1.741
  166    HE   ARG  22           HE       ARG  22  -0.713 -18.873   1.146
  167   1HH1  ARG  22          1HH1      ARG  22  -3.020 -18.090   3.644
  168   2HH1  ARG  22          2HH1      ARG  22  -2.004 -18.648   4.932
  169   1HH2  ARG  22          1HH2      ARG  22   0.624 -19.607   2.837
  170   2HH2  ARG  22          2HH2      ARG  22   0.065 -19.508   4.473
  171    H    ASN  23           H        ASN  23  -6.624 -15.581   0.071
  172    HA   ASN  23           HA       ASN  23  -8.988 -16.982  -0.863
  173   1HB   ASN  23          2HB       ASN  23  -8.032 -17.675   1.591
  174   2HB   ASN  23          1HB       ASN  23  -9.106 -16.348   2.015
  175   1HD2  ASN  23          1HD2      ASN  23  -8.862 -19.598   1.004
  176   2HD2  ASN  23          2HD2      ASN  23 -10.552 -19.952   0.954
  177    H    CYS  24           H        CYS  24  -7.743 -14.394  -1.349
  178    HA   CYS  24           HA       CYS  24  -9.485 -12.488  -0.013
  179   1HB   CYS  24          2HB       CYS  24  -6.885 -12.349  -0.865
  180   2HB   CYS  24          1HB       CYS  24  -7.735 -11.507  -2.156
  181    H    LYS  25           H        LYS  25 -10.967 -11.169  -1.063
  182    HA   LYS  25           HA       LYS  25 -12.011 -12.267  -3.565
  183   1HB   LYS  25          2HB       LYS  25 -13.140 -10.755  -1.276
  184   2HB   LYS  25          1HB       LYS  25 -13.846 -10.426  -2.853
  185   1HG   LYS  25          2HG       LYS  25 -15.169 -12.116  -1.919
  186   2HG   LYS  25          1HG       LYS  25 -14.131 -12.936  -3.088
  187   1HD   LYS  25          2HD       LYS  25 -13.636 -14.338  -1.415
  188   2HD   LYS  25          1HD       LYS  25 -12.638 -13.026  -0.782
  189   1HE   LYS  25          2HE       LYS  25 -15.533 -13.029  -0.112
  190   2HE   LYS  25          1HE       LYS  25 -14.500 -14.215   0.685
  191   1HZ   LYS  25          1HZ       LYS  25 -13.779 -11.351   0.626
  192   2HZ   LYS  25          2HZ       LYS  25 -13.240 -12.555   1.686
  193   3HZ   LYS  25          3HZ       LYS  25 -14.822 -11.967   1.808
  194    HA   PRO  26           HA       PRO  26 -11.001  -8.999  -6.335
  195   1HB   PRO  26          2HB       PRO  26 -13.506  -7.867  -6.910
  196   2HB   PRO  26          1HB       PRO  26 -12.732  -9.191  -7.782
  197   1HG   PRO  26          2HG       PRO  26 -14.816  -9.284  -5.656
  198   2HG   PRO  26          1HG       PRO  26 -14.606 -10.328  -7.073
  199   1HD   PRO  26          2HD       PRO  26 -13.944 -11.173  -4.627
  200   2HD   PRO  26          1HD       PRO  26 -12.959 -11.606  -6.040
  201    H    MET  27           H        MET  27  -9.941  -7.785  -4.671
  202    HA   MET  27           HA       MET  27 -11.183  -5.930  -2.983
  203   1HB   MET  27          2HB       MET  27  -8.972  -4.961  -2.694
  204   2HB   MET  27          1HB       MET  27  -8.866  -6.716  -2.699
  205   1HG   MET  27          2HG       MET  27  -7.108  -6.213  -4.046
  206   2HG   MET  27          1HG       MET  27  -8.382  -6.350  -5.255
  207   1HE   MET  27          1HE       MET  27  -5.841  -4.016  -3.458
  208   2HE   MET  27          2HE       MET  27  -7.349  -3.587  -2.650
  209   3HE   MET  27          3HE       MET  27  -6.549  -2.419  -3.703
  210    H    ALA  28           H        ALA  28 -10.834  -3.539  -3.094
  211    HA   ALA  28           HA       ALA  28 -11.228  -2.543  -5.837
  212   1HB   ALA  28          1HB       ALA  28 -12.981  -1.176  -5.190
  213   2HB   ALA  28          2HB       ALA  28 -12.525  -1.222  -3.487
  214   3HB   ALA  28          3HB       ALA  28 -13.270  -2.633  -4.239
  215    H    TRP  29           H        TRP  29 -11.029   0.008  -5.757
  216    HA   TRP  29           HA       TRP  29  -8.404   0.677  -5.433
  217   1HB   TRP  29          2HB       TRP  29  -9.084   3.014  -5.561
  218   2HB   TRP  29          1HB       TRP  29 -10.041   2.041  -6.674
  219    HD1  TRP  29           HD       TRP  29 -12.641   1.914  -6.263
  220    HE1  TRP  29           1HE      TRP  29 -14.241   3.185  -4.697
  221    HE3  TRP  29           3HE      TRP  29  -9.196   4.084  -3.169
  222    HZ2  TRP  29           2HZ      TRP  29 -14.065   4.883  -2.448
  223    HZ3  TRP  29           3HZ      TRP  29  -9.996   5.518  -1.335
  224    HH2  TRP  29           HH       TRP  29 -12.381   5.908  -0.984
  225    H    THR  30           H        THR  30 -10.890   0.590  -3.002
  226    HA   THR  30           HA       THR  30  -9.580   2.164  -1.045
  227    HB   THR  30           HB       THR  30 -11.204   1.311   0.499
  228    HG1  THR  30           1HG      THR  30 -12.546  -0.474  -0.151
  229   1HG2  THR  30          1HG2      THR  30 -12.006   2.714  -1.523
  230   2HG2  THR  30          2HG2      THR  30 -13.190   1.925  -0.480
  231   3HG2  THR  30          3HG2      THR  30 -12.768   1.208  -2.035
  232    H    TYR  31           H        TYR  31  -8.410   1.526   0.791
  233    HA   TYR  31           HA       TYR  31  -7.387  -1.222   0.808
  234   1HB   TYR  31          2HB       TYR  31  -5.107  -0.432   1.141
  235   2HB   TYR  31          1HB       TYR  31  -5.746   0.185  -0.377
  236    HD1  TYR  31           1HD      TYR  31  -6.486   2.579  -0.507
  237    HD2  TYR  31           2HD      TYR  31  -4.387   1.033   2.856
  238    HE1  TYR  31           1HE      TYR  31  -5.918   4.869   0.185
  239    HE2  TYR  31           2HE      TYR  31  -3.814   3.319   3.557
  240    HH   TYR  31           HH       TYR  31  -5.256   5.902   2.768
  241    H    CYS  32           H        CYS  32  -5.787  -1.299   2.871
  242    HA   CYS  32           HA       CYS  32  -7.527  -0.664   5.114
  243   1HB   CYS  32          2HB       CYS  32  -6.036  -2.869   4.547
  244   2HB   CYS  32          1HB       CYS  32  -4.953  -2.011   5.637
  245    H    GLU  33           H        GLU  33  -3.980  -0.556   4.781
  246    HA   GLU  33           HA       GLU  33  -3.648   2.180   5.185
  247   1HB   GLU  33          2HB       GLU  33  -4.630   1.151   7.484
  248   2HB   GLU  33          1HB       GLU  33  -2.910   0.921   7.760
  249   1HG   GLU  33          2HG       GLU  33  -2.494   3.267   7.472
  250   2HG   GLU  33          1HG       GLU  33  -4.174   3.547   7.014
  251    H    ASN  34           H        ASN  34  -2.344  -0.991   6.084
  252    HA   ASN  34           HA       ASN  34   0.376  -0.064   5.631
  253   1HB   ASN  34          2HB       ASN  34  -0.317  -1.632   7.528
  254   2HB   ASN  34          1HB       ASN  34  -0.471  -2.881   6.296
  255   1HD2  ASN  34          1HD2      ASN  34   1.209  -3.605   8.053
  256   2HD2  ASN  34          2HD2      ASN  34   2.857  -3.352   7.602
  257    H    ARG  35           H        ARG  35   1.726  -0.792   4.002
  258    HA   ARG  35           HA       ARG  35   0.517  -1.424   1.543
  259   1HB   ARG  35          2HB       ARG  35   3.390  -1.422   2.443
  260   2HB   ARG  35          1HB       ARG  35   2.893  -1.678   0.783
  261   1HG   ARG  35          2HG       ARG  35   2.137   0.771   2.339
  262   2HG   ARG  35          1HG       ARG  35   3.616   0.658   1.385
  263   1HD   ARG  35          2HD       ARG  35   2.270   1.539  -0.213
  264   2HD   ARG  35          1HD       ARG  35   1.869  -0.160  -0.458
  265    HE   ARG  35           HE       ARG  35   0.067   0.647   1.394
  266   1HH1  ARG  35          1HH1      ARG  35   0.992   1.874  -1.739
  267   2HH1  ARG  35          2HH1      ARG  35  -0.573   2.526  -2.085
  268   1HH2  ARG  35          1HH2      ARG  35  -1.993   1.504   0.941
  269   2HH2  ARG  35          2HH2      ARG  35  -2.270   2.316  -0.564
  270    H    ASN  36           H        ASN  36   1.318  -3.382   4.124
  271    HA   ASN  36           HA       ASN  36   1.882  -5.750   2.536
  272   1HB   ASN  36          2HB       ASN  36   3.040  -5.231   4.734
  273   2HB   ASN  36          1HB       ASN  36   1.514  -5.608   5.529
  274   1HD2  ASN  36          1HD2      ASN  36   2.504  -7.319   6.631
  275   2HD2  ASN  36          2HD2      ASN  36   2.862  -8.815   5.843
  276    H    GLN  37           H        GLN  37  -0.798  -4.202   4.056
  277    HA   GLN  37           HA       GLN  37  -2.459  -6.571   3.492
  278   1HB   GLN  37          2HB       GLN  37  -3.097  -4.535   5.619
  279   2HB   GLN  37          1HB       GLN  37  -3.824  -6.118   5.380
  280   1HG   GLN  37          2HG       GLN  37  -0.994  -5.596   6.261
  281   2HG   GLN  37          1HG       GLN  37  -2.329  -6.090   7.301
  282   1HE2  GLN  37          1HE2      GLN  37   0.343  -7.228   6.007
  283   2HE2  GLN  37          2HE2      GLN  37  -0.097  -8.870   5.701
  284    H    LYS  38           H        LYS  38  -4.414  -6.243   2.474
  285    HA   LYS  38           HA       LYS  38  -5.057  -3.477   1.701
  286   1HB   LYS  38          2HB       LYS  38  -5.553  -4.180  -0.560
  287   2HB   LYS  38          1HB       LYS  38  -3.905  -4.641  -0.159
  288   1HG   LYS  38          2HG       LYS  38  -4.376  -6.877  -0.178
  289   2HG   LYS  38          1HG       LYS  38  -6.068  -6.636   0.258
  290   1HD   LYS  38          2HD       LYS  38  -6.172  -7.299  -1.972
  291   2HD   LYS  38          1HD       LYS  38  -6.283  -5.540  -2.065
  292   1HE   LYS  38          2HE       LYS  38  -3.971  -5.365  -2.665
  293   2HE   LYS  38          1HE       LYS  38  -3.713  -7.084  -2.370
  294   1HZ   LYS  38          1HZ       LYS  38  -3.917  -6.905  -4.667
  295   2HZ   LYS  38          2HZ       LYS  38  -5.198  -5.804  -4.580
  296   3HZ   LYS  38          3HZ       LYS  38  -5.450  -7.428  -4.178
  297    H    CYS  39           H        CYS  39  -7.297  -3.191   0.969
  298    HA   CYS  39           HA       CYS  39  -9.097  -4.816   2.590
  299   1HB   CYS  39          2HB       CYS  39  -9.181  -2.343   2.775
  300   2HB   CYS  39          1HB       CYS  39  -9.652  -2.254   1.081
  301    H    CYS  40           H        CYS  40  -9.779  -6.602   1.578
  302    HA   CYS  40           HA       CYS  40 -10.247  -6.624  -1.273
  303   1HB   CYS  40          2HB       CYS  40  -9.900  -8.584   0.884
  304   2HB   CYS  40          1HB       CYS  40 -11.087  -9.048  -0.323
  305    H    GLU  41           H        GLU  41 -12.325  -7.918  -1.931
  306    HA   GLU  41           HA       GLU  41 -14.540  -6.286  -1.329
  307   1HB   GLU  41          2HB       GLU  41 -13.959  -8.032  -3.318
  308   2HB   GLU  41          1HB       GLU  41 -15.096  -8.991  -2.382
  309   1HG   GLU  41          2HG       GLU  41 -16.172  -7.729  -4.190
  310   2HG   GLU  41          1HG       GLU  41 -16.783  -7.291  -2.595
  311    H    TYR  42           H        TYR  42 -15.665  -6.250   0.488
  312    HA   TYR  42           HA       TYR  42 -15.536  -7.676   2.683
  313   1HB   TYR  42          2HB       TYR  42 -17.863  -7.070   3.192
  314   2HB   TYR  42          1HB       TYR  42 -16.979  -5.734   2.466
  315    HD1  TYR  42           1HD      TYR  42 -17.369  -5.189   0.045
  316    HD2  TYR  42           2HD      TYR  42 -19.815  -7.942   2.177
  317    HE1  TYR  42           1HE      TYR  42 -19.110  -4.967  -1.678
  318    HE2  TYR  42           2HE      TYR  42 -21.562  -7.728   0.459
  319    HH   TYR  42           HH       TYR  42 -21.678  -5.292  -1.755
  Start of MODEL   18
    1   1H    ILE   1          1HT       ILE   1   2.909  10.551  -2.061
    2   2H    ILE   1          2HT       ILE   1   2.348   9.217  -2.984
    3   3H    ILE   1          3HT       ILE   1   1.488  10.703  -3.008
    4    HA   ILE   1           HA       ILE   1   4.283  10.638  -3.808
    5    HB   ILE   1           HB       ILE   1   3.241   8.798  -5.050
    6   1HG1  ILE   1          2HG1      ILE   1   3.315  10.747  -7.226
    7   2HG1  ILE   1          1HG1      ILE   1   4.658  10.934  -6.104
    8   1HG2  ILE   1          1HG2      ILE   1   0.926  10.049  -4.870
    9   2HG2  ILE   1          2HG2      ILE   1   1.263   8.920  -6.182
   10   3HG2  ILE   1          3HG2      ILE   1   1.399  10.656  -6.456
   11   1HD1  ILE   1          1HD1      ILE   1   5.121   9.449  -8.039
   12   2HD1  ILE   1          2HD1      ILE   1   3.911   8.331  -7.408
   13   3HD1  ILE   1          3HD1      ILE   1   5.361   8.686  -6.467
   14    H    MET   2           H        MET   2   3.599  12.770  -2.660
   15    HA   MET   2           HA       MET   2   3.334  15.017  -2.854
   16   1HB   MET   2          2HB       MET   2   4.071  14.126  -5.512
   17   2HB   MET   2          1HB       MET   2   3.033  15.544  -5.581
   18   1HG   MET   2          2HG       MET   2   5.077  16.535  -5.466
   19   2HG   MET   2          1HG       MET   2   4.673  16.450  -3.753
   20   1HE   MET   2          1HE       MET   2   6.942  16.302  -6.193
   21   2HE   MET   2          2HE       MET   2   7.827  14.777  -6.232
   22   3HE   MET   2          3HE       MET   2   8.335  16.065  -5.140
   23    H    PHE   3           H        PHE   3   0.997  12.983  -3.118
   24    HA   PHE   3           HA       PHE   3  -1.101  14.711  -2.826
   25   1HB   PHE   3          2HB       PHE   3  -2.308  14.361  -5.040
   26   2HB   PHE   3          1HB       PHE   3  -0.962  15.494  -5.059
   27    HD1  PHE   3           1HD      PHE   3   0.940  15.115  -6.408
   28    HD2  PHE   3           2HD      PHE   3  -2.016  12.083  -5.983
   29    HE1  PHE   3           1HE      PHE   3   1.970  13.857  -8.255
   30    HE2  PHE   3           2HE      PHE   3  -0.991  10.819  -7.828
   31    HZ   PHE   3           HZ       PHE   3   1.004  11.706  -8.967
   32    H    PHE   4           H        PHE   4  -3.194  13.649  -2.755
   33    HA   PHE   4           HA       PHE   4  -2.997  10.711  -2.742
   34   1HB   PHE   4          2HB       PHE   4  -4.004  12.568  -0.619
   35   2HB   PHE   4          1HB       PHE   4  -4.723  10.968  -0.774
   36    HD1  PHE   4           1HD      PHE   4  -1.510  12.739  -0.262
   37    HD2  PHE   4           2HD      PHE   4  -3.658   9.083   0.107
   38    HE1  PHE   4           1HE      PHE   4   0.343  11.787   1.047
   39    HE2  PHE   4           2HE      PHE   4  -1.810   8.125   1.417
   40    HZ   PHE   4           HZ       PHE   4   0.194   9.478   1.889
   41    H    GLU   5           H        GLU   5  -5.487   9.943  -2.244
   42    HA   GLU   5           HA       GLU   5  -7.588  11.332  -3.340
   43   1HB   GLU   5          2HB       GLU   5  -6.086  11.006  -5.415
   44   2HB   GLU   5          1HB       GLU   5  -6.588   9.324  -5.339
   45   1HG   GLU   5          2HG       GLU   5  -8.404   9.835  -6.481
   46   2HG   GLU   5          1HG       GLU   5  -8.931  10.868  -5.154
   47    H    MET   6           H        MET   6  -6.082   8.179  -2.968
   48    HA   MET   6           HA       MET   6  -8.387   6.595  -2.987
   49   1HB   MET   6          2HB       MET   6  -5.968   6.059  -1.267
   50   2HB   MET   6          1HB       MET   6  -7.063   4.887  -1.985
   51   1HG   MET   6          2HG       MET   6  -6.259   5.735  -4.235
   52   2HG   MET   6          1HG       MET   6  -4.984   6.566  -3.346
   53   1HE   MET   6          1HE       MET   6  -5.875   3.210  -5.128
   54   2HE   MET   6          2HE       MET   6  -4.141   2.909  -5.246
   55   3HE   MET   6          3HE       MET   6  -4.794   4.487  -5.685
   56    H    GLN   7           H        GLN   7  -8.347   5.226  -0.523
   57    HA   GLN   7           HA       GLN   7  -8.539   6.717   1.761
   58   1HB   GLN   7          2HB       GLN   7 -10.598   7.451   0.021
   59   2HB   GLN   7          1HB       GLN   7 -11.363   6.386   1.192
   60   1HG   GLN   7          2HG       GLN   7 -11.070   7.833   2.912
   61   2HG   GLN   7          1HG       GLN   7  -9.577   8.495   2.248
   62   1HE2  GLN   7          1HE2      GLN   7  -9.892   9.772   0.190
   63   2HE2  GLN   7          2HE2      GLN   7 -11.246  10.845   0.145
   64    H    ALA   8           H        ALA   8  -9.379   5.548   3.546
   65    HA   ALA   8           HA       ALA   8  -9.112   2.753   3.327
   66   1HB   ALA   8          1HB       ALA   8  -9.163   2.743   5.583
   67   2HB   ALA   8          2HB       ALA   8 -10.581   3.789   5.664
   68   3HB   ALA   8          3HB       ALA   8  -8.985   4.486   5.381
   69    H    CYS   9           H        CYS   9 -10.785   1.182   4.110
   70    HA   CYS   9           HA       CYS   9 -13.332   1.764   2.773
   71   1HB   CYS   9          2HB       CYS   9 -13.620  -0.734   2.816
   72   2HB   CYS   9          1HB       CYS   9 -12.252  -0.169   1.864
   73    H    TRP  10           H        TRP  10 -12.635   2.634   5.506
   74    HA   TRP  10           HA       TRP  10 -13.783   1.084   7.489
   75   1HB   TRP  10          2HB       TRP  10 -13.482   4.063   7.190
   76   2HB   TRP  10          1HB       TRP  10 -14.206   3.345   8.626
   77    HD1  TRP  10           HD       TRP  10 -12.146   0.838   8.802
   78    HE1  TRP  10           1HE      TRP  10  -9.760   1.287   9.654
   79    HE3  TRP  10           3HE      TRP  10 -11.904   5.870   7.928
   80    HZ2  TRP  10           2HZ      TRP  10  -8.007   3.483   9.921
   81    HZ3  TRP  10           3HZ      TRP  10  -9.837   7.070   8.511
   82    HH2  TRP  10           HH       TRP  10  -7.929   5.899   9.487
   83    H    SER  11           H        SER  11 -15.282   3.056   5.045
   84    HA   SER  11           HA       SER  11 -17.893   2.909   6.320
   85   1HB   SER  11          2HB       SER  11 -17.345   4.998   5.230
   86   2HB   SER  11          1HB       SER  11 -16.986   4.162   3.719
   87    HG   SER  11           HG       SER  11 -19.523   4.192   4.993
   88    H    HIS  12           H        HIS  12 -16.701   2.138   3.043
   89    HA   HIS  12           HA       HIS  12 -18.850   0.531   2.300
   90   1HB   HIS  12          2HB       HIS  12 -17.029   1.468   0.806
   91   2HB   HIS  12          1HB       HIS  12 -16.012   0.137   1.348
   92    HD1  HIS  12           1HD      HIS  12 -16.942  -2.318   0.750
   93    HD2  HIS  12           2HD      HIS  12 -18.706   0.862  -1.260
   94    HE1  HIS  12           1HE      HIS  12 -18.117  -3.340  -1.225
   95    HE2  HIS  12           2HE      HIS  12 -19.252  -1.407  -2.376
   96    H    SER  13           H        SER  13 -16.057  -0.195   4.241
   97    HA   SER  13           HA       SER  13 -15.461  -2.016   5.462
   98   1HB   SER  13          2HB       SER  13 -17.150  -3.283   6.441
   99   2HB   SER  13          1HB       SER  13 -18.025  -1.828   5.966
  100    HG   SER  13           HG       SER  13 -17.971  -4.337   4.656
  101    H    GLY  14           H        GLY  14 -14.087  -3.506   4.771
  102   1HA   GLY  14          2HA       GLY  14 -14.936  -5.311   2.602
  103   2HA   GLY  14          1HA       GLY  14 -13.396  -4.473   2.496
  104    H    VAL  15           H        VAL  15 -11.887  -6.003   2.725
  105    HA   VAL  15           HA       VAL  15 -11.860  -7.520   5.223
  106    HB   VAL  15           HB       VAL  15 -11.378  -8.883   2.573
  107   1HG1  VAL  15          1HG1      VAL  15 -11.975 -10.421   5.012
  108   2HG1  VAL  15          2HG1      VAL  15 -10.426  -9.577   5.001
  109   3HG1  VAL  15          3HG1      VAL  15 -10.809 -10.733   3.726
  110   1HG2  VAL  15          1HG2      VAL  15 -13.846  -8.600   4.219
  111   2HG2  VAL  15          2HG2      VAL  15 -13.547 -10.126   3.386
  112   3HG2  VAL  15          3HG2      VAL  15 -13.656  -8.625   2.466
  113    H    CYS  16           H        CYS  16 -10.151  -6.099   5.793
  114    HA   CYS  16           HA       CYS  16  -7.806  -5.815   4.208
  115   1HB   CYS  16          2HB       CYS  16  -8.406  -4.128   5.858
  116   2HB   CYS  16          1HB       CYS  16  -8.271  -5.310   7.155
  117    H    ARG  17           H        ARG  17  -6.897  -7.751   3.661
  118    HA   ARG  17           HA       ARG  17  -5.825  -9.349   5.888
  119   1HB   ARG  17          2HB       ARG  17  -7.679 -10.187   3.946
  120   2HB   ARG  17          1HB       ARG  17  -6.148 -10.917   3.488
  121   1HG   ARG  17          2HG       ARG  17  -6.900 -12.532   4.883
  122   2HG   ARG  17          1HG       ARG  17  -6.095 -11.509   6.075
  123   1HD   ARG  17          2HD       ARG  17  -8.080 -10.688   6.908
  124   2HD   ARG  17          1HD       ARG  17  -8.955 -10.993   5.408
  125    HE   ARG  17           HE       ARG  17  -9.407 -13.125   6.132
  126   1HH1  ARG  17          1HH1      ARG  17  -6.976 -11.702   8.194
  127   2HH1  ARG  17          2HH1      ARG  17  -7.045 -12.976   9.364
  128   1HH2  ARG  17          1HH2      ARG  17  -9.495 -14.802   7.669
  129   2HH2  ARG  17          2HH2      ARG  17  -8.473 -14.736   9.067
  130    H    ASP  18           H        ASP  18  -4.309 -11.115   4.299
  131    HA   ASP  18           HA       ASP  18  -2.046  -9.436   3.743
  132   1HB   ASP  18          2HB       ASP  18  -2.521 -12.408   3.612
  133   2HB   ASP  18          1HB       ASP  18  -1.012 -11.686   3.061
  134    H    LYS  19           H        LYS  19  -1.298  -8.747   1.824
  135    HA   LYS  19           HA       LYS  19  -2.867  -8.600  -0.435
  136   1HB   LYS  19          2HB       LYS  19   0.130  -8.473  -0.131
  137   2HB   LYS  19          1HB       LYS  19  -0.680  -8.156  -1.658
  138   1HG   LYS  19          2HG       LYS  19  -2.057  -6.533   0.031
  139   2HG   LYS  19          1HG       LYS  19  -0.438  -6.486   0.730
  140   1HD   LYS  19          2HD       LYS  19   0.271  -5.133  -0.888
  141   2HD   LYS  19          1HD       LYS  19  -0.263  -6.271  -2.125
  142   1HE   LYS  19          2HE       LYS  19  -2.559  -5.337  -1.902
  143   2HE   LYS  19          1HE       LYS  19  -1.913  -4.126  -0.796
  144   1HZ   LYS  19          1HZ       LYS  19  -0.277  -3.778  -2.834
  145   2HZ   LYS  19          2HZ       LYS  19  -1.758  -2.967  -2.715
  146   3HZ   LYS  19          3HZ       LYS  19  -1.625  -4.343  -3.688
  147    H    SER  20           H        SER  20  -0.749 -11.159   0.590
  148    HA   SER  20           HA       SER  20  -1.177 -12.580  -1.943
  149   1HB   SER  20          2HB       SER  20   1.174 -12.286  -1.072
  150   2HB   SER  20          1HB       SER  20   0.733 -13.333   0.276
  151    HG   SER  20           HG       SER  20   0.086 -14.867  -1.456
  152    H    GLU  21           H        GLU  21  -3.259 -12.315   0.063
  153    HA   GLU  21           HA       GLU  21  -3.478 -14.674   1.589
  154   1HB   GLU  21          2HB       GLU  21  -4.737 -12.498   1.953
  155   2HB   GLU  21          1HB       GLU  21  -5.773 -12.976   0.616
  156   1HG   GLU  21          2HG       GLU  21  -6.985 -13.710   2.412
  157   2HG   GLU  21          1HG       GLU  21  -6.075 -15.162   1.997
  158    H    ARG  22           H        ARG  22  -4.460 -16.543   1.180
  159    HA   ARG  22           HA       ARG  22  -4.889 -17.219  -1.615
  160   1HB   ARG  22          2HB       ARG  22  -5.086 -19.203   0.613
  161   2HB   ARG  22          1HB       ARG  22  -4.539 -19.442  -1.040
  162   1HG   ARG  22          2HG       ARG  22  -2.541 -19.532   0.029
  163   2HG   ARG  22          1HG       ARG  22  -2.623 -17.795  -0.266
  164   1HD   ARG  22          2HD       ARG  22  -2.713 -17.332   1.918
  165   2HD   ARG  22          1HD       ARG  22  -3.952 -18.555   2.202
  166    HE   ARG  22           HE       ARG  22  -1.676 -20.002   1.898
  167   1HH1  ARG  22          1HH1      ARG  22  -2.579 -17.324   3.946
  168   2HH1  ARG  22          2HH1      ARG  22  -1.529 -17.795   5.238
  169   1HH2  ARG  22          1HH2      ARG  22  -0.291 -20.623   3.598
  170   2HH2  ARG  22          2HH2      ARG  22  -0.229 -19.668   5.042
  171    H    ASN  23           H        ASN  23  -6.849 -15.782   0.329
  172    HA   ASN  23           HA       ASN  23  -9.200 -17.139  -0.692
  173   1HB   ASN  23          2HB       ASN  23  -8.380 -17.820   1.812
  174   2HB   ASN  23          1HB       ASN  23  -9.436 -16.458   2.169
  175   1HD2  ASN  23          1HD2      ASN  23  -9.238 -19.730   1.256
  176   2HD2  ASN  23          2HD2      ASN  23 -10.933 -20.037   1.113
  177    H    CYS  24           H        CYS  24  -7.935 -14.612  -1.239
  178    HA   CYS  24           HA       CYS  24  -9.662 -12.633   0.019
  179   1HB   CYS  24          2HB       CYS  24  -7.028 -12.597  -0.799
  180   2HB   CYS  24          1HB       CYS  24  -7.845 -11.704  -2.071
  181    H    LYS  25           H        LYS  25 -10.701 -10.985  -1.367
  182    HA   LYS  25           HA       LYS  25 -11.737 -12.183  -3.850
  183   1HB   LYS  25          2HB       LYS  25 -13.054 -10.652  -1.651
  184   2HB   LYS  25          1HB       LYS  25 -13.695 -10.498  -3.281
  185   1HG   LYS  25          2HG       LYS  25 -13.306 -13.125  -1.864
  186   2HG   LYS  25          1HG       LYS  25 -14.821 -12.219  -1.880
  187   1HD   LYS  25          2HD       LYS  25 -15.098 -12.518  -4.195
  188   2HD   LYS  25          1HD       LYS  25 -13.419 -13.010  -4.417
  189   1HE   LYS  25          2HE       LYS  25 -15.545 -14.569  -2.951
  190   2HE   LYS  25          1HE       LYS  25 -14.933 -14.921  -4.567
  191   1HZ   LYS  25          1HZ       LYS  25 -13.575 -15.223  -1.969
  192   2HZ   LYS  25          2HZ       LYS  25 -12.668 -15.039  -3.385
  193   3HZ   LYS  25          3HZ       LYS  25 -13.732 -16.344  -3.227
  194    HA   PRO  26           HA       PRO  26 -10.498  -8.819  -6.391
  195   1HB   PRO  26          2HB       PRO  26 -12.963  -7.768  -7.235
  196   2HB   PRO  26          1HB       PRO  26 -12.034  -9.035  -8.040
  197   1HG   PRO  26          2HG       PRO  26 -14.352  -9.270  -6.185
  198   2HG   PRO  26          1HG       PRO  26 -13.923 -10.269  -7.586
  199   1HD   PRO  26          2HD       PRO  26 -13.529 -11.140  -5.090
  200   2HD   PRO  26          1HD       PRO  26 -12.368 -11.506  -6.382
  201    H    MET  27           H        MET  27  -9.659  -7.569  -4.670
  202    HA   MET  27           HA       MET  27 -11.094  -5.854  -3.013
  203   1HB   MET  27          2HB       MET  27  -9.005  -4.756  -2.564
  204   2HB   MET  27          1HB       MET  27  -8.690  -6.475  -2.750
  205   1HG   MET  27          2HG       MET  27  -6.984  -5.640  -3.987
  206   2HG   MET  27          1HG       MET  27  -8.215  -5.773  -5.242
  207   1HE   MET  27          1HE       MET  27  -5.781  -2.272  -4.302
  208   2HE   MET  27          2HE       MET  27  -5.569  -3.985  -3.939
  209   3HE   MET  27          3HE       MET  27  -6.418  -2.941  -2.799
  210    H    ALA  28           H        ALA  28 -11.005  -3.446  -3.053
  211    HA   ALA  28           HA       ALA  28 -11.469  -2.444  -5.783
  212   1HB   ALA  28          1HB       ALA  28 -13.567  -2.198  -4.971
  213   2HB   ALA  28          2HB       ALA  28 -12.889  -0.707  -4.315
  214   3HB   ALA  28          3HB       ALA  28 -13.028  -2.139  -3.292
  215    H    TRP  29           H        TRP  29 -11.441   0.119  -5.672
  216    HA   TRP  29           HA       TRP  29  -8.853   0.955  -5.469
  217   1HB   TRP  29          2HB       TRP  29  -9.694   3.244  -5.522
  218   2HB   TRP  29          1HB       TRP  29 -10.633   2.223  -6.606
  219    HD1  TRP  29           HD       TRP  29 -13.196   2.185  -6.251
  220    HE1  TRP  29           1HE      TRP  29 -14.803   3.208  -4.520
  221    HE3  TRP  29           3HE      TRP  29  -9.765   3.886  -2.865
  222    HZ2  TRP  29           2HZ      TRP  29 -14.638   4.558  -2.046
  223    HZ3  TRP  29           3HZ      TRP  29 -10.572   5.034  -0.843
  224    HH2  TRP  29           HH       TRP  29 -12.958   5.362  -0.444
  225    H    THR  30           H        THR  30 -11.215   0.709  -2.922
  226    HA   THR  30           HA       THR  30 -10.064   2.366  -0.994
  227    HB   THR  30           HB       THR  30 -11.349   1.144   0.629
  228    HG1  THR  30           1HG      THR  30 -12.329  -0.863   0.010
  229   1HG2  THR  30          1HG2      THR  30 -13.453   0.593  -1.039
  230   2HG2  THR  30          2HG2      THR  30 -12.547   1.818  -1.926
  231   3HG2  THR  30          3HG2      THR  30 -13.102   2.148  -0.286
  232    H    TYR  31           H        TYR  31  -8.692   1.938   0.774
  233    HA   TYR  31           HA       TYR  31  -6.998  -0.455   0.490
  234   1HB   TYR  31          2HB       TYR  31  -5.031   0.868   1.031
  235   2HB   TYR  31          1HB       TYR  31  -5.835   1.549  -0.380
  236    HD1  TYR  31           1HD      TYR  31  -5.586   1.954   3.317
  237    HD2  TYR  31           2HD      TYR  31  -6.351   3.820  -0.429
  238    HE1  TYR  31           1HE      TYR  31  -5.658   4.145   4.431
  239    HE2  TYR  31           2HE      TYR  31  -6.425   6.017   0.674
  240    HH   TYR  31           HH       TYR  31  -5.539   7.064   2.756
  241    H    CYS  32           H        CYS  32  -5.520  -0.594   2.565
  242    HA   CYS  32           HA       CYS  32  -7.353  -0.452   4.854
  243   1HB   CYS  32          2HB       CYS  32  -6.413  -2.680   4.162
  244   2HB   CYS  32          1HB       CYS  32  -4.820  -2.082   4.608
  245    H    GLU  33           H        GLU  33  -3.809  -0.365   4.437
  246    HA   GLU  33           HA       GLU  33  -3.426   2.220   5.428
  247   1HB   GLU  33          2HB       GLU  33  -4.300   1.321   7.533
  248   2HB   GLU  33          1HB       GLU  33  -3.083   0.052   7.508
  249   1HG   GLU  33          2HG       GLU  33  -2.271   1.639   9.012
  250   2HG   GLU  33          1HG       GLU  33  -1.360   1.917   7.529
  251    H    ASN  34           H        ASN  34  -1.874  -0.925   6.082
  252    HA   ASN  34           HA       ASN  34   0.669   0.147   5.162
  253   1HB   ASN  34          2HB       ASN  34   0.292  -1.356   7.248
  254   2HB   ASN  34          1HB       ASN  34   0.237  -2.680   6.087
  255   1HD2  ASN  34          1HD2      ASN  34   2.088  -3.685   5.901
  256   2HD2  ASN  34          2HD2      ASN  34   3.659  -2.975   6.020
  257    H    ARG  35           H        ARG  35   1.906  -0.785   3.487
  258    HA   ARG  35           HA       ARG  35   0.429  -1.575   1.228
  259   1HB   ARG  35          2HB       ARG  35   3.375  -1.517   1.824
  260   2HB   ARG  35          1HB       ARG  35   2.721  -1.934   0.253
  261   1HG   ARG  35          2HG       ARG  35   2.114   0.655   1.640
  262   2HG   ARG  35          1HG       ARG  35   3.468   0.445   0.531
  263   1HD   ARG  35          2HD       ARG  35   1.924   1.175  -0.967
  264   2HD   ARG  35          1HD       ARG  35   1.527  -0.542  -1.005
  265    HE   ARG  35           HE       ARG  35  -0.459  -0.091   0.069
  266   1HH1  ARG  35          1HH1      ARG  35   1.566   2.754   0.120
  267   2HH1  ARG  35          2HH1      ARG  35   0.300   3.796   0.676
  268   1HH2  ARG  35          1HH2      ARG  35  -2.122   1.280   0.801
  269   2HH2  ARG  35          2HH2      ARG  35  -1.792   2.960   1.063
  270    H    ASN  36           H        ASN  36   1.414  -3.367   3.847
  271    HA   ASN  36           HA       ASN  36   1.850  -5.840   2.389
  272   1HB   ASN  36          2HB       ASN  36   3.118  -5.148   4.508
  273   2HB   ASN  36          1HB       ASN  36   1.645  -5.555   5.383
  274   1HD2  ASN  36          1HD2      ASN  36   3.401  -7.004   6.333
  275   2HD2  ASN  36          2HD2      ASN  36   3.531  -8.582   5.643
  276    H    GLN  37           H        GLN  37  -0.691  -4.154   4.001
  277    HA   GLN  37           HA       GLN  37  -2.428  -6.521   3.723
  278   1HB   GLN  37          2HB       GLN  37  -2.862  -4.251   5.666
  279   2HB   GLN  37          1HB       GLN  37  -3.722  -5.783   5.599
  280   1HG   GLN  37          2HG       GLN  37  -0.860  -5.338   6.404
  281   2HG   GLN  37          1HG       GLN  37  -2.200  -5.826   7.440
  282   1HE2  GLN  37          1HE2      GLN  37   0.480  -6.971   6.173
  283   2HE2  GLN  37          2HE2      GLN  37   0.042  -8.615   5.874
  284    H    LYS  38           H        LYS  38  -4.153  -6.315   2.423
  285    HA   LYS  38           HA       LYS  38  -4.891  -3.597   1.550
  286   1HB   LYS  38          2HB       LYS  38  -5.380  -4.480  -0.660
  287   2HB   LYS  38          1HB       LYS  38  -3.717  -4.844  -0.220
  288   1HG   LYS  38          2HG       LYS  38  -4.060  -7.002  -0.556
  289   2HG   LYS  38          1HG       LYS  38  -5.390  -7.005   0.604
  290   1HD   LYS  38          2HD       LYS  38  -6.674  -7.522  -1.160
  291   2HD   LYS  38          1HD       LYS  38  -6.535  -5.813  -1.574
  292   1HE   LYS  38          2HE       LYS  38  -4.921  -6.204  -3.190
  293   2HE   LYS  38          1HE       LYS  38  -4.451  -7.752  -2.488
  294   1HZ   LYS  38          1HZ       LYS  38  -7.185  -7.558  -3.462
  295   2HZ   LYS  38          2HZ       LYS  38  -6.086  -8.839  -3.568
  296   3HZ   LYS  38          3HZ       LYS  38  -5.974  -7.540  -4.644
  297    H    CYS  39           H        CYS  39  -7.055  -3.139   1.240
  298    HA   CYS  39           HA       CYS  39  -8.885  -4.806   2.737
  299   1HB   CYS  39          2HB       CYS  39  -8.956  -2.370   3.012
  300   2HB   CYS  39          1HB       CYS  39  -9.325  -2.177   1.303
  301    H    CYS  40           H        CYS  40  -9.354  -6.627   1.584
  302    HA   CYS  40           HA       CYS  40  -9.874  -6.634  -1.207
  303   1HB   CYS  40          2HB       CYS  40  -9.740  -8.558   0.982
  304   2HB   CYS  40          1HB       CYS  40 -10.993  -8.945  -0.184
  305    H    GLU  41           H        GLU  41 -11.994  -7.629  -2.040
  306    HA   GLU  41           HA       GLU  41 -14.165  -5.983  -0.985
  307   1HB   GLU  41          2HB       GLU  41 -13.684  -5.886  -3.391
  308   2HB   GLU  41          1HB       GLU  41 -14.002  -7.611  -3.526
  309   1HG   GLU  41          2HG       GLU  41 -16.206  -7.311  -3.615
  310   2HG   GLU  41          1HG       GLU  41 -16.192  -6.134  -2.304
  311    H    TYR  42           H        TYR  42 -15.539  -6.817   0.419
  312    HA   TYR  42           HA       TYR  42 -15.767  -9.136   1.562
  313   1HB   TYR  42          2HB       TYR  42 -17.541  -7.002   1.143
  314   2HB   TYR  42          1HB       TYR  42 -18.452  -8.495   0.987
  315    HD1  TYR  42           1HD      TYR  42 -16.457  -6.416   3.257
  316    HD2  TYR  42           2HD      TYR  42 -18.812  -9.939   2.884
  317    HE1  TYR  42           1HE      TYR  42 -16.558  -6.601   5.707
  318    HE2  TYR  42           2HE      TYR  42 -18.921 -10.133   5.333
  319    HH   TYR  42           HH       TYR  42 -17.646  -9.394   7.298
  Start of MODEL   19
    1   1H    ILE   1          1HT       ILE   1  -4.501  14.783  -2.892
    2   2H    ILE   1          2HT       ILE   1  -3.869  13.255  -2.434
    3   3H    ILE   1          3HT       ILE   1  -5.526  13.614  -2.170
    4    HA   ILE   1           HA       ILE   1  -4.139  13.262  -4.737
    5    HB   ILE   1           HB       ILE   1  -6.486  11.751  -3.593
    6   1HG1  ILE   1          2HG1      ILE   1  -4.536  11.360  -2.173
    7   2HG1  ILE   1          1HG1      ILE   1  -4.891   9.925  -3.129
    8   1HG2  ILE   1          1HG2      ILE   1  -4.716  10.594  -5.649
    9   2HG2  ILE   1          2HG2      ILE   1  -5.726  11.947  -6.161
   10   3HG2  ILE   1          3HG2      ILE   1  -6.469  10.502  -5.474
   11   1HD1  ILE   1          1HD1      ILE   1  -2.609  10.067  -3.309
   12   2HD1  ILE   1          2HD1      ILE   1  -2.614  11.830  -3.346
   13   3HD1  ILE   1          3HD1      ILE   1  -3.129  10.916  -4.764
   14    H    MET   2           H        MET   2  -5.140  13.981  -6.545
   15    HA   MET   2           HA       MET   2  -7.665  15.452  -6.168
   16   1HB   MET   2          2HB       MET   2  -5.637  15.977  -8.337
   17   2HB   MET   2          1HB       MET   2  -6.984  16.996  -7.849
   18   1HG   MET   2          2HG       MET   2  -5.672  16.940  -5.538
   19   2HG   MET   2          1HG       MET   2  -4.313  16.659  -6.626
   20   1HE   MET   2          1HE       MET   2  -4.137  18.617  -4.810
   21   2HE   MET   2          2HE       MET   2  -4.936  20.182  -4.972
   22   3HE   MET   2          3HE       MET   2  -3.408  19.881  -5.803
   23    H    PHE   3           H        PHE   3  -9.207  14.044  -6.801
   24    HA   PHE   3           HA       PHE   3  -9.805  13.605  -9.435
   25   1HB   PHE   3          2HB       PHE   3  -7.712  11.874  -8.639
   26   2HB   PHE   3          1HB       PHE   3  -9.159  10.882  -8.779
   27    HD1  PHE   3           1HD      PHE   3  -6.501  12.455 -10.527
   28    HD2  PHE   3           2HD      PHE   3 -10.504  11.075 -10.953
   29    HE1  PHE   3           1HE      PHE   3  -6.216  12.394 -12.970
   30    HE2  PHE   3           2HE      PHE   3 -10.226  11.011 -13.397
   31    HZ   PHE   3           HZ       PHE   3  -8.079  11.670 -14.408
   32    H    PHE   4           H        PHE   4  -9.867  12.114  -6.238
   33    HA   PHE   4           HA       PHE   4 -11.558  11.275  -4.971
   34   1HB   PHE   4          2HB       PHE   4 -12.505  13.567  -5.614
   35   2HB   PHE   4          1HB       PHE   4 -13.483  12.705  -6.797
   36    HD1  PHE   4           1HD      PHE   4 -13.447  13.996  -3.572
   37    HD2  PHE   4           2HD      PHE   4 -14.768  10.603  -5.775
   38    HE1  PHE   4           1HE      PHE   4 -15.123  13.526  -1.834
   39    HE2  PHE   4           2HE      PHE   4 -16.448  10.126  -4.040
   40    HZ   PHE   4           HZ       PHE   4 -16.626  11.589  -2.067
   41    H    GLU   5           H        GLU   5 -11.820   9.147  -5.156
   42    HA   GLU   5           HA       GLU   5 -13.841   7.969  -6.587
   43   1HB   GLU   5          2HB       GLU   5 -12.042   8.604  -8.426
   44   2HB   GLU   5          1HB       GLU   5 -11.291   7.115  -7.871
   45   1HG   GLU   5          2HG       GLU   5 -14.081   6.669  -8.300
   46   2HG   GLU   5          1HG       GLU   5 -13.374   7.424  -9.728
   47    H    MET   6           H        MET   6 -10.604   7.545  -5.281
   48    HA   MET   6           HA       MET   6 -11.381   4.892  -4.278
   49   1HB   MET   6          2HB       MET   6  -8.638   6.138  -4.543
   50   2HB   MET   6          1HB       MET   6  -8.965   4.526  -3.920
   51   1HG   MET   6          2HG       MET   6  -9.688   3.750  -6.023
   52   2HG   MET   6          1HG       MET   6  -9.782   5.384  -6.675
   53   1HE   MET   6          1HE       MET   6  -7.847   2.266  -6.177
   54   2HE   MET   6          2HE       MET   6  -6.448   2.555  -7.211
   55   3HE   MET   6          3HE       MET   6  -8.075   2.640  -7.885
   56    H    GLN   7           H        GLN   7 -10.034   4.427  -2.128
   57    HA   GLN   7           HA       GLN   7  -9.389   6.280  -0.267
   58   1HB   GLN   7          2HB       GLN   7 -12.217   6.366  -0.773
   59   2HB   GLN   7          1HB       GLN   7 -11.934   5.835   0.878
   60   1HG   GLN   7          2HG       GLN   7 -10.288   7.873   0.918
   61   2HG   GLN   7          1HG       GLN   7 -11.294   8.434  -0.417
   62   1HE2  GLN   7          1HE2      GLN   7 -10.860   8.905   2.687
   63   2HE2  GLN   7          2HE2      GLN   7 -12.476   9.186   3.224
   64    H    ALA   8           H        ALA   8 -10.339   5.400   2.104
   65    HA   ALA   8           HA       ALA   8  -9.234   2.725   2.220
   66   1HB   ALA   8          1HB       ALA   8 -10.197   4.536   4.432
   67   2HB   ALA   8          2HB       ALA   8  -8.535   4.386   3.864
   68   3HB   ALA   8          3HB       ALA   8  -9.326   3.018   4.645
   69    H    CYS   9           H        CYS   9 -10.365   1.220   3.898
   70    HA   CYS   9           HA       CYS   9 -13.122   0.904   2.974
   71   1HB   CYS   9          2HB       CYS   9 -11.509  -1.090   4.562
   72   2HB   CYS   9          1HB       CYS   9 -12.949  -1.389   3.595
   73    H    TRP  10           H        TRP  10 -12.154   2.778   5.157
   74    HA   TRP  10           HA       TRP  10 -12.906   1.889   7.670
   75   1HB   TRP  10          2HB       TRP  10 -12.736   4.572   6.373
   76   2HB   TRP  10          1HB       TRP  10 -13.519   4.447   7.944
   77    HD1  TRP  10           HD       TRP  10 -11.341   2.057   8.859
   78    HE1  TRP  10           1HE      TRP  10  -9.042   2.876   9.675
   79    HE3  TRP  10           3HE      TRP  10 -11.375   6.744   6.815
   80    HZ2  TRP  10           2HZ      TRP  10  -7.454   5.202   9.479
   81    HZ3  TRP  10           3HZ      TRP  10  -9.426   8.203   7.176
   82    HH2  TRP  10           HH       TRP  10  -7.508   7.446   8.482
   83    H    SER  11           H        SER  11 -14.849   3.028   4.995
   84    HA   SER  11           HA       SER  11 -17.275   2.917   6.627
   85   1HB   SER  11          2HB       SER  11 -16.770   4.853   5.032
   86   2HB   SER  11          1HB       SER  11 -17.114   3.721   3.724
   87    HG   SER  11           HG       SER  11 -19.186   3.710   4.251
   88    H    HIS  12           H        HIS  12 -15.868   1.507   3.697
   89    HA   HIS  12           HA       HIS  12 -17.996  -0.145   2.975
   90   1HB   HIS  12          2HB       HIS  12 -15.047  -0.722   2.628
   91   2HB   HIS  12          1HB       HIS  12 -16.365  -1.433   1.702
   92    HD1  HIS  12           1HD      HIS  12 -17.965   1.065   0.984
   93    HD2  HIS  12           2HD      HIS  12 -13.821   0.846   0.781
   94    HE1  HIS  12           1HE      HIS  12 -17.277   2.846  -0.654
   95    HE2  HIS  12           2HE      HIS  12 -14.762   2.727  -0.726
   96    H    SER  13           H        SER  13 -15.530  -0.531   5.416
   97    HA   SER  13           HA       SER  13 -15.250  -2.037   7.093
   98   1HB   SER  13          2HB       SER  13 -17.658  -1.542   7.496
   99   2HB   SER  13          1HB       SER  13 -18.079  -2.899   6.451
  100    HG   SER  13           HG       SER  13 -17.585  -4.244   7.998
  101    H    GLY  14           H        GLY  14 -14.533  -2.751   4.358
  102   1HA   GLY  14          2HA       GLY  14 -15.209  -5.386   3.695
  103   2HA   GLY  14          1HA       GLY  14 -13.725  -4.574   3.217
  104    H    VAL  15           H        VAL  15 -12.833  -6.787   3.455
  105    HA   VAL  15           HA       VAL  15 -12.196  -7.360   6.280
  106    HB   VAL  15           HB       VAL  15 -11.816  -9.495   4.246
  107   1HG1  VAL  15          1HG1      VAL  15 -12.979  -9.687   7.005
  108   2HG1  VAL  15          2HG1      VAL  15 -11.241  -9.605   6.722
  109   3HG1  VAL  15          3HG1      VAL  15 -12.181 -10.941   6.056
  110   1HG2  VAL  15          1HG2      VAL  15 -14.450  -8.361   4.992
  111   2HG2  VAL  15          2HG2      VAL  15 -14.307 -10.118   4.963
  112   3HG2  VAL  15          3HG2      VAL  15 -13.947  -9.181   3.515
  113    H    CYS  16           H        CYS  16 -10.337  -6.168   6.452
  114    HA   CYS  16           HA       CYS  16  -8.281  -6.119   4.507
  115   1HB   CYS  16          2HB       CYS  16  -8.507  -4.335   6.142
  116   2HB   CYS  16          1HB       CYS  16  -8.215  -5.465   7.460
  117    H    ARG  17           H        ARG  17  -7.280  -7.928   3.905
  118    HA   ARG  17           HA       ARG  17  -6.385  -9.801   5.992
  119   1HB   ARG  17          2HB       ARG  17  -7.918 -10.375   3.833
  120   2HB   ARG  17          1HB       ARG  17  -6.318 -10.658   3.162
  121   1HG   ARG  17          2HG       ARG  17  -6.002 -12.526   4.362
  122   2HG   ARG  17          1HG       ARG  17  -6.772 -11.856   5.802
  123   1HD   ARG  17          2HD       ARG  17  -8.865 -12.113   4.027
  124   2HD   ARG  17          1HD       ARG  17  -7.880 -13.537   3.696
  125    HE   ARG  17           HE       ARG  17  -8.355 -13.094   6.493
  126   1HH1  ARG  17          1HH1      ARG  17  -9.619 -14.527   3.573
  127   2HH1  ARG  17          2HH1      ARG  17 -10.594 -15.683   4.415
  128   1HH2  ARG  17          1HH2      ARG  17  -9.638 -14.614   7.602
  129   2HH2  ARG  17          2HH2      ARG  17 -10.607 -15.733   6.702
  130    H    ASP  18           H        ASP  18  -4.537 -11.177   4.273
  131    HA   ASP  18           HA       ASP  18  -2.340  -9.258   4.389
  132   1HB   ASP  18          2HB       ASP  18  -2.480 -11.828   5.242
  133   2HB   ASP  18          1HB       ASP  18  -1.783 -12.064   3.643
  134    H    LYS  19           H        LYS  19  -1.064  -8.713   2.651
  135    HA   LYS  19           HA       LYS  19  -2.221  -8.574   0.128
  136   1HB   LYS  19          2HB       LYS  19   0.495  -8.110   1.226
  137   2HB   LYS  19          1HB       LYS  19   0.369  -8.301  -0.517
  138   1HG   LYS  19          2HG       LYS  19  -1.680  -6.530   0.376
  139   2HG   LYS  19          1HG       LYS  19  -0.129  -6.001   1.027
  140   1HD   LYS  19          2HD       LYS  19   0.725  -5.524  -1.030
  141   2HD   LYS  19          1HD       LYS  19  -0.200  -6.797  -1.828
  142   1HE   LYS  19          2HE       LYS  19  -1.997  -4.830  -0.784
  143   2HE   LYS  19          1HE       LYS  19  -0.752  -4.031  -1.743
  144   1HZ   LYS  19          1HZ       LYS  19  -1.274  -5.441  -3.598
  145   2HZ   LYS  19          2HZ       LYS  19  -2.698  -4.704  -3.057
  146   3HZ   LYS  19          3HZ       LYS  19  -2.389  -6.324  -2.680
  147    H    SER  20           H        SER  20  -0.027 -10.944   1.488
  148    HA   SER  20           HA       SER  20   0.379 -12.355  -0.966
  149   1HB   SER  20          2HB       SER  20   1.972 -12.363   0.992
  150   2HB   SER  20          1HB       SER  20   0.825 -13.407   1.832
  151    HG   SER  20           HG       SER  20   1.042 -14.843  -0.022
  152    H    GLU  21           H        GLU  21  -2.200 -12.183   1.182
  153    HA   GLU  21           HA       GLU  21  -3.154 -14.874   0.562
  154   1HB   GLU  21          2HB       GLU  21  -3.204 -13.916   2.922
  155   2HB   GLU  21          1HB       GLU  21  -4.486 -12.855   2.358
  156   1HG   GLU  21          2HG       GLU  21  -5.757 -14.530   3.189
  157   2HG   GLU  21          1HG       GLU  21  -5.528 -15.152   1.556
  158    H    ARG  22           H        ARG  22  -3.786 -14.673  -1.571
  159    HA   ARG  22           HA       ARG  22  -5.741 -12.607  -2.244
  160   1HB   ARG  22          2HB       ARG  22  -4.236 -14.572  -3.968
  161   2HB   ARG  22          1HB       ARG  22  -5.415 -13.422  -4.581
  162   1HG   ARG  22          2HG       ARG  22  -3.242 -12.523  -4.947
  163   2HG   ARG  22          1HG       ARG  22  -4.006 -11.588  -3.661
  164   1HD   ARG  22          2HD       ARG  22  -2.550 -12.311  -2.086
  165   2HD   ARG  22          1HD       ARG  22  -2.409 -13.916  -2.802
  166    HE   ARG  22           HE       ARG  22  -0.737 -11.634  -3.314
  167   1HH1  ARG  22          1HH1      ARG  22  -1.894 -14.674  -4.577
  168   2HH1  ARG  22          2HH1      ARG  22  -0.539 -14.895  -5.632
  169   1HH2  ARG  22          1HH2      ARG  22   1.047 -11.922  -4.701
  170   2HH2  ARG  22          2HH2      ARG  22   1.131 -13.333  -5.702
  171    H    ASN  23           H        ASN  23  -6.636 -14.577  -0.478
  172    HA   ASN  23           HA       ASN  23  -8.181 -16.485  -2.034
  173   1HB   ASN  23          2HB       ASN  23  -7.174 -16.341   0.646
  174   2HB   ASN  23          1HB       ASN  23  -8.919 -16.558   0.704
  175   1HD2  ASN  23          1HD2      ASN  23  -6.116 -17.784  -1.091
  176   2HD2  ASN  23          2HD2      ASN  23  -6.609 -19.440  -1.066
  177    H    CYS  24           H        CYS  24  -8.585 -13.455  -0.386
  178    HA   CYS  24           HA       CYS  24 -11.488 -13.617  -0.453
  179   1HB   CYS  24          2HB       CYS  24  -9.761 -12.390   1.265
  180   2HB   CYS  24          1HB       CYS  24 -10.222 -11.045   0.229
  181    H    LYS  25           H        LYS  25 -12.515 -11.377  -1.194
  182    HA   LYS  25           HA       LYS  25 -12.250 -11.274  -3.983
  183   1HB   LYS  25          2HB       LYS  25 -13.878 -10.013  -1.958
  184   2HB   LYS  25          1HB       LYS  25 -13.404  -8.841  -3.180
  185   1HG   LYS  25          2HG       LYS  25 -15.539  -9.891  -3.713
  186   2HG   LYS  25          1HG       LYS  25 -14.314 -10.260  -4.927
  187   1HD   LYS  25          2HD       LYS  25 -15.118 -12.362  -4.636
  188   2HD   LYS  25          1HD       LYS  25 -13.952 -12.358  -3.313
  189   1HE   LYS  25          2HE       LYS  25 -16.772 -11.443  -2.885
  190   2HE   LYS  25          1HE       LYS  25 -16.363 -13.158  -2.849
  191   1HZ   LYS  25          1HZ       LYS  25 -16.095 -12.622  -0.667
  192   2HZ   LYS  25          2HZ       LYS  25 -15.620 -11.029  -0.980
  193   3HZ   LYS  25          3HZ       LYS  25 -14.526 -12.299  -1.211
  194    HA   PRO  26           HA       PRO  26  -8.890  -8.404  -4.348
  195   1HB   PRO  26          2HB       PRO  26  -8.892  -8.082  -6.992
  196   2HB   PRO  26          1HB       PRO  26  -8.527  -9.654  -6.271
  197   1HG   PRO  26          2HG       PRO  26 -11.035  -8.704  -7.577
  198   2HG   PRO  26          1HG       PRO  26 -10.279 -10.306  -7.627
  199   1HD   PRO  26          2HD       PRO  26 -12.411  -9.537  -5.976
  200   2HD   PRO  26          1HD       PRO  26 -11.411 -10.990  -5.782
  201    H    MET  27           H        MET  27  -9.658  -6.542  -3.278
  202    HA   MET  27           HA       MET  27 -11.490  -4.733  -4.547
  203   1HB   MET  27          2HB       MET  27 -10.311  -5.054  -1.963
  204   2HB   MET  27          1HB       MET  27 -10.022  -3.408  -2.504
  205   1HG   MET  27          2HG       MET  27 -12.274  -2.907  -2.602
  206   2HG   MET  27          1HG       MET  27 -12.752  -4.598  -2.701
  207   1HE   MET  27          1HE       MET  27 -13.672  -1.973  -0.655
  208   2HE   MET  27          2HE       MET  27 -14.175  -2.974   0.706
  209   3HE   MET  27          3HE       MET  27 -14.609  -3.440  -0.938
  210    H    ALA  28           H        ALA  28 -10.766  -3.891  -6.433
  211    HA   ALA  28           HA       ALA  28  -8.070  -2.740  -6.503
  212   1HB   ALA  28          1HB       ALA  28  -9.652  -2.812  -8.988
  213   2HB   ALA  28          2HB       ALA  28  -9.237  -4.379  -8.294
  214   3HB   ALA  28          3HB       ALA  28  -7.962  -3.231  -8.701
  215    H    TRP  29           H        TRP  29  -9.492  -1.155  -5.017
  216    HA   TRP  29           HA       TRP  29  -9.582   1.263  -6.416
  217   1HB   TRP  29          2HB       TRP  29 -11.955   1.758  -5.933
  218   2HB   TRP  29          1HB       TRP  29 -11.752   0.499  -7.136
  219    HD1  TRP  29           HD       TRP  29 -11.766  -2.117  -5.809
  220    HE1  TRP  29           1HE      TRP  29 -13.574  -2.930  -4.166
  221    HE3  TRP  29           3HE      TRP  29 -13.677   2.410  -4.399
  222    HZ2  TRP  29           2HZ      TRP  29 -15.543  -1.799  -2.490
  223    HZ3  TRP  29           3HZ      TRP  29 -15.524   2.456  -2.774
  224    HH2  TRP  29           HH       TRP  29 -16.438   0.393  -1.842
  225    H    THR  30           H        THR  30 -10.631  -0.504  -3.544
  226    HA   THR  30           HA       THR  30 -10.030   1.833  -1.876
  227    HB   THR  30           HB       THR  30 -11.110   0.323  -0.074
  228    HG1  THR  30           1HG      THR  30 -12.124  -0.966  -2.377
  229   1HG2  THR  30          1HG2      THR  30 -12.646   1.887  -0.454
  230   2HG2  THR  30          2HG2      THR  30 -13.438   0.655  -1.436
  231   3HG2  THR  30          3HG2      THR  30 -12.391   1.851  -2.199
  232    H    TYR  31           H        TYR  31  -9.024   1.267   0.308
  233    HA   TYR  31           HA       TYR  31  -7.089  -0.923   0.109
  234   1HB   TYR  31          2HB       TYR  31  -5.296   0.653   0.937
  235   2HB   TYR  31          1HB       TYR  31  -5.814   0.909  -0.725
  236    HD1  TYR  31           1HD      TYR  31  -6.168   2.190   2.735
  237    HD2  TYR  31           2HD      TYR  31  -6.709   2.985  -1.409
  238    HE1  TYR  31           1HE      TYR  31  -6.638   4.547   3.254
  239    HE2  TYR  31           2HE      TYR  31  -7.180   5.343  -0.902
  240    HH   TYR  31           HH       TYR  31  -8.102   6.491   1.817
  241    H    CYS  32           H        CYS  32  -5.907  -1.248   2.201
  242    HA   CYS  32           HA       CYS  32  -7.821  -1.092   4.385
  243   1HB   CYS  32          2HB       CYS  32  -6.811  -3.247   4.006
  244   2HB   CYS  32          1HB       CYS  32  -5.195  -2.556   4.072
  245    H    GLU  33           H        GLU  33  -4.277  -0.822   4.448
  246    HA   GLU  33           HA       GLU  33  -4.159   1.853   5.299
  247   1HB   GLU  33          2HB       GLU  33  -5.288   0.921   7.303
  248   2HB   GLU  33          1HB       GLU  33  -3.927  -0.167   7.538
  249   1HG   GLU  33          2HG       GLU  33  -3.449   1.533   9.007
  250   2HG   GLU  33          1HG       GLU  33  -2.516   2.001   7.586
  251    H    ASN  34           H        ASN  34  -2.679  -1.340   5.777
  252    HA   ASN  34           HA       ASN  34  -0.031  -0.130   5.415
  253   1HB   ASN  34          2HB       ASN  34  -0.581  -1.681   7.390
  254   2HB   ASN  34          1HB       ASN  34  -0.561  -2.988   6.210
  255   1HD2  ASN  34          1HD2      ASN  34   1.166  -3.109   8.254
  256   2HD2  ASN  34          2HD2      ASN  34   2.778  -2.796   7.717
  257    H    ARG  35           H        ARG  35   1.393  -0.850   3.831
  258    HA   ARG  35           HA       ARG  35   0.220  -1.718   1.414
  259   1HB   ARG  35          2HB       ARG  35   3.062  -1.288   2.295
  260   2HB   ARG  35          1HB       ARG  35   2.645  -1.800   0.672
  261   1HG   ARG  35          2HG       ARG  35   1.451   0.663   1.875
  262   2HG   ARG  35          1HG       ARG  35   3.031   0.690   1.092
  263   1HD   ARG  35          2HD       ARG  35   1.750   1.192  -0.716
  264   2HD   ARG  35          1HD       ARG  35   1.665  -0.566  -0.814
  265    HE   ARG  35           HE       ARG  35  -0.429   0.601   0.771
  266   1HH1  ARG  35          1HH1      ARG  35   0.560  -0.285  -2.456
  267   2HH1  ARG  35          2HH1      ARG  35  -1.060  -0.398  -3.057
  268   1HH2  ARG  35          1HH2      ARG  35  -2.561   0.455  -0.016
  269   2HH2  ARG  35          2HH2      ARG  35  -2.832   0.023  -1.672
  270    H    ASN  36           H        ASN  36   1.183  -3.447   4.085
  271    HA   ASN  36           HA       ASN  36   2.042  -5.813   2.633
  272   1HB   ASN  36          2HB       ASN  36   3.110  -5.110   4.796
  273   2HB   ASN  36          1HB       ASN  36   1.598  -5.504   5.607
  274   1HD2  ASN  36          1HD2      ASN  36   3.557  -6.811   6.609
  275   2HD2  ASN  36          2HD2      ASN  36   3.660  -8.441   6.047
  276    H    GLN  37           H        GLN  37  -0.854  -4.466   3.852
  277    HA   GLN  37           HA       GLN  37  -2.186  -7.085   3.807
  278   1HB   GLN  37          2HB       GLN  37  -2.791  -4.495   5.178
  279   2HB   GLN  37          1HB       GLN  37  -4.106  -5.603   4.815
  280   1HG   GLN  37          2HG       GLN  37  -3.451  -6.087   7.011
  281   2HG   GLN  37          1HG       GLN  37  -2.773  -7.376   6.019
  282   1HE2  GLN  37          1HE2      GLN  37  -0.717  -7.840   6.318
  283   2HE2  GLN  37          2HE2      GLN  37   0.459  -6.816   7.063
  284    H    LYS  38           H        LYS  38  -4.457  -7.043   2.935
  285    HA   LYS  38           HA       LYS  38  -4.827  -5.119   0.761
  286   1HB   LYS  38          2HB       LYS  38  -5.339  -6.893  -0.838
  287   2HB   LYS  38          1HB       LYS  38  -3.695  -7.052  -0.235
  288   1HG   LYS  38          2HG       LYS  38  -4.141  -9.160   0.263
  289   2HG   LYS  38          1HG       LYS  38  -5.280  -8.590   1.483
  290   1HD   LYS  38          2HD       LYS  38  -6.543 -10.035   0.142
  291   2HD   LYS  38          1HD       LYS  38  -6.966  -8.423  -0.438
  292   1HE   LYS  38          2HE       LYS  38  -4.989  -8.846  -2.106
  293   2HE   LYS  38          1HE       LYS  38  -5.310 -10.539  -1.735
  294   1HZ   LYS  38          1HZ       LYS  38  -6.767 -10.316  -3.416
  295   2HZ   LYS  38          2HZ       LYS  38  -6.903  -8.639  -3.245
  296   3HZ   LYS  38          3HZ       LYS  38  -7.772  -9.666  -2.221
  297    H    CYS  39           H        CYS  39  -6.747  -4.237   1.116
  298    HA   CYS  39           HA       CYS  39  -8.729  -5.276   2.789
  299   1HB   CYS  39          2HB       CYS  39  -8.420  -2.865   1.998
  300   2HB   CYS  39          1HB       CYS  39  -9.274  -3.348   0.537
  301    H    CYS  40           H        CYS  40 -10.494  -6.524   2.480
  302    HA   CYS  40           HA       CYS  40 -10.726  -7.859  -0.114
  303   1HB   CYS  40          2HB       CYS  40 -10.508  -9.400   1.692
  304   2HB   CYS  40          1HB       CYS  40 -11.719  -8.552   2.640
  305    H    GLU  41           H        GLU  41 -12.505  -7.723  -1.377
  306    HA   GLU  41           HA       GLU  41 -14.377  -5.613  -0.834
  307   1HB   GLU  41          2HB       GLU  41 -13.365  -6.592  -3.122
  308   2HB   GLU  41          1HB       GLU  41 -14.874  -7.494  -3.072
  309   1HG   GLU  41          2HG       GLU  41 -15.015  -4.576  -2.592
  310   2HG   GLU  41          1HG       GLU  41 -14.664  -5.120  -4.232
  311    H    TYR  42           H        TYR  42 -15.535  -6.278   0.981
  312    HA   TYR  42           HA       TYR  42 -16.631  -8.525   1.758
  313   1HB   TYR  42          2HB       TYR  42 -18.500  -7.272   2.718
  314   2HB   TYR  42          1HB       TYR  42 -16.984  -6.399   2.903
  315    HD1  TYR  42           1HD      TYR  42 -16.482  -4.521   1.257
  316    HD2  TYR  42           2HD      TYR  42 -20.339  -6.274   1.656
  317    HE1  TYR  42           1HE      TYR  42 -17.483  -2.549   0.181
  318    HE2  TYR  42           2HE      TYR  42 -21.349  -4.306   0.580
  319    HH   TYR  42           HH       TYR  42 -20.294  -2.428  -1.185
  Start of MODEL   20
    1   1H    ILE   1          1HT       ILE   1   5.079   9.672  -9.151
    2   2H    ILE   1          2HT       ILE   1   4.999   9.258  -7.487
    3   3H    ILE   1          3HT       ILE   1   6.248  10.287  -8.059
    4    HA   ILE   1           HA       ILE   1   4.249  11.264  -6.858
    5    HB   ILE   1           HB       ILE   1   6.012  12.581  -7.918
    6   1HG1  ILE   1          2HG1      ILE   1   3.550  13.881  -8.972
    7   2HG1  ILE   1          1HG1      ILE   1   3.578  13.470  -7.259
    8   1HG2  ILE   1          1HG2      ILE   1   4.575  12.889 -10.470
    9   2HG2  ILE   1          2HG2      ILE   1   5.377  11.338 -10.219
   10   3HG2  ILE   1          3HG2      ILE   1   6.307  12.835 -10.136
   11   1HD1  ILE   1          1HD1      ILE   1   4.330  15.681  -7.386
   12   2HD1  ILE   1          2HD1      ILE   1   5.380  15.336  -8.760
   13   3HD1  ILE   1          3HD1      ILE   1   5.788  14.715  -7.160
   14    H    MET   2           H        MET   2   2.494   9.654  -7.237
   15    HA   MET   2           HA       MET   2   0.830  10.336  -9.564
   16   1HB   MET   2          2HB       MET   2   1.092   7.892  -7.863
   17   2HB   MET   2          1HB       MET   2  -0.446   8.215  -8.651
   18   1HG   MET   2          2HG       MET   2   0.723   8.312 -10.819
   19   2HG   MET   2          1HG       MET   2   2.225   7.889  -9.998
   20   1HE   MET   2          1HE       MET   2   1.287   4.753 -12.072
   21   2HE   MET   2          2HE       MET   2   2.731   5.274 -11.206
   22   3HE   MET   2          3HE       MET   2   1.846   6.420 -12.213
   23    H    PHE   3           H        PHE   3  -0.561  11.918  -9.104
   24    HA   PHE   3           HA       PHE   3  -1.386  12.838  -6.673
   25   1HB   PHE   3          2HB       PHE   3  -2.561  12.940  -9.408
   26   2HB   PHE   3          1HB       PHE   3  -3.566  13.468  -8.061
   27    HD1  PHE   3           1HD      PHE   3  -0.974  14.364 -10.334
   28    HD2  PHE   3           2HD      PHE   3  -2.628  15.265  -6.519
   29    HE1  PHE   3           1HE      PHE   3   0.133  16.560 -10.378
   30    HE2  PHE   3           2HE      PHE   3  -1.524  17.464  -6.556
   31    HZ   PHE   3           HZ       PHE   3  -0.142  18.115  -8.487
   32    H    PHE   4           H        PHE   4  -2.152  11.598  -5.072
   33    HA   PHE   4           HA       PHE   4  -3.800   9.314  -5.508
   34   1HB   PHE   4          2HB       PHE   4  -2.687  10.738  -3.149
   35   2HB   PHE   4          1HB       PHE   4  -4.102   9.726  -2.879
   36    HD1  PHE   4           1HD      PHE   4  -0.667   9.680  -4.277
   37    HD2  PHE   4           2HD      PHE   4  -3.885   7.419  -2.652
   38    HE1  PHE   4           1HE      PHE   4   0.779   7.693  -4.192
   39    HE2  PHE   4           2HE      PHE   4  -2.444   5.426  -2.563
   40    HZ   PHE   4           HZ       PHE   4  -0.109   5.561  -3.334
   41    H    GLU   5           H        GLU   5  -5.910   9.065  -4.305
   42    HA   GLU   5           HA       GLU   5  -7.549  11.148  -3.601
   43   1HB   GLU   5          2HB       GLU   5  -7.158  11.471  -6.209
   44   2HB   GLU   5          1HB       GLU   5  -8.432  10.264  -6.303
   45   1HG   GLU   5          2HG       GLU   5  -9.554  11.952  -4.554
   46   2HG   GLU   5          1HG       GLU   5  -8.548  13.084  -5.456
   47    H    MET   6           H        MET   6  -6.998   8.553  -2.750
   48    HA   MET   6           HA       MET   6  -9.472   7.075  -3.321
   49   1HB   MET   6          2HB       MET   6  -6.987   6.069  -1.925
   50   2HB   MET   6          1HB       MET   6  -8.338   5.107  -2.507
   51   1HG   MET   6          2HG       MET   6  -7.175   6.685  -4.627
   52   2HG   MET   6          1HG       MET   6  -5.974   5.659  -3.846
   53   1HE   MET   6          1HE       MET   6  -6.170   2.509  -4.854
   54   2HE   MET   6          2HE       MET   6  -7.493   2.359  -3.698
   55   3HE   MET   6          3HE       MET   6  -6.144   3.443  -3.358
   56    H    GLN   7           H        GLN   7  -9.142   5.481  -0.848
   57    HA   GLN   7           HA       GLN   7  -9.183   7.073   1.413
   58   1HB   GLN   7          2HB       GLN   7 -11.588   7.199  -0.123
   59   2HB   GLN   7          1HB       GLN   7 -11.932   6.361   1.384
   60   1HG   GLN   7          2HG       GLN   7 -10.523   8.434   2.336
   61   2HG   GLN   7          1HG       GLN   7 -11.217   9.177   0.896
   62   1HE2  GLN   7          1HE2      GLN   7 -13.660   8.169   0.696
   63   2HE2  GLN   7          2HE2      GLN   7 -14.612   8.526   2.092
   64    H    ALA   8           H        ALA   8  -9.435   5.879   3.306
   65    HA   ALA   8           HA       ALA   8  -8.766   3.190   3.210
   66   1HB   ALA   8          1HB       ALA   8  -8.359   3.661   5.339
   67   2HB   ALA   8          2HB       ALA   8 -10.091   3.599   5.660
   68   3HB   ALA   8          3HB       ALA   8  -9.328   5.131   5.234
   69    H    CYS   9           H        CYS   9 -10.169   1.509   4.529
   70    HA   CYS   9           HA       CYS   9 -12.609   1.181   2.982
   71   1HB   CYS   9          2HB       CYS   9 -10.693  -0.574   4.256
   72   2HB   CYS   9          1HB       CYS   9 -12.335  -1.001   4.724
   73    H    TRP  10           H        TRP  10 -12.058   2.901   5.605
   74    HA   TRP  10           HA       TRP  10 -13.681   1.989   7.642
   75   1HB   TRP  10          2HB       TRP  10 -13.470   4.895   6.872
   76   2HB   TRP  10          1HB       TRP  10 -13.705   4.216   8.479
   77    HD1  TRP  10           HD       TRP  10 -11.189   6.067   7.030
   78    HE1  TRP  10           1HE      TRP  10  -8.809   5.352   7.701
   79    HE3  TRP  10           3HE      TRP  10 -12.213   1.375   8.789
   80    HZ2  TRP  10           2HZ      TRP  10  -7.535   3.099   8.825
   81    HZ3  TRP  10           3HZ      TRP  10 -10.357   0.005   9.643
   82    HH2  TRP  10           HH       TRP  10  -8.066   0.851   9.660
   83    H    SER  11           H        SER  11 -14.540   3.458   4.603
   84    HA   SER  11           HA       SER  11 -17.371   3.476   5.405
   85   1HB   SER  11          2HB       SER  11 -16.159   5.587   4.460
   86   2HB   SER  11          1HB       SER  11 -16.350   4.782   2.901
   87    HG   SER  11           HG       SER  11 -18.552   4.832   3.156
   88    H    HIS  12           H        HIS  12 -16.145   1.031   4.800
   89    HA   HIS  12           HA       HIS  12 -17.895   0.085   2.748
   90   1HB   HIS  12          2HB       HIS  12 -15.492   1.016   1.793
   91   2HB   HIS  12          1HB       HIS  12 -15.163  -0.699   2.016
   92    HD1  HIS  12           1HD      HIS  12 -16.058  -2.265   0.275
   93    HD2  HIS  12           2HD      HIS  12 -17.702   1.541  -0.009
   94    HE1  HIS  12           1HE      HIS  12 -17.394  -2.267  -1.855
   95    HE2  HIS  12           2HE      HIS  12 -18.309   0.072  -2.050
   96    H    SER  13           H        SER  13 -14.896  -0.703   4.498
   97    HA   SER  13           HA       SER  13 -14.295  -2.495   5.761
   98   1HB   SER  13          2HB       SER  13 -16.865  -1.892   6.534
   99   2HB   SER  13          1HB       SER  13 -16.987  -3.604   6.133
  100    HG   SER  13           HG       SER  13 -15.037  -3.824   7.500
  101    H    GLY  14           H        GLY  14 -13.228  -3.808   4.369
  102   1HA   GLY  14          2HA       GLY  14 -14.853  -5.826   2.942
  103   2HA   GLY  14          1HA       GLY  14 -13.359  -5.161   2.297
  104    H    VAL  15           H        VAL  15 -11.652  -6.432   2.487
  105    HA   VAL  15           HA       VAL  15 -11.449  -8.186   4.839
  106    HB   VAL  15           HB       VAL  15 -10.687  -9.048   2.048
  107   1HG1  VAL  15          1HG1      VAL  15  -9.740  -9.982   4.397
  108   2HG1  VAL  15          2HG1      VAL  15  -9.912 -10.966   2.944
  109   3HG1  VAL  15          3HG1      VAL  15 -11.158 -11.010   4.192
  110   1HG2  VAL  15          1HG2      VAL  15 -12.696 -10.673   2.552
  111   2HG2  VAL  15          2HG2      VAL  15 -12.969  -9.081   1.843
  112   3HG2  VAL  15          3HG2      VAL  15 -13.231  -9.334   3.569
  113    H    CYS  16           H        CYS  16 -10.018  -6.513   5.626
  114    HA   CYS  16           HA       CYS  16  -7.616  -5.854   4.236
  115   1HB   CYS  16          2HB       CYS  16  -8.584  -4.324   5.877
  116   2HB   CYS  16          1HB       CYS  16  -8.356  -5.518   7.150
  117    H    ARG  17           H        ARG  17  -6.612  -7.800   3.702
  118    HA   ARG  17           HA       ARG  17  -5.179  -9.049   5.930
  119   1HB   ARG  17          2HB       ARG  17  -7.329 -10.319   4.881
  120   2HB   ARG  17          1HB       ARG  17  -6.067 -10.911   3.809
  121   1HG   ARG  17          2HG       ARG  17  -5.785 -12.490   5.365
  122   2HG   ARG  17          1HG       ARG  17  -4.897 -11.240   6.238
  123   1HD   ARG  17          2HD       ARG  17  -7.778 -11.104   6.657
  124   2HD   ARG  17          1HD       ARG  17  -7.077 -12.636   7.177
  125    HE   ARG  17           HE       ARG  17  -5.497 -10.525   8.144
  126   1HH1  ARG  17          1HH1      ARG  17  -8.642 -11.959   8.628
  127   2HH1  ARG  17          2HH1      ARG  17  -8.743 -11.479  10.289
  128   1HH2  ARG  17          1HH2      ARG  17  -5.629  -9.893  10.328
  129   2HH2  ARG  17          2HH2      ARG  17  -7.034 -10.305  11.254
  130    H    ASP  18           H        ASP  18  -3.818 -10.988   4.503
  131    HA   ASP  18           HA       ASP  18  -1.787  -9.454   3.269
  132   1HB   ASP  18          2HB       ASP  18  -1.521 -11.693   4.443
  133   2HB   ASP  18          1HB       ASP  18  -2.162 -12.437   2.982
  134    H    LYS  19           H        LYS  19  -1.355  -9.009   1.167
  135    HA   LYS  19           HA       LYS  19  -3.422  -9.081  -0.725
  136   1HB   LYS  19          2HB       LYS  19  -0.496  -8.870  -1.416
  137   2HB   LYS  19          1HB       LYS  19  -1.862  -8.178  -2.278
  138   1HG   LYS  19          2HG       LYS  19  -2.279  -6.767  -0.223
  139   2HG   LYS  19          1HG       LYS  19  -0.701  -7.312   0.352
  140   1HD   LYS  19          2HD       LYS  19  -0.932  -6.169  -2.394
  141   2HD   LYS  19          1HD       LYS  19  -0.939  -5.078  -1.007
  142   1HE   LYS  19          2HE       LYS  19   1.204  -7.042  -1.796
  143   2HE   LYS  19          1HE       LYS  19   1.316  -5.283  -1.763
  144   1HZ   LYS  19          1HZ       LYS  19   0.663  -5.763   0.760
  145   2HZ   LYS  19          2HZ       LYS  19   2.266  -5.701   0.221
  146   3HZ   LYS  19          3HZ       LYS  19   1.498  -7.195   0.419
  147    H    SER  20           H        SER  20  -0.893 -11.346   0.025
  148    HA   SER  20           HA       SER  20  -1.700 -13.015  -2.258
  149   1HB   SER  20          2HB       SER  20   0.758 -12.356  -1.928
  150   2HB   SER  20          1HB       SER  20   0.745 -13.452  -0.547
  151    HG   SER  20           HG       SER  20  -0.028 -14.215  -3.166
  152    H    GLU  21           H        GLU  21  -3.320 -12.790   0.087
  153    HA   GLU  21           HA       GLU  21  -2.859 -15.041   1.789
  154   1HB   GLU  21          2HB       GLU  21  -4.166 -12.807   2.191
  155   2HB   GLU  21          1HB       GLU  21  -5.508 -13.683   1.482
  156   1HG   GLU  21          2HG       GLU  21  -4.393 -15.383   3.421
  157   2HG   GLU  21          1HG       GLU  21  -4.465 -13.778   4.146
  158    H    ARG  22           H        ARG  22  -5.409 -16.177   1.977
  159    HA   ARG  22           HA       ARG  22  -5.672 -17.525  -0.625
  160   1HB   ARG  22          2HB       ARG  22  -6.413 -18.888   1.933
  161   2HB   ARG  22          1HB       ARG  22  -5.901 -19.590   0.405
  162   1HG   ARG  22          2HG       ARG  22  -4.006 -19.951   1.571
  163   2HG   ARG  22          1HG       ARG  22  -3.652 -18.306   1.044
  164   1HD   ARG  22          2HD       ARG  22  -4.591 -17.465   3.174
  165   2HD   ARG  22          1HD       ARG  22  -4.829 -19.132   3.696
  166    HE   ARG  22           HE       ARG  22  -2.357 -17.665   3.636
  167   1HH1  ARG  22          1HH1      ARG  22  -3.802 -20.841   3.609
  168   2HH1  ARG  22          2HH1      ARG  22  -2.390 -21.625   4.236
  169   1HH2  ARG  22          1HH2      ARG  22  -0.501 -18.693   4.460
  170   2HH2  ARG  22          2HH2      ARG  22  -0.516 -20.406   4.719
  171    H    ASN  23           H        ASN  23  -7.155 -15.216   0.769
  172    HA   ASN  23           HA       ASN  23  -9.810 -16.154   0.038
  173   1HB   ASN  23          2HB       ASN  23  -9.149 -16.247   2.672
  174   2HB   ASN  23          1HB       ASN  23  -9.774 -14.605   2.553
  175   1HD2  ASN  23          1HD2      ASN  23 -10.517 -17.959   2.494
  176   2HD2  ASN  23          2HD2      ASN  23 -12.235 -17.802   2.415
  177    H    CYS  24           H        CYS  24  -7.961 -14.354  -1.187
  178    HA   CYS  24           HA       CYS  24  -9.093 -11.706  -0.697
  179   1HB   CYS  24          2HB       CYS  24  -6.527 -12.508  -1.185
  180   2HB   CYS  24          1HB       CYS  24  -7.045 -12.005  -2.790
  181    H    LYS  25           H        LYS  25 -10.597 -10.845  -1.980
  182    HA   LYS  25           HA       LYS  25 -11.123 -12.145  -4.571
  183   1HB   LYS  25          2HB       LYS  25 -12.907 -11.083  -2.450
  184   2HB   LYS  25          1HB       LYS  25 -13.421 -10.833  -4.112
  185   1HG   LYS  25          2HG       LYS  25 -13.817 -13.034  -4.471
  186   2HG   LYS  25          1HG       LYS  25 -12.536 -13.558  -3.375
  187   1HD   LYS  25          2HD       LYS  25 -14.287 -14.119  -2.057
  188   2HD   LYS  25          1HD       LYS  25 -14.211 -12.413  -1.610
  189   1HE   LYS  25          2HE       LYS  25 -16.389 -12.423  -2.173
  190   2HE   LYS  25          1HE       LYS  25 -15.766 -12.277  -3.815
  191   1HZ   LYS  25          1HZ       LYS  25 -17.392 -14.027  -3.704
  192   2HZ   LYS  25          2HZ       LYS  25 -16.555 -14.794  -2.452
  193   3HZ   LYS  25          3HZ       LYS  25 -15.870 -14.708  -3.996
  194    HA   PRO  26           HA       PRO  26 -10.406  -8.466  -6.864
  195   1HB   PRO  26          2HB       PRO  26 -12.709  -8.177  -8.351
  196   2HB   PRO  26          1HB       PRO  26 -11.395  -9.289  -8.746
  197   1HG   PRO  26          2HG       PRO  26 -13.985  -9.834  -7.356
  198   2HG   PRO  26          1HG       PRO  26 -13.141 -10.806  -8.575
  199   1HD   PRO  26          2HD       PRO  26 -13.055 -11.439  -5.970
  200   2HD   PRO  26          1HD       PRO  26 -11.648 -11.675  -7.028
  201    H    MET  27           H        MET  27 -10.403  -6.997  -5.106
  202    HA   MET  27           HA       MET  27 -12.838  -5.760  -4.208
  203   1HB   MET  27          2HB       MET  27 -11.355  -4.312  -2.892
  204   2HB   MET  27          1HB       MET  27 -10.961  -6.011  -2.683
  205   1HG   MET  27          2HG       MET  27  -8.862  -5.302  -2.997
  206   2HG   MET  27          1HG       MET  27  -9.298  -5.388  -4.704
  207   1HE   MET  27          1HE       MET  27  -7.532  -3.685  -2.304
  208   2HE   MET  27          2HE       MET  27  -7.404  -2.004  -2.823
  209   3HE   MET  27          3HE       MET  27  -6.802  -3.296  -3.861
  210    H    ALA  28           H        ALA  28 -12.882  -3.306  -4.133
  211    HA   ALA  28           HA       ALA  28 -12.164  -2.215  -6.769
  212   1HB   ALA  28          1HB       ALA  28 -14.627  -2.723  -6.414
  213   2HB   ALA  28          2HB       ALA  28 -14.228  -1.082  -6.922
  214   3HB   ALA  28          3HB       ALA  28 -14.623  -1.411  -5.235
  215    H    TRP  29           H        TRP  29 -10.562  -0.825  -6.430
  216    HA   TRP  29           HA       TRP  29  -9.173   0.619  -5.358
  217   1HB   TRP  29          2HB       TRP  29 -10.026   2.804  -5.434
  218   2HB   TRP  29          1HB       TRP  29 -10.913   1.923  -6.661
  219    HD1  TRP  29           HD       TRP  29 -13.466   1.053  -5.792
  220    HE1  TRP  29           1HE      TRP  29 -15.178   2.380  -4.403
  221    HE3  TRP  29           3HE      TRP  29 -10.329   4.536  -3.750
  222    HZ2  TRP  29           2HZ      TRP  29 -15.196   4.609  -2.672
  223    HZ3  TRP  29           3HZ      TRP  29 -11.276   6.234  -2.240
  224    HH2  TRP  29           HH       TRP  29 -13.659   6.268  -1.714
  225    H    THR  30           H        THR  30  -9.805   2.641  -3.424
  226    HA   THR  30           HA       THR  30  -9.826   2.981  -1.176
  227    HB   THR  30           HB       THR  30 -11.407   1.894   0.157
  228    HG1  THR  30           1HG      THR  30 -10.880  -0.199   0.116
  229   1HG2  THR  30          1HG2      THR  30 -12.390   1.544  -2.661
  230   2HG2  THR  30          2HG2      THR  30 -12.620   2.943  -1.612
  231   3HG2  THR  30          3HG2      THR  30 -13.395   1.408  -1.219
  232    H    TYR  31           H        TYR  31  -8.836   2.232   0.819
  233    HA   TYR  31           HA       TYR  31  -7.163  -0.162   0.525
  234   1HB   TYR  31          2HB       TYR  31  -5.231   1.108   1.468
  235   2HB   TYR  31          1HB       TYR  31  -5.719   1.652  -0.134
  236    HD1  TYR  31           1HD      TYR  31  -7.019   3.775  -0.362
  237    HD2  TYR  31           2HD      TYR  31  -5.284   2.576   3.333
  238    HE1  TYR  31           1HE      TYR  31  -7.229   6.076   0.476
  239    HE2  TYR  31           2HE      TYR  31  -5.491   4.874   4.183
  240    HH   TYR  31           HH       TYR  31  -6.063   7.508   2.239
  241    H    CYS  32           H        CYS  32  -5.922  -0.507   2.708
  242    HA   CYS  32           HA       CYS  32  -7.956  -0.401   4.810
  243   1HB   CYS  32          2HB       CYS  32  -7.088  -2.616   4.278
  244   2HB   CYS  32          1HB       CYS  32  -5.442  -2.066   4.567
  245    H    GLU  33           H        GLU  33  -4.398  -0.431   4.951
  246    HA   GLU  33           HA       GLU  33  -4.047   2.155   5.943
  247   1HB   GLU  33          2HB       GLU  33  -5.268   0.537   7.847
  248   2HB   GLU  33          1HB       GLU  33  -3.572   0.526   8.312
  249   1HG   GLU  33          2HG       GLU  33  -4.571   3.180   7.641
  250   2HG   GLU  33          1HG       GLU  33  -5.413   2.429   8.996
  251    H    ASN  34           H        ASN  34  -2.921  -1.171   6.530
  252    HA   ASN  34           HA       ASN  34  -0.152  -0.281   6.451
  253   1HB   ASN  34          2HB       ASN  34  -1.123  -2.045   8.069
  254   2HB   ASN  34          1HB       ASN  34  -1.056  -3.142   6.693
  255   1HD2  ASN  34          1HD2      ASN  34   0.979  -0.806   8.416
  256   2HD2  ASN  34          2HD2      ASN  34   2.430  -1.738   8.318
  257    H    ARG  35           H        ARG  35   1.257  -0.648   4.813
  258    HA   ARG  35           HA       ARG  35   0.229  -1.213   2.242
  259   1HB   ARG  35          2HB       ARG  35   2.978  -0.751   3.347
  260   2HB   ARG  35          1HB       ARG  35   2.737  -1.187   1.665
  261   1HG   ARG  35          2HG       ARG  35   1.211   1.098   2.810
  262   2HG   ARG  35          1HG       ARG  35   2.906   1.312   2.371
  263   1HD   ARG  35          2HD       ARG  35   1.967   1.865   0.377
  264   2HD   ARG  35          1HD       ARG  35   2.069   0.120   0.146
  265    HE   ARG  35           HE       ARG  35  -0.382   0.621   1.333
  266   1HH1  ARG  35          1HH1      ARG  35   1.248   1.449  -1.641
  267   2HH1  ARG  35          2HH1      ARG  35  -0.217   1.564  -2.559
  268   1HH2  ARG  35          1HH2      ARG  35  -2.309   0.773   0.128
  269   2HH2  ARG  35          2HH2      ARG  35  -2.237   1.181  -1.554
  270    H    ASN  36           H        ASN  36   1.055  -3.274   4.702
  271    HA   ASN  36           HA       ASN  36   2.100  -5.392   3.009
  272   1HB   ASN  36          2HB       ASN  36   2.967  -4.982   5.335
  273   2HB   ASN  36          1HB       ASN  36   1.408  -5.522   5.949
  274   1HD2  ASN  36          1HD2      ASN  36   3.932  -6.575   3.689
  275   2HD2  ASN  36          2HD2      ASN  36   3.899  -8.236   4.160
  276    H    GLN  37           H        GLN  37  -0.911  -4.293   4.223
  277    HA   GLN  37           HA       GLN  37  -2.190  -6.747   3.229
  278   1HB   GLN  37          2HB       GLN  37  -2.947  -5.201   5.714
  279   2HB   GLN  37          1HB       GLN  37  -3.910  -6.493   5.012
  280   1HG   GLN  37          2HG       GLN  37  -2.760  -7.982   6.164
  281   2HG   GLN  37          1HG       GLN  37  -1.280  -7.476   5.350
  282   1HE2  GLN  37          1HE2      GLN  37  -0.242  -8.041   7.361
  283   2HE2  GLN  37          2HE2      GLN  37  -0.223  -6.903   8.661
  284    H    LYS  38           H        LYS  38  -4.042  -6.471   2.047
  285    HA   LYS  38           HA       LYS  38  -4.834  -3.682   1.518
  286   1HB   LYS  38          2HB       LYS  38  -5.369  -4.329  -0.749
  287   2HB   LYS  38          1HB       LYS  38  -3.714  -4.799  -0.389
  288   1HG   LYS  38          2HG       LYS  38  -4.150  -6.906  -0.903
  289   2HG   LYS  38          1HG       LYS  38  -5.479  -6.956   0.257
  290   1HD   LYS  38          2HD       LYS  38  -6.840  -7.179  -1.497
  291   2HD   LYS  38          1HD       LYS  38  -6.498  -5.486  -1.861
  292   1HE   LYS  38          2HE       LYS  38  -4.626  -6.169  -3.277
  293   2HE   LYS  38          1HE       LYS  38  -4.956  -7.860  -2.903
  294   1HZ   LYS  38          1HZ       LYS  38  -5.865  -6.980  -5.072
  295   2HZ   LYS  38          2HZ       LYS  38  -6.980  -6.099  -4.154
  296   3HZ   LYS  38          3HZ       LYS  38  -6.969  -7.789  -4.077
  297    H    CYS  39           H        CYS  39  -7.078  -3.346   0.908
  298    HA   CYS  39           HA       CYS  39  -8.848  -5.002   2.517
  299   1HB   CYS  39          2HB       CYS  39  -8.823  -2.448   2.561
  300   2HB   CYS  39          1HB       CYS  39  -9.603  -2.517   0.985
  301    H    CYS  40           H        CYS  40  -8.785  -6.856   1.100
  302    HA   CYS  40           HA       CYS  40  -9.628  -6.764  -1.593
  303   1HB   CYS  40          2HB       CYS  40  -8.799  -8.756   0.278
  304   2HB   CYS  40          1HB       CYS  40 -10.294  -9.296  -0.476
  305    H    GLU  41           H        GLU  41 -11.632  -8.063  -2.317
  306    HA   GLU  41           HA       GLU  41 -13.924  -6.661  -1.474
  307   1HB   GLU  41          2HB       GLU  41 -13.526  -7.746  -3.731
  308   2HB   GLU  41          1HB       GLU  41 -13.927  -9.279  -2.971
  309   1HG   GLU  41          2HG       GLU  41 -15.907  -8.588  -3.979
  310   2HG   GLU  41          1HG       GLU  41 -16.113  -8.177  -2.278
  311    H    TYR  42           H        TYR  42 -15.132  -6.942   0.265
  312    HA   TYR  42           HA       TYR  42 -14.841  -8.552   2.323
  313   1HB   TYR  42          2HB       TYR  42 -17.457  -8.421   2.537
  314   2HB   TYR  42          1HB       TYR  42 -16.469  -6.973   2.682
  315    HD1  TYR  42           1HD      TYR  42 -16.689  -5.186   1.140
  316    HD2  TYR  42           2HD      TYR  42 -18.642  -8.888   0.377
  317    HE1  TYR  42           1HE      TYR  42 -17.959  -4.133  -0.683
  318    HE2  TYR  42           2HE      TYR  42 -19.917  -7.846  -1.449
  319    HH   TYR  42           HH       TYR  42 -19.988  -4.453  -1.939