*HEADER    TRANSFERASE                             12-AUG-04   1WO4              
*TITLE     SOLUTION STRUCTURE OF MINIMAL MUTANT 2 (MM2): MULTIPLE                
*TITLE    2 ALANINE MUTANT OF NON-NATIVE CHANCE DOMAIN                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CREB BINDING PROTEIN;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: CBP;                                                       
*COMPND   5 EC: 2.3.1.48;                                                        
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED.               
*SOURCE   4 THIS SEQUENCE OF THE PEPTIDE IS NATURALLY IN HOMO SAPIENS            
*SOURCE   5 (HUMAN).                                                             
*KEYWDS    ZINC FINGER, PROTEIN DESIGN                                           
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    B.K.SHARPE, C.K.LIEW, J.A.WILCE, M.CROSSLEY, J.M.MATTHEWS,            
*AUTHOR   2 J.P.MACKAY                                                           
*REVDAT   1   08-MAR-05 1WO4    0                                                

remark input file: noe.cfm                                           
remark output file: pep3noe.tbl                                       
set echo=false end
set wrnlev=0 end
! range |i-j| =     0
assign (resid   2 and name HN    )(resid   2 and name HB    )  0.00  0.00  2.86
assign (resid   2 and name HN    )(resid   2 and name HG1*  )  0.00  0.00  4.26
assign (resid   2 and name HA    )(resid   2 and name HB    )  0.00  0.00  2.71
assign (resid   3 and name HN    )(resid   3 and name HA    )  0.00  0.00  2.86
assign (resid   3 and name HN    )(resid   3 and name HB2   )  0.00  0.00  3.58
assign (resid   3 and name HN    )(resid   3 and name HB1   )  0.00  0.00  3.58
assign (resid   3 and name HN    )(resid   3 and name HB*   )  0.00  0.00  3.36
assign (resid   5 and name HN    )(resid   5 and name HB2   )  0.00  0.00  3.21
assign (resid   5 and name HN    )(resid   5 and name HB1   )  0.00  0.00  3.21
assign (resid   7 and name HN    )(resid   7 and name HB2   )  0.00  0.00  3.55
assign (resid   7 and name HN    )(resid   7 and name HB1   )  0.00  0.00  3.55
assign (resid   7 and name HN    )(resid   7 and name HG    )  0.00  0.00  3.05
assign (resid   7 and name HN    )(resid   7 and name HD1*  )  0.00  0.00  5.69
assign (resid   7 and name HN    )(resid   7 and name HD2*  )  0.00  0.00  5.69
assign (resid   7 and name HN    )(resid   7 and name HD*   )  0.00  0.00  5.26
assign (resid   7 and name HA    )(resid   7 and name HG    )  0.00  0.00  3.61
assign (resid   7 and name HA    )(resid   7 and name HD1*  )  0.00  0.00  5.91
assign (resid   7 and name HA    )(resid   7 and name HD2*  )  0.00  0.00  5.91
assign (resid   8 and name HN    )(resid   8 and name HA    )  0.00  0.00  2.68
assign (resid   8 and name HN    )(resid   8 and name HB2   )  0.00  0.00  4.14
assign (resid   8 and name HN    )(resid   8 and name HB1   )  0.00  0.00  4.14
assign (resid   8 and name HN    )(resid   8 and name HB*   )  0.00  0.00  3.85
assign (resid   9 and name HA    )(resid   9 and name HD*   )  0.00  0.00  6.38
assign (resid  13 and name HN    )(resid  13 and name HA    )  0.00  0.00  2.93
assign (resid  14 and name HN    )(resid  14 and name HA    )  0.00  0.00  2.40
assign (resid  15 and name HN    )(resid  15 and name HB2   )  0.00  0.00  3.27
assign (resid  15 and name HN    )(resid  15 and name HB1   )  0.00  0.00  3.27
assign (resid  15 and name HN    )(resid  15 and name HD2*  )  0.00  0.00  6.37
assign (resid  15 and name HA    )(resid  15 and name HD21  )  0.00  0.00  5.31
assign (resid  15 and name HA    )(resid  15 and name HD22  )  0.00  0.00  5.31
assign (resid  15 and name HA    )(resid  15 and name HD2*  )  0.00  0.00  4.86
assign (resid  16 and name HN    )(resid  16 and name HB    )  0.00  0.00  2.62
assign (resid  16 and name HN    )(resid  16 and name HG1*  )  0.00  0.00  4.76
assign (resid  16 and name HN    )(resid  16 and name HG2*  )  0.00  0.00  3.83
assign (resid  17 and name HN    )(resid  17 and name HA    )  0.00  0.00  2.77
assign (resid  19 and name HN    )(resid  19 and name HB2   )  0.00  0.00  3.15
assign (resid  19 and name HN    )(resid  19 and name HB1   )  0.00  0.00  3.12
assign (resid  19 and name HN    )(resid  19 and name HD2   )  0.00  0.00  4.63
assign (resid  19 and name HA    )(resid  19 and name HD2   )  0.00  0.00  5.28
assign (resid  19 and name HB2   )(resid  19 and name HD2   )  0.00  0.00  3.98
assign (resid  19 and name HB1   )(resid  19 and name HD2   )  0.00  0.00  3.52
assign (resid  20 and name HN    )(resid  20 and name HB2   )  0.00  0.00  3.83
assign (resid  20 and name HN    )(resid  20 and name HB1   )  0.00  0.00  3.83
assign (resid  20 and name HN    )(resid  20 and name HB*   )  0.00  0.00  3.47
assign (resid  20 and name HN    )(resid  20 and name HG*   )  0.00  0.00  4.21
assign (resid  21 and name HN    )(resid  21 and name HA    )  0.00  0.00  2.86
assign (resid  21 and name HN    )(resid  21 and name HB    )  0.00  0.00  3.14
assign (resid  21 and name HN    )(resid  21 and name HG2*  )  0.00  0.00  3.77
assign (resid  21 and name HA    )(resid  21 and name HB    )  0.00  0.00  2.80
assign (resid  21 and name HA    )(resid  21 and name HG2*  )  0.00  0.00  3.64
assign (resid  22 and name HN    )(resid  22 and name HB2   )  0.00  0.00  4.05
assign (resid  22 and name HN    )(resid  22 and name HB1   )  0.00  0.00  4.05
assign (resid  22 and name HN    )(resid  22 and name HB*   )  0.00  0.00  3.87
assign (resid  22 and name HN    )(resid  22 and name HD2   )  0.00  0.00  4.35
assign (resid  22 and name HA    )(resid  22 and name HB2   )  0.00  0.00  3.02
assign (resid  22 and name HA    )(resid  22 and name HB1   )  0.00  0.00  3.02
assign (resid  22 and name HA    )(resid  22 and name HD2   )  0.00  0.00  5.07
assign (resid  23 and name HN    )(resid  23 and name HB2   )  0.00  0.00  3.30
assign (resid  23 and name HN    )(resid  23 and name HB1   )  0.00  0.00  3.46
assign (resid  25 and name HN    )(resid  25 and name HA    )  0.00  0.00  2.90
! total in this range:     60
! range |i-j| =     1
assign (resid   1 and name HA    )(resid   2 and name HN    )  0.00  0.00  2.83
assign (resid   1 and name HA    )(resid   2 and name HB    )  0.00  0.00  4.14
assign (resid   1 and name HA    )(resid   2 and name HG1*  )  0.00  0.00  6.53
assign (resid   2 and name HN    )(resid   3 and name HN    )  0.00  0.00  3.67
assign (resid   2 and name HB    )(resid   3 and name HN    )  0.00  0.00  4.11
assign (resid   2 and name HG1*  )(resid   3 and name HN    )  0.00  0.00  3.99
assign (resid   2 and name HG1*  )(resid   3 and name HB2   )  0.00  0.00  7.03
assign (resid   2 and name HG1*  )(resid   3 and name HB1   )  0.00  0.00  7.03
assign (resid   2 and name HG1*  )(resid   3 and name HB*   )  0.00  0.00  6.87
assign (resid   2 and name HG2*  )(resid   3 and name HN    )  0.00  0.00  6.03
assign (resid   3 and name HN    )(resid   4 and name HN    )  0.00  0.00  3.08
assign (resid   3 and name HB2   )(resid   4 and name HN    )  0.00  0.00  5.66
assign (resid   3 and name HB1   )(resid   4 and name HN    )  0.00  0.00  5.66
assign (resid   4 and name HA    )(resid   5 and name HN    )  0.00  0.00  3.21
assign (resid   6 and name HA    )(resid   7 and name HN    )  0.00  0.00  3.52
assign (resid   7 and name HA    )(resid   8 and name HN    )  0.00  0.00  3.05
assign (resid   7 and name HB*   )(resid   8 and name HN    )  0.00  0.00  5.58
assign (resid   7 and name HG    )(resid   8 and name HN    )  0.00  0.00  5.50
assign (resid   7 and name HD*   )(resid   8 and name HN    )  0.00  0.00  8.10
assign (resid  12 and name HN    )(resid  13 and name HN    )  0.00  0.00  3.08
assign (resid  12 and name HA    )(resid  13 and name HN    )  0.00  0.00  3.39
assign (resid  13 and name HN    )(resid  14 and name HN    )  0.00  0.00  2.68
assign (resid  13 and name HA    )(resid  14 and name HN    )  0.00  0.00  3.55
assign (resid  13 and name HB*   )(resid  14 and name HA    )  0.00  0.00  6.75
assign (resid  14 and name HN    )(resid  15 and name HN    )  0.00  0.00  3.11
assign (resid  14 and name HA    )(resid  15 and name HN    )  0.00  0.00  2.90
assign (resid  15 and name HA    )(resid  16 and name HN    )  0.00  0.00  2.40
assign (resid  15 and name HA    )(resid  16 and name HG1*  )  0.00  0.00  6.53
assign (resid  15 and name HA    )(resid  16 and name HG2*  )  0.00  0.00  4.95
assign (resid  15 and name HB2   )(resid  16 and name HN    )  0.00  0.00  4.64
assign (resid  15 and name HB1   )(resid  16 and name HN    )  0.00  0.00  4.64
assign (resid  15 and name HB*   )(resid  16 and name HN    )  0.00  0.00  4.31
assign (resid  16 and name HN    )(resid  17 and name HN    )  0.00  0.00  2.99
assign (resid  16 and name HA    )(resid  17 and name HN    )  0.00  0.00  3.55
assign (resid  16 and name HB    )(resid  17 and name HN    )  0.00  0.00  2.74
assign (resid  16 and name HG1*  )(resid  17 and name HN    )  0.00  0.00  4.76
assign (resid  16 and name HG2*  )(resid  17 and name HN    )  0.00  0.00  4.98
assign (resid  17 and name HN    )(resid  18 and name HN    )  0.00  0.00  2.80
assign (resid  19 and name HN    )(resid  20 and name HN    )  0.00  0.00  2.77
assign (resid  19 and name HN    )(resid  20 and name HB*   )  0.00  0.00  5.24
assign (resid  19 and name HN    )(resid  20 and name HG*   )  0.00  0.00  6.38
assign (resid  19 and name HB2   )(resid  20 and name HN    )  0.00  0.00  3.86
assign (resid  19 and name HB1   )(resid  20 and name HN    )  0.00  0.00  3.58
assign (resid  19 and name HD2   )(resid  20 and name HN    )  0.00  0.00  4.69
assign (resid  19 and name HD2   )(resid  20 and name HA    )  0.00  0.00  4.23
assign (resid  19 and name HD2   )(resid  20 and name HB2   )  0.00  0.00  6.00
assign (resid  19 and name HD2   )(resid  20 and name HB1   )  0.00  0.00  6.00
assign (resid  19 and name HD2   )(resid  20 and name HB*   )  0.00  0.00  5.78
assign (resid  19 and name HD2   )(resid  20 and name HG*   )  0.00  0.00  6.22
assign (resid  19 and name HE1   )(resid  20 and name HA    )  0.00  0.00  5.50
assign (resid  20 and name HN    )(resid  21 and name HN    )  0.00  0.00  3.02
assign (resid  20 and name HB2   )(resid  21 and name HN    )  0.00  0.00  4.67
assign (resid  20 and name HB1   )(resid  21 and name HN    )  0.00  0.00  4.67
assign (resid  20 and name HB*   )(resid  21 and name HN    )  0.00  0.00  4.30
assign (resid  20 and name HG*   )(resid  21 and name HN    )  0.00  0.00  6.38
assign (resid  21 and name HN    )(resid  22 and name HN    )  0.00  0.00  2.86
assign (resid  21 and name HA    )(resid  22 and name HN    )  0.00  0.00  3.48
assign (resid  21 and name HB    )(resid  22 and name HN    )  0.00  0.00  3.70
assign (resid  21 and name HG2*  )(resid  22 and name HN    )  0.00  0.00  5.57
assign (resid  22 and name HN    )(resid  23 and name HN    )  0.00  0.00  2.46
assign (resid  22 and name HA    )(resid  23 and name HN    )  0.00  0.00  3.33
assign (resid  22 and name HB2   )(resid  23 and name HN    )  0.00  0.00  4.82
assign (resid  22 and name HB1   )(resid  23 and name HN    )  0.00  0.00  4.82
assign (resid  22 and name HB*   )(resid  23 and name HN    )  0.00  0.00  4.53
assign (resid  22 and name HD2   )(resid  23 and name HN    )  0.00  0.00  4.20
assign (resid  22 and name HD2   )(resid  23 and name HA    )  0.00  0.00  3.92
assign (resid  22 and name HD2   )(resid  23 and name HB2   )  0.00  0.00  4.05
assign (resid  22 and name HD2   )(resid  23 and name HB1   )  0.00  0.00  4.64
assign (resid  23 and name HN    )(resid  24 and name HN    )  0.00  0.00  4.29
assign (resid  23 and name HA    )(resid  24 and name HN    )  0.00  0.00  2.77
assign (resid  23 and name HB2   )(resid  24 and name HN    )  0.00  0.00  4.51
assign (resid  23 and name HB1   )(resid  24 and name HN    )  0.00  0.00  4.88
assign (resid  24 and name HN    )(resid  25 and name HN    )  0.00  0.00  3.33
assign (resid  24 and name HA    )(resid  25 and name HN    )  0.00  0.00  2.86
! total in this range:     74
! range |i-j| =     2
assign (resid   1 and name HB*   )(resid   3 and name HN    )  0.00  0.00  4.86
assign (resid   3 and name HN    )(resid   5 and name HN    )  0.00  0.00  3.83
assign (resid   5 and name HA    )(resid   7 and name HN    )  0.00  0.00  3.89
assign (resid   5 and name HB2   )(resid   7 and name HN    )  0.00  0.00  4.79
assign (resid   5 and name HB1   )(resid   7 and name HN    )  0.00  0.00  4.79
assign (resid   5 and name HB*   )(resid   7 and name HN    )  0.00  0.00  4.54
assign (resid  13 and name HN    )(resid  15 and name HN    )  0.00  0.00  5.04
assign (resid  13 and name HA    )(resid  15 and name HN    )  0.00  0.00  4.94
assign (resid  13 and name HB*   )(resid  15 and name HN    )  0.00  0.00  4.95
assign (resid  13 and name HB*   )(resid  15 and name HA    )  0.00  0.00  7.03
assign (resid  13 and name HB*   )(resid  15 and name HB2   )  0.00  0.00  5.63
assign (resid  13 and name HB*   )(resid  15 and name HB1   )  0.00  0.00  5.63
assign (resid  13 and name HB*   )(resid  15 and name HB*   )  0.00  0.00  5.38
assign (resid  13 and name HB*   )(resid  15 and name HD2*  )  0.00  0.00  7.90
assign (resid  15 and name HA    )(resid  17 and name HN    )  0.00  0.00  3.64
assign (resid  15 and name HB*   )(resid  17 and name HN    )  0.00  0.00  6.04
assign (resid  16 and name HA    )(resid  18 and name HN    )  0.00  0.00  4.32
assign (resid  16 and name HB    )(resid  18 and name HN    )  0.00  0.00  5.04
assign (resid  16 and name HG1*  )(resid  18 and name HN    )  0.00  0.00  6.53
assign (resid  17 and name HN    )(resid  19 and name HN    )  0.00  0.00  3.98
assign (resid  17 and name HA    )(resid  19 and name HN    )  0.00  0.00  4.17
assign (resid  19 and name HA    )(resid  21 and name HN    )  0.00  0.00  4.20
assign (resid  19 and name HB2   )(resid  21 and name HN    )  0.00  0.00  6.00
assign (resid  20 and name HN    )(resid  22 and name HN    )  0.00  0.00  4.54
assign (resid  20 and name HA    )(resid  22 and name HN    )  0.00  0.00  3.39
assign (resid  20 and name HA    )(resid  22 and name HD2   )  0.00  0.00  5.50
assign (resid  20 and name HG*   )(resid  22 and name HD2   )  0.00  0.00  6.38
assign (resid  21 and name HA    )(resid  23 and name HN    )  0.00  0.00  4.57
assign (resid  23 and name HA    )(resid  25 and name HN    )  0.00  0.00  4.14
! total in this range:     29
! range |i-j| =     3
assign (resid   2 and name HA    )(resid   5 and name HN    )  0.00  0.00  3.33
assign (resid   2 and name HA    )(resid   5 and name HA    )  0.00  0.00  4.20
assign (resid   2 and name HA    )(resid   5 and name HB2   )  0.00  0.00  3.71
assign (resid   2 and name HA    )(resid   5 and name HB1   )  0.00  0.00  3.71
assign (resid   2 and name HA    )(resid   5 and name HB*   )  0.00  0.00  3.45
assign (resid   2 and name HG2*  )(resid   5 and name HN    )  0.00  0.00  6.53
assign (resid   2 and name HG2*  )(resid   5 and name HB2   )  0.00  0.00  6.93
assign (resid   2 and name HG2*  )(resid   5 and name HB1   )  0.00  0.00  6.93
assign (resid   2 and name HG2*  )(resid   5 and name HB*   )  0.00  0.00  6.60
assign (resid   7 and name HN    )(resid  10 and name HB*   )  0.00  0.00  6.10
assign (resid   7 and name HD1*  )(resid  10 and name HB2   )  0.00  0.00  8.78
assign (resid   7 and name HD1*  )(resid  10 and name HB1   )  0.00  0.00  8.78
assign (resid   7 and name HD2*  )(resid  10 and name HB2   )  0.00  0.00  8.78
assign (resid   7 and name HD2*  )(resid  10 and name HB1   )  0.00  0.00  8.78
assign (resid   7 and name HD*   )(resid  10 and name HB*   )  0.00  0.00  7.05
assign (resid  15 and name HN    )(resid  18 and name HB*   )  0.00  0.00  6.31
assign (resid  15 and name HB2   )(resid  18 and name HN    )  0.00  0.00  5.10
assign (resid  15 and name HB2   )(resid  18 and name HB*   )  0.00  0.00  5.20
assign (resid  15 and name HB1   )(resid  18 and name HN    )  0.00  0.00  5.10
assign (resid  15 and name HB1   )(resid  18 and name HB*   )  0.00  0.00  5.20
assign (resid  15 and name HB*   )(resid  18 and name HN    )  0.00  0.00  4.60
assign (resid  15 and name HB*   )(resid  18 and name HB*   )  0.00  0.00  4.91
assign (resid  16 and name HA    )(resid  19 and name HN    )  0.00  0.00  3.24
assign (resid  16 and name HA    )(resid  19 and name HB2   )  0.00  0.00  3.58
assign (resid  16 and name HA    )(resid  19 and name HB1   )  0.00  0.00  3.30
assign (resid  16 and name HA    )(resid  19 and name HD2   )  0.00  0.00  4.48
assign (resid  16 and name HG1*  )(resid  19 and name HN    )  0.00  0.00  6.53
assign (resid  16 and name HG1*  )(resid  19 and name HB2   )  0.00  0.00  7.03
assign (resid  16 and name HG1*  )(resid  19 and name HB1   )  0.00  0.00  7.03
assign (resid  16 and name HG1*  )(resid  19 and name HD2   )  0.00  0.00  5.78
assign (resid  16 and name HG2*  )(resid  19 and name HN    )  0.00  0.00  6.53
assign (resid  16 and name HG2*  )(resid  19 and name HB2   )  0.00  0.00  7.03
assign (resid  16 and name HG2*  )(resid  19 and name HB1   )  0.00  0.00  7.03
assign (resid  16 and name HG2*  )(resid  19 and name HD2   )  0.00  0.00  6.53
assign (resid  17 and name HA    )(resid  20 and name HN    )  0.00  0.00  3.39
assign (resid  17 and name HA    )(resid  20 and name HB2   )  0.00  0.00  3.89
assign (resid  17 and name HA    )(resid  20 and name HB1   )  0.00  0.00  3.89
assign (resid  17 and name HA    )(resid  20 and name HB*   )  0.00  0.00  3.63
assign (resid  17 and name HA    )(resid  20 and name HG*   )  0.00  0.00  5.73
assign (resid  17 and name HB*   )(resid  20 and name HN    )  0.00  0.00  5.97
assign (resid  19 and name HA    )(resid  22 and name HN    )  0.00  0.00  4.07
assign (resid  19 and name HA    )(resid  22 and name HD2   )  0.00  0.00  5.13
assign (resid  19 and name HA    )(resid  22 and name HE1   )  0.00  0.00  2.96
assign (resid  19 and name HB2   )(resid  22 and name HE1   )  0.00  0.00  6.00
assign (resid  19 and name HB1   )(resid  22 and name HE1   )  0.00  0.00  6.00
!assign (resid  19 and name HE1   )(resid  22 and name HD2   )  0.00  0.00  3.64
assign (resid  20 and name HN    )(resid  23 and name HN    )  0.00  0.00  4.29
assign (resid  20 and name HA    )(resid  23 and name HN    )  0.00  0.00  3.05
assign (resid  20 and name HA    )(resid  23 and name HB2   )  0.00  0.00  3.40
assign (resid  20 and name HA    )(resid  23 and name HB1   )  0.00  0.00  3.52
assign (resid  20 and name HB2   )(resid  23 and name HN    )  0.00  0.00  4.73
assign (resid  20 and name HB1   )(resid  23 and name HN    )  0.00  0.00  4.73
assign (resid  20 and name HB*   )(resid  23 and name HN    )  0.00  0.00  4.37
! total in this range:     53
! range |i-j| =     4
assign (resid  16 and name HA    )(resid  20 and name HN    )  0.00  0.00  3.89
assign (resid  16 and name HG1*  )(resid  20 and name HN    )  0.00  0.00  6.53
assign (resid  16 and name HG1*  )(resid  20 and name HB*   )  0.00  0.00  7.91
assign (resid  16 and name HG1*  )(resid  20 and name HG*   )  0.00  0.00  5.73
assign (resid  19 and name HA    )(resid  23 and name HN    )  0.00  0.00  5.50
assign (resid  19 and name HD2   )(resid  23 and name HB2   )  0.00  0.00  3.71
assign (resid  19 and name HD2   )(resid  23 and name HB1   )  0.00  0.00  4.88
assign (resid  19 and name HE1   )(resid  23 and name HA    )  0.00  0.00  5.07
assign (resid  19 and name HE1   )(resid  23 and name HB2   )  0.00  0.00  5.38
assign (resid  19 and name HE1   )(resid  23 and name HB1   )  0.00  0.00  5.04
! total in this range:     11
! range |i-j| =     5
! total in this range:      1
! range |i-j| =     9
! total in this range:      1
! range |i-j| =    12
assign (resid   2 and name HG1*  )(resid  14 and name HN    )  0.00  0.00  5.69
assign (resid   2 and name HG1*  )(resid  14 and name HA    )  0.00  0.00  4.36
assign (resid   2 and name HG2*  )(resid  14 and name HN    )  0.00  0.00  4.48
assign (resid   2 and name HG2*  )(resid  14 and name HA    )  0.00  0.00  3.80
assign (resid  10 and name HB2   )(resid  22 and name HE1   )  0.00  0.00  5.97
assign (resid  10 and name HB1   )(resid  22 and name HE1   )  0.00  0.00  5.97
assign (resid  10 and name HB*   )(resid  22 and name HN    )  0.00  0.00  6.26
assign (resid  10 and name HB*   )(resid  22 and name HE1   )  0.00  0.00  5.34
! total in this range:      8
! range |i-j| =    13
assign (resid   2 and name HG1*  )(resid  15 and name HN    )  0.00  0.00  6.47
assign (resid   2 and name HG1*  )(resid  15 and name HA    )  0.00  0.00  6.53
assign (resid   2 and name HG2*  )(resid  15 and name HN    )  0.00  0.00  4.51
assign (resid   2 and name HG2*  )(resid  15 and name HA    )  0.00  0.00  6.53
! total in this range:      5
! range |i-j| =    14
assign (resid   2 and name HN    )(resid  16 and name HA    )  0.00  0.00  5.50
assign (resid   2 and name HN    )(resid  16 and name HG2*  )  0.00  0.00  6.53
assign (resid   2 and name HB    )(resid  16 and name HA    )  0.00  0.00  3.79
assign (resid   2 and name HB    )(resid  16 and name HG1*  )  0.00  0.00  6.34
assign (resid   2 and name HB    )(resid  16 and name HG2*  )  0.00  0.00  5.38
assign (resid   2 and name HG1*  )(resid  16 and name HN    )  0.00  0.00  6.53
assign (resid   2 and name HG1*  )(resid  16 and name HA    )  0.00  0.00  5.19
assign (resid   2 and name HG1*  )(resid  16 and name HB    )  0.00  0.00  6.53
assign (resid   2 and name HG1*  )(resid  16 and name HG2*  )  0.00  0.00  6.16
assign (resid   2 and name HG2*  )(resid  16 and name HN    )  0.00  0.00  6.53
assign (resid   2 and name HG2*  )(resid  16 and name HA    )  0.00  0.00  5.29
assign (resid   5 and name HN    )(resid  19 and name HE1   )  0.00  0.00  4.66
assign (resid   5 and name HA    )(resid  19 and name HE1   )  0.00  0.00  3.17
assign (resid   5 and name HB2   )(resid  19 and name HE1   )  0.00  0.00  3.71
assign (resid   5 and name HB1   )(resid  19 and name HE1   )  0.00  0.00  3.71
assign (resid   5 and name HB*   )(resid  19 and name HD2   )  0.00  0.00  6.88
assign (resid   5 and name HB*   )(resid  19 and name HE1   )  0.00  0.00  3.41
! total in this range:     18
! range |i-j| =    15
assign (resid   7 and name HB*   )(resid  22 and name HD2   )  0.00  0.00  6.88
assign (resid   7 and name HG    )(resid  22 and name HD2   )  0.00  0.00  5.50
assign (resid   7 and name HD1*  )(resid  22 and name HB2   )  0.00  0.00 10.17
assign (resid   7 and name HD1*  )(resid  22 and name HB1   )  0.00  0.00 10.17
assign (resid   7 and name HD1*  )(resid  22 and name HE1   )  0.00  0.00  6.31
assign (resid   7 and name HD2*  )(resid  22 and name HB2   )  0.00  0.00 10.17
assign (resid   7 and name HD2*  )(resid  22 and name HB1   )  0.00  0.00 10.17
assign (resid   7 and name HD2*  )(resid  22 and name HE1   )  0.00  0.00  6.31
assign (resid   7 and name HD*   )(resid  22 and name HB*   )  0.00  0.00  8.55
assign (resid   7 and name HD*   )(resid  22 and name HD2   )  0.00  0.00  7.11
assign (resid   7 and name HD*   )(resid  22 and name HE1   )  0.00  0.00  5.31
! total in this range:     11
! range |i-j| =    17
assign (resid   2 and name HN    )(resid  19 and name HB2   )  0.00  0.00  6.00
assign (resid   2 and name HN    )(resid  19 and name HB1   )  0.00  0.00  6.00
assign (resid   2 and name HN    )(resid  19 and name HD2   )  0.00  0.00  3.95
assign (resid   2 and name HA    )(resid  19 and name HB2   )  0.00  0.00  5.32
assign (resid   2 and name HA    )(resid  19 and name HB1   )  0.00  0.00  5.35
assign (resid   2 and name HA    )(resid  19 and name HE1   )  0.00  0.00  4.38
assign (resid   2 and name HB    )(resid  19 and name HN    )  0.00  0.00  5.07
assign (resid   2 and name HB    )(resid  19 and name HA    )  0.00  0.00  5.50
assign (resid   2 and name HB    )(resid  19 and name HB1   )  0.00  0.00  4.02
assign (resid   2 and name HB    )(resid  19 and name HD2   )  0.00  0.00  3.39
assign (resid   2 and name HB    )(resid  19 and name HE1   )  0.00  0.00  5.50
assign (resid   2 and name HG1*  )(resid  19 and name HN    )  0.00  0.00  6.53
assign (resid   2 and name HG1*  )(resid  19 and name HB2   )  0.00  0.00  7.03
assign (resid   2 and name HG1*  )(resid  19 and name HB1   )  0.00  0.00  7.03
assign (resid   2 and name HG1*  )(resid  19 and name HD2   )  0.00  0.00  5.75
assign (resid   2 and name HG2*  )(resid  19 and name HN    )  0.00  0.00  5.69
assign (resid   2 and name HG2*  )(resid  19 and name HA    )  0.00  0.00  6.19
assign (resid   2 and name HG2*  )(resid  19 and name HB2   )  0.00  0.00  4.58
assign (resid   2 and name HG2*  )(resid  19 and name HB1   )  0.00  0.00  5.01
assign (resid   2 and name HG2*  )(resid  19 and name HD2   )  0.00  0.00  5.44
assign (resid   2 and name HG2*  )(resid  19 and name HE1   )  0.00  0.00  6.43
assign (resid   5 and name HB*   )(resid  22 and name HD2   )  0.00  0.00  6.88
! total in this range:     22
! range |i-j| =    18
assign (resid   1 and name HA    )(resid  19 and name HD2   )  0.00  0.00  4.38
assign (resid   1 and name HB*   )(resid  19 and name HD2   )  0.00  0.00  7.03
assign (resid   2 and name HB    )(resid  20 and name HN    )  0.00  0.00  5.50
! total in this range:      4
! total constraints:      297
set echo=true end
set wrnlev=5 end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          1HT       ALA   1  -0.782   3.842   2.670
    2   2H    ALA   1          2HT       ALA   1  -1.507   4.780   3.912
    3   3H    ALA   1          3HT       ALA   1  -2.427   4.306   2.542
    4    HA   ALA   1           HA       ALA   1  -1.173   2.306   4.262
    5   1HB   ALA   1          1HB       ALA   1  -2.480   3.894   5.683
    6   2HB   ALA   1          2HB       ALA   1  -3.087   2.238   5.687
    7   3HB   ALA   1          3HB       ALA   1  -3.909   3.477   4.738
    8    H    VAL   2           H        VAL   2  -1.556   0.381   3.527
    9    HA   VAL   2           HA       VAL   2  -2.710  -0.146   1.067
   10    HB   VAL   2           HB       VAL   2  -1.096  -1.555   2.424
   11   1HG1  VAL   2          1HG1      VAL   2  -3.447  -3.049   3.470
   12   2HG1  VAL   2          2HG1      VAL   2  -2.890  -1.625   4.349
   13   3HG1  VAL   2          3HG1      VAL   2  -1.792  -2.977   4.074
   14   1HG2  VAL   2          1HG2      VAL   2  -2.068  -3.720   1.473
   15   2HG2  VAL   2          2HG2      VAL   2  -1.762  -2.403   0.340
   16   3HG2  VAL   2          3HG2      VAL   2  -3.404  -2.723   0.897
   17    H    SER   3           H        SER   3  -4.210   0.188   4.164
   18    HA   SER   3           HA       SER   3  -6.588  -1.273   3.599
   19   1HB   SER   3          2HB       SER   3  -5.565  -0.344   5.883
   20   2HB   SER   3          1HB       SER   3  -6.641   1.004   5.524
   21    HG   SER   3           HG       SER   3  -8.349  -0.541   5.363
   22    H    ALA   4           H        ALA   4  -5.524   2.020   3.106
   23    HA   ALA   4           HA       ALA   4  -8.108   2.647   1.840
   24   1HB   ALA   4          1HB       ALA   4  -6.255   4.850   2.509
   25   2HB   ALA   4          2HB       ALA   4  -7.014   4.016   3.865
   26   3HB   ALA   4          3HB       ALA   4  -8.012   4.770   2.622
   27    H    CYS   5           H        CYS   5  -5.619   1.296   0.756
   28    HA   CYS   5           HA       CYS   5  -4.130   2.865  -0.935
   29   1HB   CYS   5          2HB       CYS   5  -3.656   0.515  -0.675
   30   2HB   CYS   5          1HB       CYS   5  -5.207   0.077  -1.382
   31    H    ALA   6           H        ALA   6  -4.434   3.935  -2.796
   32    HA   ALA   6           HA       ALA   6  -7.116   4.386  -3.703
   33   1HB   ALA   6          1HB       ALA   6  -6.277   6.161  -4.900
   34   2HB   ALA   6          2HB       ALA   6  -4.731   5.368  -5.200
   35   3HB   ALA   6          3HB       ALA   6  -5.090   6.025  -3.603
   36    H    LEU   7           H        LEU   7  -4.367   2.520  -4.826
   37    HA   LEU   7           HA       LEU   7  -5.814   1.836  -7.276
   38   1HB   LEU   7          2HB       LEU   7  -3.652   0.763  -7.938
   39   2HB   LEU   7          1HB       LEU   7  -3.597   2.501  -7.746
   40    HG   LEU   7           HG       LEU   7  -2.771   1.793  -5.300
   41   1HD1  LEU   7          1HD1      LEU   7  -2.483  -0.602  -6.972
   42   2HD1  LEU   7          2HD1      LEU   7  -2.538  -0.437  -5.217
   43   3HD1  LEU   7          3HD1      LEU   7  -1.035  -0.128  -6.085
   44   1HD2  LEU   7          1HD2      LEU   7  -1.466   3.277  -6.524
   45   2HD2  LEU   7          2HD2      LEU   7  -1.250   2.140  -7.855
   46   3HD2  LEU   7          3HD2      LEU   7  -0.410   1.877  -6.327
   47    H    SER   8           H        SER   8  -5.086  -0.593  -7.935
   48    HA   SER   8           HA       SER   8  -6.697  -2.316  -6.570
   49   1HB   SER   8          2HB       SER   8  -4.377  -2.697  -8.398
   50   2HB   SER   8          1HB       SER   8  -4.986  -4.111  -7.537
   51    HG   SER   8           HG       SER   8  -6.377  -4.151  -9.118
   52    H    LYS   9           H        LYS   9  -5.886  -4.452  -5.524
   53    HA   LYS   9           HA       LYS   9  -4.943  -3.904  -2.981
   54   1HB   LYS   9          2HB       LYS   9  -6.031  -6.070  -4.133
   55   2HB   LYS   9          1HB       LYS   9  -4.355  -6.598  -4.081
   56   1HG   LYS   9          2HG       LYS   9  -4.301  -6.232  -1.673
   57   2HG   LYS   9          1HG       LYS   9  -5.974  -5.673  -1.716
   58   1HD   LYS   9          2HD       LYS   9  -6.206  -8.067  -2.962
   59   2HD   LYS   9          1HD       LYS   9  -4.882  -8.404  -1.844
   60   1HE   LYS   9          2HE       LYS   9  -6.210  -8.255  -0.022
   61   2HE   LYS   9          1HE       LYS   9  -7.177  -6.949  -0.705
   62   1HZ   LYS   9          1HZ       LYS   9  -8.360  -9.114  -0.381
   63   2HZ   LYS   9          2HZ       LYS   9  -7.399  -9.761  -1.614
   64   3HZ   LYS   9          3HZ       LYS   9  -8.451  -8.480  -1.947
   65    H    CYS  10           H        CYS  10  -2.987  -3.858  -2.000
   66    HA   CYS  10           HA       CYS  10  -0.626  -4.194  -3.731
   67   1HB   CYS  10          2HB       CYS  10  -1.281  -2.187  -1.610
   68   2HB   CYS  10          1HB       CYS  10   0.402  -2.609  -1.904
   69    H    ALA  11           H        ALA  11   1.337  -4.931  -2.684
   70    HA   ALA  11           HA       ALA  11   2.515  -6.422  -1.432
   71   1HB   ALA  11          1HB       ALA  11   2.045  -4.805   0.354
   72   2HB   ALA  11          2HB       ALA  11   2.117  -6.458   0.965
   73   3HB   ALA  11          3HB       ALA  11   0.556  -5.670   0.735
   74    H    ALA  12           H        ALA  12   2.436  -8.556  -0.409
   75    HA   ALA  12           HA       ALA  12  -0.054  -9.990  -1.077
   76   1HB   ALA  12          1HB       ALA  12   2.813 -10.730  -1.501
   77   2HB   ALA  12          2HB       ALA  12   1.459 -10.799  -2.629
   78   3HB   ALA  12          3HB       ALA  12   1.585 -11.985  -1.330
   79    H    ALA  13           H        ALA  13   0.687  -8.770   1.483
   80    HA   ALA  13           HA       ALA  13  -0.087 -10.851   3.206
   81   1HB   ALA  13          1HB       ALA  13   2.650 -10.102   4.008
   82   2HB   ALA  13          2HB       ALA  13   2.517 -11.174   2.614
   83   3HB   ALA  13          3HB       ALA  13   1.801 -11.641   4.158
   84    H    ALA  14           H        ALA  14  -0.803  -8.147   2.659
   85    HA   ALA  14           HA       ALA  14  -1.490  -6.282   3.766
   86   1HB   ALA  14          1HB       ALA  14  -1.126  -6.528   6.410
   87   2HB   ALA  14          2HB       ALA  14  -1.022  -8.224   5.941
   88   3HB   ALA  14          3HB       ALA  14  -2.461  -7.286   5.544
   89    H    ASN  15           H        ASN  15   1.240  -6.505   2.806
   90    HA   ASN  15           HA       ASN  15   2.931  -5.196   4.737
   91   1HB   ASN  15          2HB       ASN  15   3.614  -6.788   2.783
   92   2HB   ASN  15          1HB       ASN  15   3.541  -5.328   1.801
   93   1HD2  ASN  15          1HD2      ASN  15   5.364  -7.162   3.986
   94   2HD2  ASN  15          2HD2      ASN  15   6.681  -6.062   4.185
   95    H    VAL  16           H        VAL  16   1.556  -3.371   5.175
   96    HA   VAL  16           HA       VAL  16   0.688  -1.509   3.297
   97    HB   VAL  16           HB       VAL  16   1.546  -0.926   6.135
   98   1HG1  VAL  16          1HG1      VAL  16   1.081   1.180   5.555
   99   2HG1  VAL  16          2HG1      VAL  16  -0.609   0.677   5.512
  100   3HG1  VAL  16          3HG1      VAL  16   0.346   0.686   4.030
  101   1HG2  VAL  16          1HG2      VAL  16  -0.358  -1.832   6.919
  102   2HG2  VAL  16          2HG2      VAL  16  -0.325  -2.754   5.416
  103   3HG2  VAL  16          3HG2      VAL  16  -1.306  -1.294   5.532
  104    H    ALA  17           H        ALA  17   3.753  -1.658   5.081
  105    HA   ALA  17           HA       ALA  17   4.823   0.769   4.246
  106   1HB   ALA  17          1HB       ALA  17   5.924  -1.767   5.284
  107   2HB   ALA  17          2HB       ALA  17   6.184  -0.109   5.828
  108   3HB   ALA  17          3HB       ALA  17   7.054  -0.723   4.422
  109    H    ALA  18           H        ALA  18   4.907  -2.405   2.679
  110    HA   ALA  18           HA       ALA  18   6.553  -1.652   0.507
  111   1HB   ALA  18          1HB       ALA  18   5.512  -3.645  -0.629
  112   2HB   ALA  18          2HB       ALA  18   4.499  -3.838   0.803
  113   3HB   ALA  18          3HB       ALA  18   6.253  -3.975   0.937
  114    H    HIS  19           H        HIS  19   3.178  -1.298   1.211
  115    HA   HIS  19           HA       HIS  19   2.354  -0.592  -1.434
  116   1HB   HIS  19          2HB       HIS  19   0.539  -1.361  -0.284
  117   2HB   HIS  19          1HB       HIS  19   1.129  -0.770   1.259
  118    HD2  HIS  19           2HD      HIS  19   0.124   1.599   2.086
  119    HE1  HIS  19           1HE      HIS  19  -2.242   2.345  -1.323
  120    HE2  HIS  19           2HE      HIS  19  -1.607   3.168   0.985
  121    H    MET  20           H        MET  20   2.651   1.312   1.587
  122    HA   MET  20           HA       MET  20   2.225   3.791   0.365
  123   1HB   MET  20          2HB       MET  20   2.219   3.210   2.848
  124   2HB   MET  20          1HB       MET  20   3.962   3.428   2.785
  125   1HG   MET  20          2HG       MET  20   3.091   5.704   1.589
  126   2HG   MET  20          1HG       MET  20   1.806   5.407   2.760
  127   1HE   MET  20          1HE       MET  20   3.074   8.121   3.666
  128   2HE   MET  20          2HE       MET  20   3.187   7.587   5.344
  129   3HE   MET  20          3HE       MET  20   1.855   7.032   4.330
  130    H    THR  21           H        THR  21   5.087   1.831   0.569
  131    HA   THR  21           HA       THR  21   7.092   3.684   0.141
  132    HB   THR  21           HB       THR  21   7.136   1.063   0.333
  133    HG1  THR  21           1HG      THR  21   9.127   1.689   0.337
  134   1HG2  THR  21          1HG2      THR  21   7.155  -0.221  -1.509
  135   2HG2  THR  21          2HG2      THR  21   7.808   1.060  -2.531
  136   3HG2  THR  21          3HG2      THR  21   6.091   1.045  -2.123
  137    H    HIS  22           H        HIS  22   4.551   2.638  -1.934
  138    HA   HIS  22           HA       HIS  22   5.502   4.468  -4.020
  139   1HB   HIS  22          2HB       HIS  22   4.610   2.856  -5.721
  140   2HB   HIS  22          1HB       HIS  22   6.017   2.268  -4.838
  141    HD1  HIS  22           1HD      HIS  22   5.744  -0.137  -4.334
  142    HD2  HIS  22           2HD      HIS  22   2.148   1.918  -4.081
  143    HE1  HIS  22           1HE      HIS  22   4.042  -1.841  -3.601
  144    HE2  HIS  22           2HE      HIS  22   1.905  -0.544  -3.342
  145    H    CYS  23           H        CYS  23   3.021   3.678  -1.892
  146    HA   CYS  23           HA       CYS  23   1.015   4.924  -3.650
  147   1HB   CYS  23          2HB       CYS  23   0.806   2.803  -1.551
  148   2HB   CYS  23          1HB       CYS  23  -0.533   3.920  -1.743
  149    H    ALA  24           H        ALA  24   0.730   6.998  -3.220
  150    HA   ALA  24           HA       ALA  24   0.160   7.883  -0.544
  151   1HB   ALA  24          1HB       ALA  24   2.760   7.870  -0.952
  152   2HB   ALA  24          2HB       ALA  24   1.979   9.195  -0.089
  153   3HB   ALA  24          3HB       ALA  24   2.409   9.383  -1.789
  154    H    LYS  25           H        LYS  25  -1.267   7.814  -3.008
  155    HA   LYS  25           HA       LYS  25  -2.001  10.614  -3.174
  156   1HB   LYS  25          2HB       LYS  25  -1.951  10.586  -5.674
  157   2HB   LYS  25          1HB       LYS  25  -0.362  10.540  -4.926
  158   1HG   LYS  25          2HG       LYS  25  -1.604   7.939  -5.585
  159   2HG   LYS  25          1HG       LYS  25  -1.064   8.943  -6.933
  160   1HD   LYS  25          2HD       LYS  25   0.838   8.703  -4.698
  161   2HD   LYS  25          1HD       LYS  25   0.526   7.211  -5.588
  162   1HE   LYS  25          2HE       LYS  25   1.140   9.760  -7.036
  163   2HE   LYS  25          1HE       LYS  25   2.438   8.767  -6.373
  164   1HZ   LYS  25          1HZ       LYS  25   0.367   7.770  -8.253
  165   2HZ   LYS  25          2HZ       LYS  25   1.732   6.932  -7.710
  166   3HZ   LYS  25          3HZ       LYS  25   1.912   8.277  -8.720
  Start of MODEL    2
    1   1H    ALA   1          1HT       ALA   1  -2.477   4.259   2.558
    2   2H    ALA   1          2HT       ALA   1  -0.818   3.841   2.695
    3   3H    ALA   1          3HT       ALA   1  -1.580   4.752   3.934
    4    HA   ALA   1           HA       ALA   1  -1.177   2.283   4.267
    5   1HB   ALA   1          1HB       ALA   1  -2.358   3.256   5.966
    6   2HB   ALA   1          2HB       ALA   1  -3.603   2.200   5.299
    7   3HB   ALA   1          3HB       ALA   1  -3.587   3.915   4.885
    8    H    VAL   2           H        VAL   2  -1.513   0.354   3.520
    9    HA   VAL   2           HA       VAL   2  -2.656  -0.184   1.058
   10    HB   VAL   2           HB       VAL   2  -1.006  -1.562   2.402
   11   1HG1  VAL   2          1HG1      VAL   2  -2.798  -1.686   4.330
   12   2HG1  VAL   2          2HG1      VAL   2  -1.661  -3.005   4.049
   13   3HG1  VAL   2          3HG1      VAL   2  -3.313  -3.123   3.445
   14   1HG2  VAL   2          1HG2      VAL   2  -1.620  -2.442   0.331
   15   2HG2  VAL   2          2HG2      VAL   2  -3.281  -2.741   0.843
   16   3HG2  VAL   2          3HG2      VAL   2  -1.974  -3.754   1.457
   17    H    SER   3           H        SER   3  -4.157   0.077   4.163
   18    HA   SER   3           HA       SER   3  -6.500  -1.433   3.586
   19   1HB   SER   3          2HB       SER   3  -5.852   0.661   5.662
   20   2HB   SER   3          1HB       SER   3  -7.445  -0.083   5.548
   21    HG   SER   3           HG       SER   3  -6.578  -2.036   6.058
   22    H    ALA   4           H        ALA   4  -5.514   1.887   3.118
   23    HA   ALA   4           HA       ALA   4  -8.118   2.463   1.864
   24   1HB   ALA   4          1HB       ALA   4  -6.342   4.720   2.530
   25   2HB   ALA   4          2HB       ALA   4  -7.021   3.841   3.899
   26   3HB   ALA   4          3HB       ALA   4  -8.090   4.561   2.696
   27    H    CYS   5           H        CYS   5  -5.590   1.190   0.766
   28    HA   CYS   5           HA       CYS   5  -4.145   2.812  -0.910
   29   1HB   CYS   5          2HB       CYS   5  -3.613   0.472  -0.678
   30   2HB   CYS   5          1HB       CYS   5  -5.152   0.004  -1.387
   31    H    ALA   6           H        ALA   6  -4.470   3.880  -2.773
   32    HA   ALA   6           HA       ALA   6  -7.174   4.251  -3.677
   33   1HB   ALA   6          1HB       ALA   6  -4.788   5.378  -5.085
   34   2HB   ALA   6          2HB       ALA   6  -5.274   6.001  -3.507
   35   3HB   ALA   6          3HB       ALA   6  -6.393   6.075  -4.867
   36    H    LEU   7           H        LEU   7  -4.339   2.528  -4.803
   37    HA   LEU   7           HA       LEU   7  -5.713   1.856  -7.297
   38   1HB   LEU   7          2HB       LEU   7  -3.503   0.871  -7.937
   39   2HB   LEU   7          1HB       LEU   7  -3.509   2.603  -7.701
   40    HG   LEU   7           HG       LEU   7  -2.713   1.863  -5.257
   41   1HD1  LEU   7          1HD1      LEU   7  -2.305  -0.480  -6.980
   42   2HD1  LEU   7          2HD1      LEU   7  -2.424  -0.364  -5.225
   43   3HD1  LEU   7          3HD1      LEU   7  -0.903   0.016  -6.033
   44   1HD2  LEU   7          1HD2      LEU   7  -1.272   2.479  -7.771
   45   2HD2  LEU   7          2HD2      LEU   7  -0.315   1.926  -6.396
   46   3HD2  LEU   7          3HD2      LEU   7  -1.323   3.365  -6.246
   47    H    SER   8           H        SER   8  -4.878  -0.535  -7.995
   48    HA   SER   8           HA       SER   8  -6.467  -2.345  -6.723
   49   1HB   SER   8          2HB       SER   8  -3.995  -2.679  -8.388
   50   2HB   SER   8          1HB       SER   8  -4.788  -4.092  -7.691
   51    HG   SER   8           HG       SER   8  -5.723  -2.293  -9.630
   52    H    LYS   9           H        LYS   9  -5.634  -4.465  -5.681
   53    HA   LYS   9           HA       LYS   9  -4.790  -3.936  -3.100
   54   1HB   LYS   9          2HB       LYS   9  -4.724  -6.463  -4.736
   55   2HB   LYS   9          1HB       LYS   9  -4.219  -6.432  -3.053
   56   1HG   LYS   9          2HG       LYS   9  -6.853  -5.246  -3.635
   57   2HG   LYS   9          1HG       LYS   9  -6.715  -6.992  -3.847
   58   1HD   LYS   9          2HD       LYS   9  -6.076  -7.314  -1.596
   59   2HD   LYS   9          1HD       LYS   9  -5.777  -5.591  -1.357
   60   1HE   LYS   9          2HE       LYS   9  -7.820  -5.845  -0.328
   61   2HE   LYS   9          1HE       LYS   9  -8.305  -5.360  -1.952
   62   1HZ   LYS   9          1HZ       LYS   9  -8.268  -7.960  -2.294
   63   2HZ   LYS   9          2HZ       LYS   9  -9.629  -7.164  -1.683
   64   3HZ   LYS   9          3HZ       LYS   9  -8.567  -7.951  -0.628
   65    H    CYS  10           H        CYS  10  -2.866  -3.914  -2.036
   66    HA   CYS  10           HA       CYS  10  -0.438  -4.171  -3.689
   67   1HB   CYS  10          2HB       CYS  10  -1.200  -2.158  -1.603
   68   2HB   CYS  10          1HB       CYS  10   0.499  -2.531  -1.878
   69    H    ALA  11           H        ALA  11   0.961  -5.674  -3.067
   70    HA   ALA  11           HA       ALA  11   2.058  -7.232  -1.824
   71   1HB   ALA  11          1HB       ALA  11   1.204  -6.020   0.750
   72   2HB   ALA  11          2HB       ALA  11   2.212  -5.055  -0.330
   73   3HB   ALA  11          3HB       ALA  11   2.785  -6.619   0.249
   74    H    ALA  12           H        ALA  12   1.519  -9.259  -1.289
   75    HA   ALA  12           HA       ALA  12  -1.260  -9.769  -0.524
   76   1HB   ALA  12          1HB       ALA  12   0.874 -11.524  -1.713
   77   2HB   ALA  12          2HB       ALA  12  -0.629 -10.979  -2.457
   78   3HB   ALA  12          3HB       ALA  12  -0.672 -12.147  -1.136
   79    H    ALA  13           H        ALA  13   0.574  -8.787   1.452
   80    HA   ALA  13           HA       ALA  13   0.235 -10.885   3.423
   81   1HB   ALA  13          1HB       ALA  13   2.433 -11.410   2.522
   82   2HB   ALA  13          2HB       ALA  13   2.562 -10.825   4.181
   83   3HB   ALA  13          3HB       ALA  13   2.971  -9.761   2.836
   84    H    ALA  14           H        ALA  14  -0.739  -8.123   2.853
   85    HA   ALA  14           HA       ALA  14  -1.316  -6.262   4.023
   86   1HB   ALA  14          1HB       ALA  14  -1.747  -6.521   6.246
   87   2HB   ALA  14          2HB       ALA  14  -0.206  -7.316   6.566
   88   3HB   ALA  14          3HB       ALA  14  -1.518  -8.214   5.805
   89    H    ASN  15           H        ASN  15   1.331  -6.477   2.833
   90    HA   ASN  15           HA       ASN  15   3.165  -5.154   4.619
   91   1HB   ASN  15          2HB       ASN  15   3.525  -6.704   2.423
   92   2HB   ASN  15          1HB       ASN  15   3.715  -5.105   1.713
   93   1HD2  ASN  15          1HD2      ASN  15   4.844  -3.805   3.927
   94   2HD2  ASN  15          2HD2      ASN  15   6.433  -4.438   4.170
   95    H    VAL  16           H        VAL  16   1.706  -3.373   5.127
   96    HA   VAL  16           HA       VAL  16   0.773  -1.508   3.275
   97    HB   VAL  16           HB       VAL  16   1.626  -0.942   6.118
   98   1HG1  VAL  16          1HG1      VAL  16  -0.580   0.604   5.515
   99   2HG1  VAL  16          2HG1      VAL  16   0.384   0.667   4.041
  100   3HG1  VAL  16          3HG1      VAL  16   1.093   1.157   5.578
  101   1HG2  VAL  16          1HG2      VAL  16  -0.253  -1.903   6.899
  102   2HG2  VAL  16          2HG2      VAL  16  -0.191  -2.815   5.390
  103   3HG2  VAL  16          3HG2      VAL  16  -1.217  -1.386   5.516
  104    H    ALA  17           H        ALA  17   3.843  -1.597   5.059
  105    HA   ALA  17           HA       ALA  17   4.849   0.864   4.247
  106   1HB   ALA  17          1HB       ALA  17   6.139  -1.704   5.075
  107   2HB   ALA  17          2HB       ALA  17   6.098  -0.151   5.910
  108   3HB   ALA  17          3HB       ALA  17   7.130  -0.364   4.496
  109    H    ALA  18           H        ALA  18   5.013  -2.289   2.644
  110    HA   ALA  18           HA       ALA  18   6.639  -1.472   0.481
  111   1HB   ALA  18          1HB       ALA  18   6.128  -3.526  -0.514
  112   2HB   ALA  18          2HB       ALA  18   4.544  -3.611   0.258
  113   3HB   ALA  18          3HB       ALA  18   6.006  -3.854   1.214
  114    H    HIS  19           H        HIS  19   3.255  -1.206   1.189
  115    HA   HIS  19           HA       HIS  19   2.413  -0.492  -1.448
  116   1HB   HIS  19          2HB       HIS  19   0.617  -1.311  -0.302
  117   2HB   HIS  19          1HB       HIS  19   1.196  -0.718   1.245
  118    HD2  HIS  19           2HD      HIS  19   0.142   1.623   2.091
  119    HE1  HIS  19           1HE      HIS  19  -2.244   2.343  -1.310
  120    HE2  HIS  19           2HE      HIS  19  -1.624   3.161   1.004
  121    H    MET  20           H        MET  20   2.670   1.393   1.589
  122    HA   MET  20           HA       MET  20   2.192   3.873   0.386
  123   1HB   MET  20          2HB       MET  20   2.197   3.271   2.865
  124   2HB   MET  20          1HB       MET  20   3.935   3.530   2.804
  125   1HG   MET  20          2HG       MET  20   3.013   5.793   1.627
  126   2HG   MET  20          1HG       MET  20   1.734   5.458   2.791
  127   1HE   MET  20          1HE       MET  20   2.928   8.095   3.213
  128   2HE   MET  20          2HE       MET  20   3.534   8.121   4.869
  129   3HE   MET  20          3HE       MET  20   1.977   7.374   4.510
  130    H    THR  21           H        THR  21   5.096   1.974   0.581
  131    HA   THR  21           HA       THR  21   7.060   3.874   0.168
  132    HB   THR  21           HB       THR  21   7.162   1.253   0.343
  133    HG1  THR  21           1HG      THR  21   8.999   2.669  -1.280
  134   1HG2  THR  21          1HG2      THR  21   7.835   1.295  -2.524
  135   2HG2  THR  21          2HG2      THR  21   6.123   1.219  -2.110
  136   3HG2  THR  21          3HG2      THR  21   7.229  -0.017  -1.512
  137    H    HIS  22           H        HIS  22   4.546   2.786  -1.917
  138    HA   HIS  22           HA       HIS  22   5.459   4.650  -3.991
  139   1HB   HIS  22          2HB       HIS  22   4.611   3.031  -5.704
  140   2HB   HIS  22          1HB       HIS  22   6.025   2.464  -4.817
  141    HD1  HIS  22           1HD      HIS  22   5.796   0.049  -4.339
  142    HD2  HIS  22           2HD      HIS  22   2.162   2.035  -4.076
  143    HE1  HIS  22           1HE      HIS  22   4.125  -1.693  -3.625
  144    HE2  HIS  22           2HE      HIS  22   1.964  -0.438  -3.359
  145    H    CYS  23           H        CYS  23   2.993   3.790  -1.871
  146    HA   CYS  23           HA       CYS  23   0.962   5.000  -3.626
  147   1HB   CYS  23          2HB       CYS  23   0.798   2.864  -1.537
  148   2HB   CYS  23          1HB       CYS  23  -0.567   3.951  -1.728
  149    H    ALA  24           H        ALA  24   0.632   7.066  -3.186
  150    HA   ALA  24           HA       ALA  24  -0.054   7.946  -0.559
  151   1HB   ALA  24          1HB       ALA  24   2.585   8.859  -1.696
  152   2HB   ALA  24          2HB       ALA  24   2.328   7.939  -0.213
  153   3HB   ALA  24          3HB       ALA  24   1.770   9.609  -0.323
  154    H    LYS  25           H        LYS  25  -1.259   7.966  -3.139
  155    HA   LYS  25           HA       LYS  25  -1.882  10.793  -3.314
  156   1HB   LYS  25          2HB       LYS  25  -1.606  10.810  -5.798
  157   2HB   LYS  25          1HB       LYS  25  -0.093  10.694  -4.909
  158   1HG   LYS  25          2HG       LYS  25  -0.564   8.093  -5.274
  159   2HG   LYS  25          1HG       LYS  25  -1.411   8.735  -6.683
  160   1HD   LYS  25          2HD       LYS  25   0.869  10.147  -6.840
  161   2HD   LYS  25          1HD       LYS  25   1.477   8.688  -6.057
  162   1HE   LYS  25          2HE       LYS  25  -0.061   7.605  -7.995
  163   2HE   LYS  25          1HE       LYS  25   0.453   9.092  -8.790
  164   1HZ   LYS  25          1HZ       LYS  25   1.903   7.004  -9.017
  165   2HZ   LYS  25          2HZ       LYS  25   2.423   7.356  -7.448
  166   3HZ   LYS  25          3HZ       LYS  25   2.666   8.477  -8.690
  Start of MODEL    3
    1   1H    ALA   1          1HT       ALA   1  -2.423   4.320   2.560
    2   2H    ALA   1          2HT       ALA   1  -0.780   3.837   2.680
    3   3H    ALA   1          3HT       ALA   1  -1.493   4.776   3.927
    4    HA   ALA   1           HA       ALA   1  -1.183   2.305   4.276
    5   1HB   ALA   1          1HB       ALA   1  -2.352   3.284   5.968
    6   2HB   ALA   1          2HB       ALA   1  -3.646   2.314   5.265
    7   3HB   ALA   1          3HB       ALA   1  -3.523   4.030   4.880
    8    H    VAL   2           H        VAL   2  -1.567   0.382   3.534
    9    HA   VAL   2           HA       VAL   2  -2.703  -0.139   1.067
   10    HB   VAL   2           HB       VAL   2  -1.112  -1.558   2.445
   11   1HG1  VAL   2          1HG1      VAL   2  -3.471  -3.060   3.452
   12   2HG1  VAL   2          2HG1      VAL   2  -2.959  -1.621   4.335
   13   3HG1  VAL   2          3HG1      VAL   2  -1.832  -2.957   4.096
   14   1HG2  VAL   2          1HG2      VAL   2  -3.408  -2.710   0.886
   15   2HG2  VAL   2          2HG2      VAL   2  -2.084  -3.715   1.476
   16   3HG2  VAL   2          3HG2      VAL   2  -1.757  -2.397   0.349
   17    H    SER   3           H        SER   3  -4.234   0.207   4.147
   18    HA   SER   3           HA       SER   3  -6.615  -1.239   3.558
   19   1HB   SER   3          2HB       SER   3  -5.697   0.613   5.691
   20   2HB   SER   3          1HB       SER   3  -7.440   0.488   5.454
   21    HG   SER   3           HG       SER   3  -7.089  -1.854   5.589
   22    H    ALA   4           H        ALA   4  -5.528   2.049   3.077
   23    HA   ALA   4           HA       ALA   4  -8.097   2.691   1.786
   24   1HB   ALA   4          1HB       ALA   4  -6.111   4.763   2.649
   25   2HB   ALA   4          2HB       ALA   4  -7.253   4.066   3.799
   26   3HB   ALA   4          3HB       ALA   4  -7.846   4.926   2.378
   27    H    CYS   5           H        CYS   5  -5.610   1.314   0.724
   28    HA   CYS   5           HA       CYS   5  -4.102   2.865  -0.969
   29   1HB   CYS   5          2HB       CYS   5  -3.640   0.516  -0.685
   30   2HB   CYS   5          1HB       CYS   5  -5.185   0.077  -1.401
   31    H    ALA   6           H        ALA   6  -4.402   3.944  -2.818
   32    HA   ALA   6           HA       ALA   6  -7.060   4.425  -3.743
   33   1HB   ALA   6          1HB       ALA   6  -4.615   5.283  -5.238
   34   2HB   ALA   6          2HB       ALA   6  -5.035   6.029  -3.697
   35   3HB   ALA   6          3HB       ALA   6  -6.160   6.113  -5.052
   36    H    LEU   7           H        LEU   7  -4.372   2.459  -4.857
   37    HA   LEU   7           HA       LEU   7  -5.889   1.737  -7.254
   38   1HB   LEU   7          2HB       LEU   7  -3.760   0.620  -7.946
   39   2HB   LEU   7          1HB       LEU   7  -3.678   2.362  -7.802
   40    HG   LEU   7           HG       LEU   7  -2.793   1.704  -5.362
   41   1HD1  LEU   7          1HD1      LEU   7  -2.599  -0.739  -6.969
   42   2HD1  LEU   7          2HD1      LEU   7  -2.564  -0.522  -5.219
   43   3HD1  LEU   7          3HD1      LEU   7  -1.102  -0.259  -6.169
   44   1HD2  LEU   7          1HD2      LEU   7  -1.468   3.129  -6.594
   45   2HD2  LEU   7          2HD2      LEU   7  -1.383   2.030  -7.971
   46   3HD2  LEU   7          3HD2      LEU   7  -0.456   1.687  -6.510
   47    H    SER   8           H        SER   8  -5.230  -0.713  -7.874
   48    HA   SER   8           HA       SER   8  -6.812  -2.377  -6.402
   49   1HB   SER   8          2HB       SER   8  -4.595  -2.826  -8.335
   50   2HB   SER   8          1HB       SER   8  -5.156  -4.215  -7.404
   51    HG   SER   8           HG       SER   8  -6.280  -3.891  -9.416
   52    H    LYS   9           H        LYS   9  -5.975  -4.510  -5.357
   53    HA   LYS   9           HA       LYS   9  -4.915  -3.924  -2.868
   54   1HB   LYS   9          2HB       LYS   9  -6.185  -6.007  -3.601
   55   2HB   LYS   9          1HB       LYS   9  -4.647  -6.617  -4.196
   56   1HG   LYS   9          2HG       LYS   9  -3.733  -6.329  -1.887
   57   2HG   LYS   9          1HG       LYS   9  -5.371  -5.945  -1.355
   58   1HD   LYS   9          2HD       LYS   9  -5.108  -8.409  -2.942
   59   2HD   LYS   9          1HD       LYS   9  -4.315  -8.440  -1.365
   60   1HE   LYS   9          2HE       LYS   9  -6.350  -9.065  -0.633
   61   2HE   LYS   9          1HE       LYS   9  -6.690  -7.336  -0.703
   62   1HZ   LYS   9          1HZ       LYS   9  -7.542  -9.472  -2.526
   63   2HZ   LYS   9          2HZ       LYS   9  -7.338  -7.911  -3.146
   64   3HZ   LYS   9          3HZ       LYS   9  -8.434  -8.184  -1.886
   65    H    CYS  10           H        CYS  10  -2.922  -3.747  -2.030
   66    HA   CYS  10           HA       CYS  10  -0.651  -4.142  -3.856
   67   1HB   CYS  10          2HB       CYS  10  -1.200  -2.197  -1.656
   68   2HB   CYS  10          1HB       CYS  10   0.471  -2.640  -1.992
   69    H    ALA  11           H        ALA  11   1.376  -4.889  -2.904
   70    HA   ALA  11           HA       ALA  11   2.607  -6.428  -1.767
   71   1HB   ALA  11          1HB       ALA  11   2.635  -5.346   0.219
   72   2HB   ALA  11          2HB       ALA  11   1.672  -6.735   0.725
   73   3HB   ALA  11          3HB       ALA  11   0.878  -5.219   0.300
   74    H    ALA  12           H        ALA  12   2.198  -8.461  -0.134
   75    HA   ALA  12           HA       ALA  12  -0.166  -9.929  -1.046
   76   1HB   ALA  12          1HB       ALA  12   2.151 -10.311  -2.352
   77   2HB   ALA  12          2HB       ALA  12   0.941 -11.574  -2.124
   78   3HB   ALA  12          3HB       ALA  12   2.338 -11.488  -1.051
   79    H    ALA  13           H        ALA  13   0.633  -8.742   1.507
   80    HA   ALA  13           HA       ALA  13  -0.124 -10.831   3.228
   81   1HB   ALA  13          1HB       ALA  13   2.358 -11.353   2.622
   82   2HB   ALA  13          2HB       ALA  13   1.808 -11.503   4.292
   83   3HB   ALA  13          3HB       ALA  13   2.711 -10.076   3.785
   84    H    ALA  14           H        ALA  14  -0.840  -8.127   2.725
   85    HA   ALA  14           HA       ALA  14  -1.492  -6.268   3.862
   86   1HB   ALA  14          1HB       ALA  14  -1.050  -6.532   6.495
   87   2HB   ALA  14          2HB       ALA  14  -0.971  -8.226   6.010
   88   3HB   ALA  14          3HB       ALA  14  -2.416  -7.274   5.663
   89    H    ASN  15           H        ASN  15   1.214  -6.504   2.830
   90    HA   ASN  15           HA       ASN  15   2.956  -5.198   4.717
   91   1HB   ASN  15          2HB       ASN  15   3.230  -6.526   2.183
   92   2HB   ASN  15          1HB       ASN  15   4.002  -4.947   2.097
   93   1HD2  ASN  15          1HD2      ASN  15   5.800  -4.530   3.331
   94   2HD2  ASN  15          2HD2      ASN  15   6.665  -5.764   4.175
   95    H    VAL  16           H        VAL  16   1.572  -3.377   5.177
   96    HA   VAL  16           HA       VAL  16   0.696  -1.512   3.299
   97    HB   VAL  16           HB       VAL  16   1.539  -0.936   6.142
   98   1HG1  VAL  16          1HG1      VAL  16  -0.620   0.659   5.520
   99   2HG1  VAL  16          2HG1      VAL  16   0.336   0.676   4.037
  100   3HG1  VAL  16          3HG1      VAL  16   1.068   1.169   5.565
  101   1HG2  VAL  16          1HG2      VAL  16  -0.366  -1.847   6.917
  102   2HG2  VAL  16          2HG2      VAL  16  -0.314  -2.774   5.417
  103   3HG2  VAL  16          3HG2      VAL  16  -1.308  -1.320   5.522
  104    H    ALA  17           H        ALA  17   3.752  -1.660   5.100
  105    HA   ALA  17           HA       ALA  17   4.821   0.773   4.277
  106   1HB   ALA  17          1HB       ALA  17   6.362  -1.775   4.767
  107   2HB   ALA  17          2HB       ALA  17   5.799  -0.680   6.029
  108   3HB   ALA  17          3HB       ALA  17   6.988  -0.128   4.850
  109    H    ALA  18           H        ALA  18   4.922  -2.398   2.703
  110    HA   ALA  18           HA       ALA  18   6.579  -1.635   0.544
  111   1HB   ALA  18          1HB       ALA  18   6.247  -3.736  -0.242
  112   2HB   ALA  18          2HB       ALA  18   4.508  -3.687   0.046
  113   3HB   ALA  18          3HB       ALA  18   5.615  -3.997   1.383
  114    H    HIS  19           H        HIS  19   3.202  -1.289   1.231
  115    HA   HIS  19           HA       HIS  19   2.389  -0.583  -1.419
  116   1HB   HIS  19          2HB       HIS  19   0.571  -1.363  -0.282
  117   2HB   HIS  19          1HB       HIS  19   1.151  -0.774   1.267
  118    HD2  HIS  19           2HD      HIS  19   0.127   1.582   2.100
  119    HE1  HIS  19           1HE      HIS  19  -2.218   2.339  -1.321
  120    HE2  HIS  19           2HE      HIS  19  -1.604   3.149   0.996
  121    H    MET  20           H        MET  20   2.661   1.316   1.609
  122    HA   MET  20           HA       MET  20   2.234   3.798   0.389
  123   1HB   MET  20          2HB       MET  20   2.220   3.206   2.873
  124   2HB   MET  20          1HB       MET  20   3.961   3.440   2.817
  125   1HG   MET  20          2HG       MET  20   3.794   5.689   2.571
  126   2HG   MET  20          1HG       MET  20   2.258   5.592   1.711
  127   1HE   MET  20          1HE       MET  20   3.709   7.219   4.159
  128   2HE   MET  20          2HE       MET  20   2.613   7.378   5.531
  129   3HE   MET  20          3HE       MET  20   2.136   7.989   3.947
  130    H    THR  21           H        THR  21   5.096   1.841   0.593
  131    HA   THR  21           HA       THR  21   7.102   3.697   0.185
  132    HB   THR  21           HB       THR  21   7.148   1.075   0.357
  133    HG1  THR  21           1HG      THR  21   9.118   1.796   0.402
  134   1HG2  THR  21          1HG2      THR  21   7.265  -0.191  -1.519
  135   2HG2  THR  21          2HG2      THR  21   7.764   1.161  -2.536
  136   3HG2  THR  21          3HG2      THR  21   6.077   1.002  -2.045
  137    H    HIS  22           H        HIS  22   4.571   2.660  -1.906
  138    HA   HIS  22           HA       HIS  22   5.523   4.510  -3.976
  139   1HB   HIS  22          2HB       HIS  22   4.617   2.909  -5.687
  140   2HB   HIS  22          1HB       HIS  22   6.037   2.324  -4.822
  141    HD1  HIS  22           1HD      HIS  22   5.791  -0.080  -4.305
  142    HD2  HIS  22           2HD      HIS  22   2.171   1.934  -4.064
  143    HE1  HIS  22           1HE      HIS  22   4.105  -1.803  -3.580
  144    HE2  HIS  22           2HE      HIS  22   1.954  -0.531  -3.324
  145    H    CYS  23           H        CYS  23   3.039   3.679  -1.861
  146    HA   CYS  23           HA       CYS  23   1.034   4.963  -3.589
  147   1HB   CYS  23          2HB       CYS  23   0.825   2.804  -1.525
  148   2HB   CYS  23          1HB       CYS  23  -0.517   3.922  -1.707
  149    H    ALA  24           H        ALA  24   2.892   6.545  -2.274
  150    HA   ALA  24           HA       ALA  24   1.441   7.634   0.035
  151   1HB   ALA  24          1HB       ALA  24   4.059   7.060  -0.152
  152   2HB   ALA  24          2HB       ALA  24   3.413   8.318   0.900
  153   3HB   ALA  24          3HB       ALA  24   4.081   8.744  -0.675
  154    H    LYS  25           H        LYS  25   0.425   8.052  -2.592
  155    HA   LYS  25           HA       LYS  25   1.183  10.582  -3.622
  156   1HB   LYS  25          2HB       LYS  25  -1.408   9.058  -3.954
  157   2HB   LYS  25          1HB       LYS  25  -0.914  10.442  -4.918
  158   1HG   LYS  25          2HG       LYS  25   0.712   7.923  -4.764
  159   2HG   LYS  25          1HG       LYS  25  -0.576   8.158  -5.947
  160   1HD   LYS  25          2HD       LYS  25   0.808  10.451  -6.276
  161   2HD   LYS  25          1HD       LYS  25   2.113   9.362  -5.799
  162   1HE   LYS  25          2HE       LYS  25   0.173   8.452  -7.866
  163   2HE   LYS  25          1HE       LYS  25   1.401   9.631  -8.324
  164   1HZ   LYS  25          1HZ       LYS  25   2.241   7.459  -8.755
  165   2HZ   LYS  25          2HZ       LYS  25   1.859   6.925  -7.197
  166   3HZ   LYS  25          3HZ       LYS  25   3.082   8.072  -7.420
  Start of MODEL    4
    1   1H    ALA   1          1HT       ALA   1  -2.410   4.342   2.548
    2   2H    ALA   1          2HT       ALA   1  -0.772   3.849   2.679
    3   3H    ALA   1          3HT       ALA   1  -1.486   4.800   3.917
    4    HA   ALA   1           HA       ALA   1  -1.194   2.329   4.282
    5   1HB   ALA   1          1HB       ALA   1  -2.572   4.025   5.602
    6   2HB   ALA   1          2HB       ALA   1  -3.020   2.327   5.753
    7   3HB   ALA   1          3HB       ALA   1  -3.966   3.401   4.721
    8    H    VAL   2           H        VAL   2  -1.582   0.405   3.545
    9    HA   VAL   2           HA       VAL   2  -2.703  -0.123   1.075
   10    HB   VAL   2           HB       VAL   2  -1.133  -1.545   2.473
   11   1HG1  VAL   2          1HG1      VAL   2  -2.977  -1.586   4.357
   12   2HG1  VAL   2          2HG1      VAL   2  -1.884  -2.949   4.114
   13   3HG1  VAL   2          3HG1      VAL   2  -3.524  -3.009   3.470
   14   1HG2  VAL   2          1HG2      VAL   2  -3.425  -2.704   0.910
   15   2HG2  VAL   2          2HG2      VAL   2  -2.093  -3.697   1.501
   16   3HG2  VAL   2          3HG2      VAL   2  -1.778  -2.380   0.370
   17    H    SER   3           H        SER   3  -4.255   0.247   4.141
   18    HA   SER   3           HA       SER   3  -6.642  -1.187   3.541
   19   1HB   SER   3          2HB       SER   3  -5.728   0.671   5.670
   20   2HB   SER   3          1HB       SER   3  -7.470   0.558   5.421
   21    HG   SER   3           HG       SER   3  -5.774  -1.217   6.572
   22    H    ALA   4           H        ALA   4  -5.536   2.100   3.065
   23    HA   ALA   4           HA       ALA   4  -8.091   2.750   1.749
   24   1HB   ALA   4          1HB       ALA   4  -6.210   4.932   2.402
   25   2HB   ALA   4          2HB       ALA   4  -6.978   4.123   3.768
   26   3HB   ALA   4          3HB       ALA   4  -7.969   4.874   2.518
   27    H    CYS   5           H        CYS   5  -5.611   1.345   0.708
   28    HA   CYS   5           HA       CYS   5  -4.088   2.875  -0.993
   29   1HB   CYS   5          2HB       CYS   5  -3.633   0.528  -0.681
   30   2HB   CYS   5          1HB       CYS   5  -5.176   0.086  -1.399
   31    H    ALA   6           H        ALA   6  -4.385   3.949  -2.843
   32    HA   ALA   6           HA       ALA   6  -7.027   4.444  -3.781
   33   1HB   ALA   6          1HB       ALA   6  -4.313   5.418  -4.425
   34   2HB   ALA   6          2HB       ALA   6  -5.797   6.315  -4.105
   35   3HB   ALA   6          3HB       ALA   6  -5.535   5.578  -5.685
   36    H    LEU   7           H        LEU   7  -4.377   2.412  -4.875
   37    HA   LEU   7           HA       LEU   7  -5.935   1.658  -7.237
   38   1HB   LEU   7          2HB       LEU   7  -3.826   0.509  -7.939
   39   2HB   LEU   7          1HB       LEU   7  -3.727   2.252  -7.832
   40    HG   LEU   7           HG       LEU   7  -2.810   1.635  -5.393
   41   1HD1  LEU   7          1HD1      LEU   7  -2.668  -0.841  -6.947
   42   2HD1  LEU   7          2HD1      LEU   7  -2.583  -0.585  -5.204
   43   3HD1  LEU   7          3HD1      LEU   7  -1.146  -0.357  -6.200
   44   1HD2  LEU   7          1HD2      LEU   7  -0.542   1.840  -6.339
   45   2HD2  LEU   7          2HD2      LEU   7  -1.661   3.038  -6.988
   46   3HD2  LEU   7          3HD2      LEU   7  -1.221   1.629  -7.952
   47    H    SER   8           H        SER   8  -5.311  -0.808  -7.818
   48    HA   SER   8           HA       SER   8  -6.877  -2.427  -6.275
   49   1HB   SER   8          2HB       SER   8  -5.942  -2.909  -8.583
   50   2HB   SER   8          1HB       SER   8  -4.470  -3.452  -7.778
   51    HG   SER   8           HG       SER   8  -6.004  -5.145  -8.238
   52    H    LYS   9           H        LYS   9  -6.017  -4.561  -5.231
   53    HA   LYS   9           HA       LYS   9  -4.895  -3.944  -2.774
   54   1HB   LYS   9          2HB       LYS   9  -5.113  -6.547  -4.272
   55   2HB   LYS   9          1HB       LYS   9  -4.429  -6.461  -2.653
   56   1HG   LYS   9          2HG       LYS   9  -6.446  -5.943  -1.679
   57   2HG   LYS   9          1HG       LYS   9  -7.115  -5.276  -3.170
   58   1HD   LYS   9          2HD       LYS   9  -7.556  -7.388  -4.058
   59   2HD   LYS   9          1HD       LYS   9  -6.440  -8.189  -2.950
   60   1HE   LYS   9          2HE       LYS   9  -7.924  -7.831  -1.101
   61   2HE   LYS   9          1HE       LYS   9  -8.985  -6.827  -2.088
   62   1HZ   LYS   9          1HZ       LYS   9  -8.449  -9.673  -2.712
   63   2HZ   LYS   9          2HZ       LYS   9  -9.676  -8.685  -3.330
   64   3HZ   LYS   9          3HZ       LYS   9  -9.726  -9.183  -1.715
   65    H    CYS  10           H        CYS  10  -2.886  -3.707  -2.014
   66    HA   CYS  10           HA       CYS  10  -0.664  -4.125  -3.890
   67   1HB   CYS  10          2HB       CYS  10  -1.159  -2.202  -1.661
   68   2HB   CYS  10          1HB       CYS  10   0.505  -2.654  -2.019
   69    H    ALA  11           H        ALA  11   1.386  -4.892  -3.009
   70    HA   ALA  11           HA       ALA  11   2.646  -6.448  -1.928
   71   1HB   ALA  11          1HB       ALA  11   1.658  -4.849   0.012
   72   2HB   ALA  11          2HB       ALA  11   2.785  -6.174   0.302
   73   3HB   ALA  11          3HB       ALA  11   1.056  -6.419   0.547
   74    H    ALA  12           H        ALA  12   2.129  -8.436  -0.136
   75    HA   ALA  12           HA       ALA  12  -0.211  -9.905  -1.071
   76   1HB   ALA  12          1HB       ALA  12   2.470 -11.244  -1.209
   77   2HB   ALA  12          2HB       ALA  12   1.805 -10.362  -2.584
   78   3HB   ALA  12          3HB       ALA  12   0.940 -11.751  -1.925
   79    H    ALA  13           H        ALA  13   0.624  -8.731   1.467
   80    HA   ALA  13           HA       ALA  13  -0.096 -10.835   3.192
   81   1HB   ALA  13          1HB       ALA  13   2.127 -11.682   2.831
   82   2HB   ALA  13          2HB       ALA  13   2.016 -11.043   4.472
   83   3HB   ALA  13          3HB       ALA  13   2.831 -10.110   3.215
   84    H    ALA  14           H        ALA  14  -0.835  -8.124   2.688
   85    HA   ALA  14           HA       ALA  14  -1.494  -6.270   3.828
   86   1HB   ALA  14          1HB       ALA  14  -2.035  -6.496   6.046
   87   2HB   ALA  14          2HB       ALA  14  -0.567  -7.398   6.426
   88   3HB   ALA  14          3HB       ALA  14  -1.893  -8.190   5.574
   89    H    ASN  15           H        ASN  15   1.226  -6.506   2.824
   90    HA   ASN  15           HA       ASN  15   2.945  -5.203   4.735
   91   1HB   ASN  15          2HB       ASN  15   3.254  -6.531   2.208
   92   2HB   ASN  15          1HB       ASN  15   4.020  -4.949   2.125
   93   1HD2  ASN  15          1HD2      ASN  15   5.691  -4.455   3.594
   94   2HD2  ASN  15          2HD2      ASN  15   6.597  -5.707   4.367
   95    H    VAL  16           H        VAL  16   1.561  -3.382   5.183
   96    HA   VAL  16           HA       VAL  16   0.698  -1.515   3.302
   97    HB   VAL  16           HB       VAL  16   1.529  -0.940   6.149
   98   1HG1  VAL  16          1HG1      VAL  16  -0.624   0.658   5.523
   99   2HG1  VAL  16          2HG1      VAL  16   0.329   0.670   4.039
  100   3HG1  VAL  16          3HG1      VAL  16   1.065   1.166   5.563
  101   1HG2  VAL  16          1HG2      VAL  16  -0.380  -1.854   6.914
  102   2HG2  VAL  16          2HG2      VAL  16  -0.326  -2.776   5.411
  103   3HG2  VAL  16          3HG2      VAL  16  -1.317  -1.321   5.519
  104    H    ALA  17           H        ALA  17   3.745  -1.665   5.118
  105    HA   ALA  17           HA       ALA  17   4.819   0.767   4.303
  106   1HB   ALA  17          1HB       ALA  17   5.942  -1.789   5.298
  107   2HB   ALA  17          2HB       ALA  17   6.130  -0.149   5.920
  108   3HB   ALA  17          3HB       ALA  17   7.058  -0.672   4.513
  109    H    ALA  18           H        ALA  18   4.926  -2.399   2.721
  110    HA   ALA  18           HA       ALA  18   6.592  -1.629   0.570
  111   1HB   ALA  18          1HB       ALA  18   5.911  -3.659  -0.494
  112   2HB   ALA  18          2HB       ALA  18   4.458  -3.760   0.500
  113   3HB   ALA  18          3HB       ALA  18   6.046  -3.988   1.233
  114    H    HIS  19           H        HIS  19   3.210  -1.291   1.245
  115    HA   HIS  19           HA       HIS  19   2.408  -0.578  -1.406
  116   1HB   HIS  19          2HB       HIS  19   0.586  -1.363  -0.279
  117   2HB   HIS  19          1HB       HIS  19   1.158  -0.779   1.274
  118    HD2  HIS  19           2HD      HIS  19   0.137   1.581   2.107
  119    HE1  HIS  19           1HE      HIS  19  -2.203   2.337  -1.318
  120    HE2  HIS  19           2HE      HIS  19  -1.592   3.148   1.000
  121    H    MET  20           H        MET  20   2.666   1.311   1.629
  122    HA   MET  20           HA       MET  20   2.237   3.795   0.419
  123   1HB   MET  20          2HB       MET  20   2.216   3.199   2.899
  124   2HB   MET  20          1HB       MET  20   3.958   3.428   2.849
  125   1HG   MET  20          2HG       MET  20   3.798   5.679   2.611
  126   2HG   MET  20          1HG       MET  20   2.265   5.589   1.747
  127   1HE   MET  20          1HE       MET  20   0.906   7.671   3.540
  128   2HE   MET  20          2HE       MET  20  -0.272   6.462   4.051
  129   3HE   MET  20          3HE       MET  20   0.435   6.376   2.438
  130    H    THR  21           H        THR  21   5.105   1.848   0.628
  131    HA   THR  21           HA       THR  21   7.106   3.712   0.227
  132    HB   THR  21           HB       THR  21   7.159   1.090   0.400
  133    HG1  THR  21           1HG      THR  21   9.154   1.692   0.409
  134   1HG2  THR  21          1HG2      THR  21   7.259  -0.178  -1.467
  135   2HG2  THR  21          2HG2      THR  21   7.809   1.157  -2.480
  136   3HG2  THR  21          3HG2      THR  21   6.109   1.037  -2.026
  137    H    HIS  22           H        HIS  22   4.583   2.670  -1.872
  138    HA   HIS  22           HA       HIS  22   5.540   4.521  -3.939
  139   1HB   HIS  22          2HB       HIS  22   4.659   2.916  -5.656
  140   2HB   HIS  22          1HB       HIS  22   6.069   2.332  -4.774
  141    HD1  HIS  22           1HD      HIS  22   5.815  -0.076  -4.279
  142    HD2  HIS  22           2HD      HIS  22   2.198   1.945  -4.039
  143    HE1  HIS  22           1HE      HIS  22   4.126  -1.799  -3.565
  144    HE2  HIS  22           2HE      HIS  22   1.975  -0.523  -3.311
  145    H    CYS  23           H        CYS  23   3.048   3.704  -1.833
  146    HA   CYS  23           HA       CYS  23   1.049   4.955  -3.594
  147   1HB   CYS  23          2HB       CYS  23   0.838   2.815  -1.515
  148   2HB   CYS  23          1HB       CYS  23  -0.506   3.930  -1.701
  149    H    ALA  24           H        ALA  24   0.750   7.024  -3.149
  150    HA   ALA  24           HA       ALA  24   0.138   7.892  -0.483
  151   1HB   ALA  24          1HB       ALA  24   2.414   8.097  -0.085
  152   2HB   ALA  24          2HB       ALA  24   1.966   9.716  -0.618
  153   3HB   ALA  24          3HB       ALA  24   2.760   8.608  -1.736
  154    H    LYS  25           H        LYS  25  -1.220   7.861  -2.987
  155    HA   LYS  25           HA       LYS  25  -1.931  10.667  -3.139
  156   1HB   LYS  25          2HB       LYS  25  -1.839  10.590  -5.674
  157   2HB   LYS  25          1HB       LYS  25  -0.291  10.693  -4.846
  158   1HG   LYS  25          2HG       LYS  25  -1.301   7.989  -5.508
  159   2HG   LYS  25          1HG       LYS  25  -0.734   9.001  -6.838
  160   1HD   LYS  25          2HD       LYS  25   1.013   8.936  -4.470
  161   2HD   LYS  25          1HD       LYS  25   0.867   7.409  -5.343
  162   1HE   LYS  25          2HE       LYS  25   1.331   9.889  -6.915
  163   2HE   LYS  25          1HE       LYS  25   2.680   9.227  -5.992
  164   1HZ   LYS  25          1HZ       LYS  25   2.352   8.455  -8.394
  165   2HZ   LYS  25          2HZ       LYS  25   1.088   7.509  -7.788
  166   3HZ   LYS  25          3HZ       LYS  25   2.664   7.277  -7.220
  Start of MODEL    5
    1   1H    ALA   1          1HT       ALA   1  -2.414   4.324   2.540
    2   2H    ALA   1          2HT       ALA   1  -0.771   3.844   2.672
    3   3H    ALA   1          3HT       ALA   1  -1.493   4.790   3.909
    4    HA   ALA   1           HA       ALA   1  -1.181   2.317   4.268
    5   1HB   ALA   1          1HB       ALA   1  -3.945   3.409   4.726
    6   2HB   ALA   1          2HB       ALA   1  -2.538   3.985   5.620
    7   3HB   ALA   1          3HB       ALA   1  -3.023   2.293   5.735
    8    H    VAL   2           H        VAL   2  -1.566   0.393   3.531
    9    HA   VAL   2           HA       VAL   2  -2.705  -0.135   1.066
   10    HB   VAL   2           HB       VAL   2  -1.115  -1.551   2.448
   11   1HG1  VAL   2          1HG1      VAL   2  -3.486  -3.032   3.465
   12   2HG1  VAL   2          2HG1      VAL   2  -2.941  -1.606   4.348
   13   3HG1  VAL   2          3HG1      VAL   2  -1.840  -2.960   4.095
   14   1HG2  VAL   2          1HG2      VAL   2  -3.413  -2.709   0.896
   15   2HG2  VAL   2          2HG2      VAL   2  -2.085  -3.709   1.486
   16   3HG2  VAL   2          3HG2      VAL   2  -1.765  -2.394   0.355
   17    H    SER   3           H        SER   3  -4.232   0.220   4.148
   18    HA   SER   3           HA       SER   3  -6.615  -1.225   3.566
   19   1HB   SER   3          2HB       SER   3  -5.692   0.633   5.692
   20   2HB   SER   3          1HB       SER   3  -7.435   0.510   5.458
   21    HG   SER   3           HG       SER   3  -5.665  -1.313   6.496
   22    H    ALA   4           H        ALA   4  -5.525   2.061   3.074
   23    HA   ALA   4           HA       ALA   4  -8.094   2.701   1.783
   24   1HB   ALA   4          1HB       ALA   4  -7.098   5.123   2.062
   25   2HB   ALA   4          2HB       ALA   4  -6.171   4.348   3.348
   26   3HB   ALA   4          3HB       ALA   4  -7.934   4.322   3.391
   27    H    CYS   5           H        CYS   5  -5.607   1.321   0.724
   28    HA   CYS   5           HA       CYS   5  -4.101   2.868  -0.973
   29   1HB   CYS   5          2HB       CYS   5  -3.636   0.520  -0.683
   30   2HB   CYS   5          1HB       CYS   5  -5.182   0.079  -1.397
   31    H    ALA   6           H        ALA   6  -4.402   3.945  -2.824
   32    HA   ALA   6           HA       ALA   6  -7.059   4.424  -3.748
   33   1HB   ALA   6          1HB       ALA   6  -6.134   6.066  -5.139
   34   2HB   ALA   6          2HB       ALA   6  -4.561   5.271  -5.181
   35   3HB   ALA   6          3HB       ALA   6  -5.109   6.065  -3.704
   36    H    LEU   7           H        LEU   7  -4.374   2.450  -4.859
   37    HA   LEU   7           HA       LEU   7  -5.897   1.722  -7.252
   38   1HB   LEU   7          2HB       LEU   7  -3.770   0.602  -7.944
   39   2HB   LEU   7          1HB       LEU   7  -3.687   2.343  -7.806
   40    HG   LEU   7           HG       LEU   7  -2.798   1.692  -5.366
   41   1HD1  LEU   7          1HD1      LEU   7  -2.608  -0.755  -6.965
   42   2HD1  LEU   7          2HD1      LEU   7  -2.567  -0.532  -5.217
   43   3HD1  LEU   7          3HD1      LEU   7  -1.108  -0.274  -6.173
   44   1HD2  LEU   7          1HD2      LEU   7  -1.551   3.134  -6.738
   45   2HD2  LEU   7          2HD2      LEU   7  -1.301   1.888  -7.960
   46   3HD2  LEU   7          3HD2      LEU   7  -0.477   1.776  -6.405
   47    H    SER   8           H        SER   8  -5.240  -0.730  -7.865
   48    HA   SER   8           HA       SER   8  -6.820  -2.389  -6.384
   49   1HB   SER   8          2HB       SER   8  -5.620  -2.735  -8.689
   50   2HB   SER   8          1HB       SER   8  -4.395  -3.543  -7.711
   51    HG   SER   8           HG       SER   8  -5.762  -5.148  -8.146
   52    H    LYS   9           H        LYS   9  -5.982  -4.520  -5.334
   53    HA   LYS   9           HA       LYS   9  -4.913  -3.922  -2.849
   54   1HB   LYS   9          2HB       LYS   9  -5.281  -6.454  -4.392
   55   2HB   LYS   9          1HB       LYS   9  -4.351  -6.500  -2.900
   56   1HG   LYS   9          2HG       LYS   9  -6.216  -5.713  -1.631
   57   2HG   LYS   9          1HG       LYS   9  -7.146  -5.405  -3.099
   58   1HD   LYS   9          2HD       LYS   9  -7.186  -7.785  -3.597
   59   2HD   LYS   9          1HD       LYS   9  -6.193  -8.116  -2.176
   60   1HE   LYS   9          2HE       LYS   9  -8.220  -8.516  -1.244
   61   2HE   LYS   9          1HE       LYS   9  -8.180  -6.770  -1.001
   62   1HZ   LYS   9          1HZ       LYS   9  -9.425  -8.087  -3.351
   63   2HZ   LYS   9          2HZ       LYS   9  -9.512  -6.450  -2.935
   64   3HZ   LYS   9          3HZ       LYS   9 -10.280  -7.608  -1.971
   65    H    CYS  10           H        CYS  10  -2.919  -3.734  -2.023
   66    HA   CYS  10           HA       CYS  10  -0.655  -4.142  -3.856
   67   1HB   CYS  10          2HB       CYS  10  -1.192  -2.195  -1.654
   68   2HB   CYS  10          1HB       CYS  10   0.476  -2.642  -1.995
   69    H    ALA  11           H        ALA  11   1.379  -4.880  -2.900
   70    HA   ALA  11           HA       ALA  11   2.613  -6.421  -1.766
   71   1HB   ALA  11          1HB       ALA  11   0.874  -5.225   0.304
   72   2HB   ALA  11          2HB       ALA  11   2.633  -5.340   0.223
   73   3HB   ALA  11          3HB       ALA  11   1.679  -6.737   0.725
   74    H    ALA  12           H        ALA  12   2.209  -8.459  -0.141
   75    HA   ALA  12           HA       ALA  12  -0.149  -9.931  -1.064
   76   1HB   ALA  12          1HB       ALA  12   1.276 -10.797  -2.637
   77   2HB   ALA  12          2HB       ALA  12   1.534 -11.932  -1.313
   78   3HB   ALA  12          3HB       ALA  12   2.694 -10.635  -1.603
   79    H    ALA  13           H        ALA  13   0.636  -8.745   1.496
   80    HA   ALA  13           HA       ALA  13  -0.131 -10.834   3.211
   81   1HB   ALA  13          1HB       ALA  13   2.137 -11.660   2.807
   82   2HB   ALA  13          2HB       ALA  13   1.916 -11.177   4.489
   83   3HB   ALA  13          3HB       ALA  13   2.797 -10.127   3.379
   84    H    ALA  14           H        ALA  14  -0.842  -8.130   2.711
   85    HA   ALA  14           HA       ALA  14  -1.494  -6.271   3.848
   86   1HB   ALA  14          1HB       ALA  14  -0.978  -8.230   5.995
   87   2HB   ALA  14          2HB       ALA  14  -2.421  -7.278   5.648
   88   3HB   ALA  14          3HB       ALA  14  -1.056  -6.537   6.482
   89    H    ASN  15           H        ASN  15   1.212  -6.508   2.819
   90    HA   ASN  15           HA       ASN  15   2.954  -5.207   4.709
   91   1HB   ASN  15          2HB       ASN  15   3.228  -6.530   2.173
   92   2HB   ASN  15          1HB       ASN  15   4.002  -4.951   2.091
   93   1HD2  ASN  15          1HD2      ASN  15   6.021  -5.977   1.925
   94   2HD2  ASN  15          2HD2      ASN  15   6.798  -6.657   3.310
   95    H    VAL  16           H        VAL  16   1.566  -3.386   5.169
   96    HA   VAL  16           HA       VAL  16   0.694  -1.517   3.294
   97    HB   VAL  16           HB       VAL  16   1.533  -0.948   6.141
   98   1HG1  VAL  16          1HG1      VAL  16  -0.625   0.649   5.516
   99   2HG1  VAL  16          2HG1      VAL  16   0.340   0.671   4.039
  100   3HG1  VAL  16          3HG1      VAL  16   1.063   1.158   5.572
  101   1HG2  VAL  16          1HG2      VAL  16  -0.377  -1.857   6.910
  102   2HG2  VAL  16          2HG2      VAL  16  -0.320  -2.783   5.409
  103   3HG2  VAL  16          3HG2      VAL  16  -1.313  -1.328   5.512
  104    H    ALA  17           H        ALA  17   3.747  -1.668   5.100
  105    HA   ALA  17           HA       ALA  17   4.817   0.765   4.284
  106   1HB   ALA  17          1HB       ALA  17   5.786  -0.708   6.033
  107   2HB   ALA  17          2HB       ALA  17   6.978  -0.126   4.871
  108   3HB   ALA  17          3HB       ALA  17   6.369  -1.778   4.759
  109    H    ALA  18           H        ALA  18   4.921  -2.401   2.702
  110    HA   ALA  18           HA       ALA  18   6.581  -1.632   0.547
  111   1HB   ALA  18          1HB       ALA  18   5.988  -3.676  -0.468
  112   2HB   ALA  18          2HB       ALA  18   4.443  -3.742   0.380
  113   3HB   ALA  18          3HB       ALA  18   5.947  -3.995   1.266
  114    H    HIS  19           H        HIS  19   3.201  -1.293   1.230
  115    HA   HIS  19           HA       HIS  19   2.392  -0.579  -1.419
  116   1HB   HIS  19          2HB       HIS  19   0.573  -1.361  -0.286
  117   2HB   HIS  19          1HB       HIS  19   1.150  -0.776   1.265
  118    HD2  HIS  19           2HD      HIS  19   0.132   1.587   2.096
  119    HE1  HIS  19           1HE      HIS  19  -2.214   2.342  -1.324
  120    HE2  HIS  19           2HE      HIS  19  -1.597   3.154   0.992
  121    H    MET  20           H        MET  20   2.660   1.311   1.614
  122    HA   MET  20           HA       MET  20   2.232   3.795   0.401
  123   1HB   MET  20          2HB       MET  20   2.214   3.202   2.881
  124   2HB   MET  20          1HB       MET  20   3.956   3.428   2.830
  125   1HG   MET  20          2HG       MET  20   3.801   5.679   2.588
  126   2HG   MET  20          1HG       MET  20   2.265   5.590   1.727
  127   1HE   MET  20          1HE       MET  20   0.768   7.493   3.234
  128   2HE   MET  20          2HE       MET  20  -0.283   6.422   4.159
  129   3HE   MET  20          3HE       MET  20   0.200   5.982   2.522
  130    H    THR  21           H        THR  21   5.098   1.845   0.608
  131    HA   THR  21           HA       THR  21   7.099   3.706   0.202
  132    HB   THR  21           HB       THR  21   7.151   1.084   0.379
  133    HG1  THR  21           1HG      THR  21   9.268   1.153  -0.369
  134   1HG2  THR  21          1HG2      THR  21   7.216  -0.188  -1.478
  135   2HG2  THR  21          2HG2      THR  21   7.820   1.124  -2.492
  136   3HG2  THR  21          3HG2      THR  21   6.110   1.054  -2.065
  137    H    HIS  22           H        HIS  22   4.573   2.663  -1.892
  138    HA   HIS  22           HA       HIS  22   5.529   4.510  -3.963
  139   1HB   HIS  22          2HB       HIS  22   4.646   2.904  -5.676
  140   2HB   HIS  22          1HB       HIS  22   6.055   2.319  -4.794
  141    HD1  HIS  22           1HD      HIS  22   5.796  -0.089  -4.298
  142    HD2  HIS  22           2HD      HIS  22   2.184   1.941  -4.054
  143    HE1  HIS  22           1HE      HIS  22   4.102  -1.807  -3.580
  144    HE2  HIS  22           2HE      HIS  22   1.956  -0.525  -3.324
  145    H    CYS  23           H        CYS  23   3.040   3.698  -1.851
  146    HA   CYS  23           HA       CYS  23   1.039   4.950  -3.611
  147   1HB   CYS  23          2HB       CYS  23   0.828   2.813  -1.528
  148   2HB   CYS  23          1HB       CYS  23  -0.514   3.930  -1.715
  149    H    ALA  24           H        ALA  24   0.746   7.020  -3.171
  150    HA   ALA  24           HA       ALA  24   0.061   7.916  -0.554
  151   1HB   ALA  24          1HB       ALA  24   2.827   8.342  -1.539
  152   2HB   ALA  24          2HB       ALA  24   2.230   8.122   0.106
  153   3HB   ALA  24          3HB       ALA  24   2.040   9.679  -0.700
  154    H    LYS  25           H        LYS  25  -1.192   7.984  -3.062
  155    HA   LYS  25           HA       LYS  25  -1.618  10.848  -3.313
  156   1HB   LYS  25          2HB       LYS  25  -1.412  10.855  -5.739
  157   2HB   LYS  25          1HB       LYS  25   0.103  10.356  -5.002
  158   1HG   LYS  25          2HG       LYS  25  -1.746   8.181  -5.722
  159   2HG   LYS  25          1HG       LYS  25  -1.049   9.086  -7.067
  160   1HD   LYS  25          2HD       LYS  25   1.166   8.722  -5.624
  161   2HD   LYS  25          1HD       LYS  25   0.258   7.307  -5.088
  162   1HE   LYS  25          2HE       LYS  25   0.193   6.383  -7.211
  163   2HE   LYS  25          1HE       LYS  25   0.471   7.932  -8.003
  164   1HZ   LYS  25          1HZ       LYS  25   2.727   7.866  -7.513
  165   2HZ   LYS  25          2HZ       LYS  25   2.380   6.265  -7.933
  166   3HZ   LYS  25          3HZ       LYS  25   2.546   6.693  -6.306
  Start of MODEL    6
    1   1H    ALA   1          1HT       ALA   1  -2.308   4.532   2.810
    2   2H    ALA   1          2HT       ALA   1  -0.675   4.017   2.930
    3   3H    ALA   1          3HT       ALA   1  -1.359   4.999   4.159
    4    HA   ALA   1           HA       ALA   1  -1.097   2.519   4.542
    5   1HB   ALA   1          1HB       ALA   1  -2.190   3.778   6.179
    6   2HB   ALA   1          2HB       ALA   1  -3.368   2.543   5.733
    7   3HB   ALA   1          3HB       ALA   1  -3.529   4.184   5.106
    8    H    VAL   2           H        VAL   2  -1.575   0.592   3.855
    9    HA   VAL   2           HA       VAL   2  -2.808   0.085   1.422
   10    HB   VAL   2           HB       VAL   2  -1.193  -1.362   2.767
   11   1HG1  VAL   2          1HG1      VAL   2  -3.509  -2.880   3.806
   12   2HG1  VAL   2          2HG1      VAL   2  -3.074  -1.404   4.667
   13   3HG1  VAL   2          3HG1      VAL   2  -1.884  -2.690   4.465
   14   1HG2  VAL   2          1HG2      VAL   2  -1.906  -2.172   0.679
   15   2HG2  VAL   2          2HG2      VAL   2  -3.546  -2.470   1.257
   16   3HG2  VAL   2          3HG2      VAL   2  -2.217  -3.493   1.807
   17    H    SER   3           H        SER   3  -4.200   0.494   4.557
   18    HA   SER   3           HA       SER   3  -6.631  -0.913   4.084
   19   1HB   SER   3          2HB       SER   3  -5.567  -0.121   6.338
   20   2HB   SER   3          1HB       SER   3  -6.425   1.385   6.007
   21    HG   SER   3           HG       SER   3  -7.707  -1.137   5.957
   22    H    ALA   4           H        ALA   4  -5.534   2.379   3.567
   23    HA   ALA   4           HA       ALA   4  -8.174   3.085   2.482
   24   1HB   ALA   4          1HB       ALA   4  -6.010   5.087   2.971
   25   2HB   ALA   4          2HB       ALA   4  -6.971   4.473   4.316
   26   3HB   ALA   4          3HB       ALA   4  -7.760   5.305   2.975
   27    H    CYS   5           H        CYS   5  -5.774   1.588   1.228
   28    HA   CYS   5           HA       CYS   5  -4.643   3.167  -0.786
   29   1HB   CYS   5          2HB       CYS   5  -3.771   0.960  -0.230
   30   2HB   CYS   5          1HB       CYS   5  -5.258   0.207  -0.788
   31    H    ALA   6           H        ALA   6  -5.149   3.457  -2.960
   32    HA   ALA   6           HA       ALA   6  -8.002   3.113  -3.591
   33   1HB   ALA   6          1HB       ALA   6  -7.269   4.917  -5.400
   34   2HB   ALA   6          2HB       ALA   6  -6.037   5.253  -4.183
   35   3HB   ALA   6          3HB       ALA   6  -7.746   5.367  -3.762
   36    H    LEU   7           H        LEU   7  -4.744   2.487  -4.669
   37    HA   LEU   7           HA       LEU   7  -5.758   1.295  -7.143
   38   1HB   LEU   7          2HB       LEU   7  -3.555   1.440  -7.999
   39   2HB   LEU   7          1HB       LEU   7  -3.929   2.983  -7.267
   40    HG   LEU   7           HG       LEU   7  -2.703   1.670  -5.204
   41   1HD1  LEU   7          1HD1      LEU   7  -1.886   0.400  -7.698
   42   2HD1  LEU   7          2HD1      LEU   7  -1.644  -0.115  -6.029
   43   3HD1  LEU   7          3HD1      LEU   7  -0.535   1.041  -6.762
   44   1HD2  LEU   7          1HD2      LEU   7  -2.126   3.882  -5.609
   45   2HD2  LEU   7          2HD2      LEU   7  -1.726   3.573  -7.298
   46   3HD2  LEU   7          3HD2      LEU   7  -0.649   3.009  -6.020
   47    H    SER   8           H        SER   8  -6.263  -0.786  -6.930
   48    HA   SER   8           HA       SER   8  -5.538  -2.515  -4.929
   49   1HB   SER   8          2HB       SER   8  -7.175  -2.703  -7.065
   50   2HB   SER   8          1HB       SER   8  -5.859  -3.745  -7.604
   51    HG   SER   8           HG       SER   8  -7.717  -4.134  -5.614
   52    H    LYS   9           H        LYS   9  -4.351  -4.712  -5.493
   53    HA   LYS   9           HA       LYS   9  -2.375  -5.791  -5.803
   54   1HB   LYS   9          2HB       LYS   9  -2.486  -3.896  -8.066
   55   2HB   LYS   9          1HB       LYS   9  -0.887  -4.517  -7.680
   56   1HG   LYS   9          2HG       LYS   9  -2.003  -5.854  -9.390
   57   2HG   LYS   9          1HG       LYS   9  -1.679  -6.793  -7.931
   58   1HD   LYS   9          2HD       LYS   9  -4.292  -5.464  -7.956
   59   2HD   LYS   9          1HD       LYS   9  -4.083  -6.676  -9.222
   60   1HE   LYS   9          2HE       LYS   9  -4.050  -8.389  -7.756
   61   2HE   LYS   9          1HE       LYS   9  -3.147  -7.474  -6.550
   62   1HZ   LYS   9          1HZ       LYS   9  -5.391  -6.206  -6.319
   63   2HZ   LYS   9          2HZ       LYS   9  -5.173  -7.690  -5.538
   64   3HZ   LYS   9          3HZ       LYS   9  -6.048  -7.617  -6.983
   65    H    CYS  10           H        CYS  10  -1.765  -5.128  -3.673
   66    HA   CYS  10           HA       CYS  10   0.691  -3.595  -3.675
   67   1HB   CYS  10          2HB       CYS  10  -1.720  -2.735  -2.070
   68   2HB   CYS  10          1HB       CYS  10  -0.081  -2.207  -1.710
   69    H    ALA  11           H        ALA  11   1.322  -5.851  -3.259
   70    HA   ALA  11           HA       ALA  11   2.130  -7.460  -1.867
   71   1HB   ALA  11          1HB       ALA  11   1.793  -5.128  -0.078
   72   2HB   ALA  11          2HB       ALA  11   3.223  -6.103  -0.418
   73   3HB   ALA  11          3HB       ALA  11   1.992  -6.701   0.695
   74    H    ALA  12           H        ALA  12   1.163  -9.315  -1.383
   75    HA   ALA  12           HA       ALA  12  -1.626  -9.257  -0.498
   76   1HB   ALA  12          1HB       ALA  12  -0.979 -10.560  -2.525
   77   2HB   ALA  12          2HB       ALA  12  -1.790 -11.512  -1.281
   78   3HB   ALA  12          3HB       ALA  12  -0.040 -11.625  -1.478
   79    H    ALA  13           H        ALA  13   0.442  -8.652   1.397
   80    HA   ALA  13           HA       ALA  13  -0.128 -10.762   3.338
   81   1HB   ALA  13          1HB       ALA  13   2.599  -9.893   2.475
   82   2HB   ALA  13          2HB       ALA  13   1.978 -11.519   2.762
   83   3HB   ALA  13          3HB       ALA  13   2.328 -10.455   4.125
   84    H    ALA  14           H        ALA  14  -1.023  -7.971   2.871
   85    HA   ALA  14           HA       ALA  14  -1.541  -6.126   4.093
   86   1HB   ALA  14          1HB       ALA  14  -2.365  -7.342   5.859
   87   2HB   ALA  14          2HB       ALA  14  -1.091  -6.420   6.658
   88   3HB   ALA  14          3HB       ALA  14  -0.810  -8.100   6.204
   89    H    ASN  15           H        ASN  15   1.114  -6.410   2.915
   90    HA   ASN  15           HA       ASN  15   2.965  -5.168   4.746
   91   1HB   ASN  15          2HB       ASN  15   3.460  -6.765   2.724
   92   2HB   ASN  15          1HB       ASN  15   3.406  -5.278   1.782
   93   1HD2  ASN  15          1HD2      ASN  15   5.257  -7.256   3.803
   94   2HD2  ASN  15          2HD2      ASN  15   6.630  -6.220   3.969
   95    H    VAL  16           H        VAL  16   1.739  -3.289   5.294
   96    HA   VAL  16           HA       VAL  16   0.778  -1.402   3.478
   97    HB   VAL  16           HB       VAL  16   1.867  -0.835   6.237
   98   1HG1  VAL  16          1HG1      VAL  16  -0.210   0.851   5.903
   99   2HG1  VAL  16          2HG1      VAL  16   0.380   0.745   4.245
  100   3HG1  VAL  16          3HG1      VAL  16   1.462   1.270   5.534
  101   1HG2  VAL  16          1HG2      VAL  16   0.018  -1.702   7.178
  102   2HG2  VAL  16          2HG2      VAL  16  -0.097  -2.626   5.681
  103   3HG2  VAL  16          3HG2      VAL  16  -1.030  -1.143   5.875
  104    H    ALA  17           H        ALA  17   3.962  -1.672   5.017
  105    HA   ALA  17           HA       ALA  17   5.050   0.723   4.097
  106   1HB   ALA  17          1HB       ALA  17   6.832  -1.647   4.205
  107   2HB   ALA  17          2HB       ALA  17   5.982  -1.204   5.684
  108   3HB   ALA  17          3HB       ALA  17   7.043  -0.037   4.894
  109    H    ALA  18           H        ALA  18   4.903  -2.461   2.556
  110    HA   ALA  18           HA       ALA  18   6.411  -1.778   0.261
  111   1HB   ALA  18          1HB       ALA  18   6.024  -4.096   0.822
  112   2HB   ALA  18          2HB       ALA  18   5.331  -3.763  -0.766
  113   3HB   ALA  18          3HB       ALA  18   4.282  -3.884   0.648
  114    H    HIS  19           H        HIS  19   3.129  -1.269   1.228
  115    HA   HIS  19           HA       HIS  19   2.128  -0.581  -1.367
  116   1HB   HIS  19          2HB       HIS  19   0.380  -1.287  -0.077
  117   2HB   HIS  19          1HB       HIS  19   1.096  -0.693   1.411
  118    HD2  HIS  19           2HD      HIS  19   0.198   1.693   2.286
  119    HE1  HIS  19           1HE      HIS  19  -2.329   2.513  -0.989
  120    HE2  HIS  19           2HE      HIS  19  -1.541   3.315   1.278
  121    H    MET  20           H        MET  20   2.709   1.328   1.608
  122    HA   MET  20           HA       MET  20   2.277   3.818   0.405
  123   1HB   MET  20          2HB       MET  20   2.425   3.262   2.884
  124   2HB   MET  20          1HB       MET  20   4.169   3.382   2.697
  125   1HG   MET  20          2HG       MET  20   3.347   5.699   1.550
  126   2HG   MET  20          1HG       MET  20   2.131   5.480   2.806
  127   1HE   MET  20          1HE       MET  20   3.188   7.769   4.584
  128   2HE   MET  20          2HE       MET  20   3.518   6.588   5.852
  129   3HE   MET  20          3HE       MET  20   2.188   6.323   4.724
  130    H    THR  21           H        THR  21   5.062   1.746   0.386
  131    HA   THR  21           HA       THR  21   7.109   3.510  -0.189
  132    HB   THR  21           HB       THR  21   7.061   0.894  -0.012
  133    HG1  THR  21           1HG      THR  21   9.056   1.528  -0.164
  134   1HG2  THR  21          1HG2      THR  21   7.470   0.853  -2.920
  135   2HG2  THR  21          2HG2      THR  21   5.797   0.945  -2.372
  136   3HG2  THR  21          3HG2      THR  21   6.828  -0.383  -1.840
  137    H    HIS  22           H        HIS  22   4.375   2.580  -2.069
  138    HA   HIS  22           HA       HIS  22   5.233   4.397  -4.209
  139   1HB   HIS  22          2HB       HIS  22   4.115   2.843  -5.838
  140   2HB   HIS  22          1HB       HIS  22   5.576   2.194  -5.095
  141    HD1  HIS  22           1HD      HIS  22   5.269  -0.198  -4.554
  142    HD2  HIS  22           2HD      HIS  22   1.776   1.973  -4.013
  143    HE1  HIS  22           1HE      HIS  22   3.579  -1.846  -3.684
  144    HE2  HIS  22           2HE      HIS  22   1.527  -0.474  -3.224
  145    H    CYS  23           H        CYS  23   2.899   3.664  -1.897
  146    HA   CYS  23           HA       CYS  23   0.813   5.041  -3.451
  147   1HB   CYS  23          2HB       CYS  23   0.690   2.890  -1.372
  148   2HB   CYS  23          1HB       CYS  23  -0.614   4.065  -1.441
  149    H    ALA  24           H        ALA  24   2.843   6.540  -2.303
  150    HA   ALA  24           HA       ALA  24   1.729   7.639   0.169
  151   1HB   ALA  24          1HB       ALA  24   4.234   7.087  -0.239
  152   2HB   ALA  24          2HB       ALA  24   3.798   8.572   0.606
  153   3HB   ALA  24          3HB       ALA  24   4.250   8.627  -1.098
  154    H    LYS  25           H        LYS  25   0.236   8.058  -2.188
  155    HA   LYS  25           HA       LYS  25  -0.003  10.911  -2.108
  156   1HB   LYS  25          2HB       LYS  25   0.341  11.315  -4.500
  157   2HB   LYS  25          1HB       LYS  25   1.809  10.720  -3.739
  158   1HG   LYS  25          2HG       LYS  25   1.043   8.405  -4.561
  159   2HG   LYS  25          1HG       LYS  25  -0.037   9.311  -5.624
  160   1HD   LYS  25          2HD       LYS  25   2.169  10.635  -6.185
  161   2HD   LYS  25          1HD       LYS  25   2.939   9.151  -5.621
  162   1HE   LYS  25          2HE       LYS  25   0.698   8.873  -7.540
  163   2HE   LYS  25          1HE       LYS  25   2.214   9.527  -8.161
  164   1HZ   LYS  25          1HZ       LYS  25   2.685   7.357  -8.420
  165   2HZ   LYS  25          2HZ       LYS  25   1.594   6.845  -7.232
  166   3HZ   LYS  25          3HZ       LYS  25   3.113   7.442  -6.786
  Start of MODEL    7
    1   1H    ALA   1          1HT       ALA   1  -2.382   4.427   2.633
    2   2H    ALA   1          2HT       ALA   1  -0.734   4.014   2.877
    3   3H    ALA   1          3HT       ALA   1  -1.567   4.954   4.046
    4    HA   ALA   1           HA       ALA   1  -1.179   2.469   4.421
    5   1HB   ALA   1          1HB       ALA   1  -2.915   2.493   5.944
    6   2HB   ALA   1          2HB       ALA   1  -3.992   3.380   4.864
    7   3HB   ALA   1          3HB       ALA   1  -2.658   4.216   5.661
    8    H    VAL   2           H        VAL   2  -1.576   0.525   3.725
    9    HA   VAL   2           HA       VAL   2  -2.703   0.002   1.234
   10    HB   VAL   2           HB       VAL   2  -1.061  -1.391   2.595
   11   1HG1  VAL   2          1HG1      VAL   2  -3.474  -2.831   3.627
   12   2HG1  VAL   2          2HG1      VAL   2  -2.748  -1.512   4.546
   13   3HG1  VAL   2          3HG1      VAL   2  -1.795  -2.944   4.155
   14   1HG2  VAL   2          1HG2      VAL   2  -3.317  -2.508   0.974
   15   2HG2  VAL   2          2HG2      VAL   2  -2.080  -3.576   1.638
   16   3HG2  VAL   2          3HG2      VAL   2  -1.626  -2.282   0.529
   17    H    SER   3           H        SER   3  -4.183   0.252   4.356
   18    HA   SER   3           HA       SER   3  -6.547  -1.224   3.755
   19   1HB   SER   3          2HB       SER   3  -5.679   0.624   5.936
   20   2HB   SER   3          1HB       SER   3  -7.401   0.296   5.756
   21    HG   SER   3           HG       SER   3  -5.463  -1.762   5.885
   22    H    ALA   4           H        ALA   4  -5.527   2.094   3.352
   23    HA   ALA   4           HA       ALA   4  -8.179   2.775   2.272
   24   1HB   ALA   4          1HB       ALA   4  -6.185   4.905   2.785
   25   2HB   ALA   4          2HB       ALA   4  -6.896   4.106   4.188
   26   3HB   ALA   4          3HB       ALA   4  -7.935   4.909   3.009
   27    H    CYS   5           H        CYS   5  -5.678   1.432   1.015
   28    HA   CYS   5           HA       CYS   5  -4.559   3.135  -0.892
   29   1HB   CYS   5          2HB       CYS   5  -3.638   0.928  -0.438
   30   2HB   CYS   5          1HB       CYS   5  -5.094   0.165  -1.061
   31    H    ALA   6           H        ALA   6  -5.079   3.668  -2.984
   32    HA   ALA   6           HA       ALA   6  -7.905   3.371  -3.674
   33   1HB   ALA   6          1HB       ALA   6  -7.069   5.068  -5.529
   34   2HB   ALA   6          2HB       ALA   6  -5.777   5.327  -4.356
   35   3HB   ALA   6          3HB       ALA   6  -7.457   5.596  -3.891
   36    H    LEU   7           H        LEU   7  -4.705   2.500  -4.775
   37    HA   LEU   7           HA       LEU   7  -5.830   1.308  -7.202
   38   1HB   LEU   7          2HB       LEU   7  -3.573   1.198  -8.022
   39   2HB   LEU   7          1HB       LEU   7  -3.914   2.822  -7.471
   40    HG   LEU   7           HG       LEU   7  -2.785   1.562  -5.256
   41   1HD1  LEU   7          1HD1      LEU   7  -1.188   0.892  -7.721
   42   2HD1  LEU   7          2HD1      LEU   7  -2.080  -0.275  -6.746
   43   3HD1  LEU   7          3HD1      LEU   7  -0.720   0.601  -6.046
   44   1HD2  LEU   7          1HD2      LEU   7  -2.204   3.757  -5.534
   45   2HD2  LEU   7          2HD2      LEU   7  -1.927   3.579  -7.267
   46   3HD2  LEU   7          3HD2      LEU   7  -0.735   2.974  -6.116
   47    H    SER   8           H        SER   8  -6.595  -0.672  -6.735
   48    HA   SER   8           HA       SER   8  -5.895  -2.398  -4.745
   49   1HB   SER   8          2HB       SER   8  -7.666  -2.516  -6.769
   50   2HB   SER   8          1HB       SER   8  -6.476  -3.677  -7.357
   51    HG   SER   8           HG       SER   8  -8.310  -3.972  -5.416
   52    H    LYS   9           H        LYS   9  -4.798  -4.561  -4.956
   53    HA   LYS   9           HA       LYS   9  -2.913  -5.800  -5.237
   54   1HB   LYS   9          2HB       LYS   9  -2.633  -4.239  -7.811
   55   2HB   LYS   9          1HB       LYS   9  -1.767  -5.713  -7.405
   56   1HG   LYS   9          2HG       LYS   9  -4.761  -5.524  -7.631
   57   2HG   LYS   9          1HG       LYS   9  -3.693  -6.044  -8.935
   58   1HD   LYS   9          2HD       LYS   9  -4.234  -8.080  -8.050
   59   2HD   LYS   9          1HD       LYS   9  -2.814  -7.703  -7.072
   60   1HE   LYS   9          2HE       LYS   9  -4.187  -8.178  -5.352
   61   2HE   LYS   9          1HE       LYS   9  -4.747  -6.525  -5.602
   62   1HZ   LYS   9          1HZ       LYS   9  -5.989  -8.885  -6.900
   63   2HZ   LYS   9          2HZ       LYS   9  -6.585  -7.303  -6.858
   64   3HZ   LYS   9          3HZ       LYS   9  -6.539  -8.225  -5.441
   65    H    CYS  10           H        CYS  10  -1.583  -5.188  -3.625
   66    HA   CYS  10           HA       CYS  10   0.637  -3.474  -4.285
   67   1HB   CYS  10          2HB       CYS  10  -1.469  -2.631  -2.326
   68   2HB   CYS  10          1HB       CYS  10   0.208  -2.172  -2.051
   69    H    ALA  11           H        ALA  11  -1.032  -4.885  -1.467
   70    HA   ALA  11           HA       ALA  11   1.512  -6.181  -0.735
   71   1HB   ALA  11          1HB       ALA  11   1.409  -5.397   1.352
   72   2HB   ALA  11          2HB       ALA  11  -0.314  -5.751   1.493
   73   3HB   ALA  11          3HB       ALA  11   0.219  -4.250   0.737
   74    H    ALA  12           H        ALA  12   1.423  -8.321  -0.773
   75    HA   ALA  12           HA       ALA  12  -1.192  -9.637  -0.767
   76   1HB   ALA  12          1HB       ALA  12   0.870  -9.986  -2.447
   77   2HB   ALA  12          2HB       ALA  12  -0.307 -11.249  -2.082
   78   3HB   ALA  12          3HB       ALA  12   1.249 -11.226  -1.250
   79    H    ALA  13           H        ALA  13   0.096  -8.604   1.680
   80    HA   ALA  13           HA       ALA  13  -0.484 -10.737   3.410
   81   1HB   ALA  13          1HB       ALA  13   2.414 -10.222   3.670
   82   2HB   ALA  13          2HB       ALA  13   1.908 -11.224   2.310
   83   3HB   ALA  13          3HB       ALA  13   1.492 -11.697   3.956
   84    H    ALA  14           H        ALA  14  -1.080  -7.967   3.155
   85    HA   ALA  14           HA       ALA  14  -1.411  -6.148   4.478
   86   1HB   ALA  14          1HB       ALA  14  -1.668  -6.525   6.687
   87   2HB   ALA  14          2HB       ALA  14  -0.074  -7.260   6.856
   88   3HB   ALA  14          3HB       ALA  14  -1.417  -8.207   6.218
   89    H    ASN  15           H        ASN  15   1.060  -6.514   2.964
   90    HA   ASN  15           HA       ASN  15   3.149  -5.301   4.555
   91   1HB   ASN  15          2HB       ASN  15   3.266  -6.959   2.446
   92   2HB   ASN  15          1HB       ASN  15   3.388  -5.421   1.596
   93   1HD2  ASN  15          1HD2      ASN  15   5.510  -6.369   1.049
   94   2HD2  ASN  15          2HD2      ASN  15   6.827  -6.083   2.130
   95    H    VAL  16           H        VAL  16   1.751  -3.438   5.095
   96    HA   VAL  16           HA       VAL  16   0.846  -1.568   3.234
   97    HB   VAL  16           HB       VAL  16   1.842  -0.974   6.021
   98   1HG1  VAL  16          1HG1      VAL  16  -0.247   0.686   5.604
   99   2HG1  VAL  16          2HG1      VAL  16   0.409   0.578   3.970
  100   3HG1  VAL  16          3HG1      VAL  16   1.435   1.123   5.296
  101   1HG2  VAL  16          1HG2      VAL  16  -0.011  -1.873   6.912
  102   2HG2  VAL  16          2HG2      VAL  16  -0.100  -2.781   5.403
  103   3HG2  VAL  16          3HG2      VAL  16  -1.039  -1.301   5.597
  104    H    ALA  17           H        ALA  17   3.975  -1.791   4.899
  105    HA   ALA  17           HA       ALA  17   5.094   0.596   4.041
  106   1HB   ALA  17          1HB       ALA  17   6.849  -1.801   4.113
  107   2HB   ALA  17          2HB       ALA  17   5.998  -1.358   5.592
  108   3HB   ALA  17          3HB       ALA  17   7.086  -0.203   4.821
  109    H    ALA  18           H        ALA  18   5.002  -2.545   2.402
  110    HA   ALA  18           HA       ALA  18   6.540  -1.789   0.156
  111   1HB   ALA  18          1HB       ALA  18   5.498  -3.737  -0.953
  112   2HB   ALA  18          2HB       ALA  18   4.387  -3.891   0.408
  113   3HB   ALA  18          3HB       ALA  18   6.118  -4.124   0.653
  114    H    HIS  19           H        HIS  19   3.256  -1.273   1.085
  115    HA   HIS  19           HA       HIS  19   2.324  -0.478  -1.516
  116   1HB   HIS  19          2HB       HIS  19   0.538  -1.275  -0.335
  117   2HB   HIS  19          1HB       HIS  19   1.192  -0.763   1.210
  118    HD2  HIS  19           2HD      HIS  19   0.275   1.594   2.169
  119    HE1  HIS  19           1HE      HIS  19  -2.201   2.526  -1.114
  120    HE2  HIS  19           2HE      HIS  19  -1.461   3.241   1.197
  121    H    MET  20           H        MET  20   2.748   1.269   1.585
  122    HA   MET  20           HA       MET  20   2.335   3.818   0.520
  123   1HB   MET  20          2HB       MET  20   2.395   3.142   2.956
  124   2HB   MET  20          1HB       MET  20   4.146   3.232   2.845
  125   1HG   MET  20          2HG       MET  20   4.163   5.497   2.725
  126   2HG   MET  20          1HG       MET  20   2.597   5.577   1.921
  127   1HE   MET  20          1HE       MET  20   2.111   7.787   3.698
  128   2HE   MET  20          2HE       MET  20   0.744   7.197   4.641
  129   3HE   MET  20          3HE       MET  20   0.888   6.772   2.935
  130    H    THR  21           H        THR  21   5.177   1.801   0.529
  131    HA   THR  21           HA       THR  21   7.172   3.658   0.079
  132    HB   THR  21           HB       THR  21   6.798   0.894  -1.010
  133    HG1  THR  21           1HG      THR  21   7.203   1.312   1.286
  134   1HG2  THR  21          1HG2      THR  21   9.147   0.835  -1.594
  135   2HG2  THR  21          2HG2      THR  21   9.306   2.539  -1.170
  136   3HG2  THR  21          3HG2      THR  21   8.300   2.060  -2.537
  137    H    HIS  22           H        HIS  22   4.525   2.744  -1.911
  138    HA   HIS  22           HA       HIS  22   5.460   4.586  -3.988
  139   1HB   HIS  22          2HB       HIS  22   4.527   3.053  -5.716
  140   2HB   HIS  22          1HB       HIS  22   5.906   2.374  -4.856
  141    HD1  HIS  22           1HD      HIS  22   5.499  -0.051  -4.569
  142    HD2  HIS  22           2HD      HIS  22   2.052   2.184  -3.981
  143    HE1  HIS  22           1HE      HIS  22   3.734  -1.703  -3.871
  144    HE2  HIS  22           2HE      HIS  22   1.708  -0.301  -3.373
  145    H    CYS  23           H        CYS  23   3.056   3.818  -1.783
  146    HA   CYS  23           HA       CYS  23   1.008   5.140  -3.437
  147   1HB   CYS  23          2HB       CYS  23   0.837   2.935  -1.431
  148   2HB   CYS  23          1HB       CYS  23  -0.478   4.096  -1.484
  149    H    ALA  24           H        ALA  24   0.720   7.194  -2.914
  150    HA   ALA  24           HA       ALA  24   0.163   8.031  -0.261
  151   1HB   ALA  24          1HB       ALA  24   2.808   7.795  -0.564
  152   2HB   ALA  24          2HB       ALA  24   2.066   9.036   0.447
  153   3HB   ALA  24          3HB       ALA  24   2.597   9.431  -1.188
  154    H    LYS  25           H        LYS  25  -1.065   8.218  -2.818
  155    HA   LYS  25           HA       LYS  25  -1.498  11.085  -2.898
  156   1HB   LYS  25          2HB       LYS  25  -1.181  11.270  -5.310
  157   2HB   LYS  25          1HB       LYS  25   0.308  10.758  -4.528
  158   1HG   LYS  25          2HG       LYS  25  -1.509   8.661  -5.587
  159   2HG   LYS  25          1HG       LYS  25  -0.567   9.616  -6.733
  160   1HD   LYS  25          2HD       LYS  25   0.934   8.605  -4.413
  161   2HD   LYS  25          1HD       LYS  25   0.328   7.365  -5.513
  162   1HE   LYS  25          2HE       LYS  25   1.317   9.050  -7.320
  163   2HE   LYS  25          1HE       LYS  25   2.352   9.488  -5.961
  164   1HZ   LYS  25          1HZ       LYS  25   2.908   7.507  -7.629
  165   2HZ   LYS  25          2HZ       LYS  25   2.032   6.642  -6.469
  166   3HZ   LYS  25          3HZ       LYS  25   3.409   7.513  -6.013
  Start of MODEL    8
    1   1H    ALA   1          1HT       ALA   1  -1.301   4.693   4.211
    2   2H    ALA   1          2HT       ALA   1  -2.307   4.362   2.861
    3   3H    ALA   1          3HT       ALA   1  -0.697   3.769   2.901
    4    HA   ALA   1           HA       ALA   1  -1.154   2.230   4.508
    5   1HB   ALA   1          1HB       ALA   1  -2.690   4.083   5.663
    6   2HB   ALA   1          2HB       ALA   1  -2.785   2.371   6.077
    7   3HB   ALA   1          3HB       ALA   1  -3.955   3.075   4.961
    8    H    VAL   2           H        VAL   2  -1.590   0.335   3.725
    9    HA   VAL   2           HA       VAL   2  -2.660  -0.097   1.212
   10    HB   VAL   2           HB       VAL   2  -1.165  -1.600   2.597
   11   1HG1  VAL   2          1HG1      VAL   2  -2.962  -1.619   4.484
   12   2HG1  VAL   2          2HG1      VAL   2  -2.006  -3.067   4.164
   13   3HG1  VAL   2          3HG1      VAL   2  -3.655  -2.945   3.550
   14   1HG2  VAL   2          1HG2      VAL   2  -2.147  -3.698   1.565
   15   2HG2  VAL   2          2HG2      VAL   2  -1.834  -2.357   0.460
   16   3HG2  VAL   2          3HG2      VAL   2  -3.479  -2.684   1.008
   17    H    SER   3           H        SER   3  -4.286   0.273   4.235
   18    HA   SER   3           HA       SER   3  -6.688  -1.096   3.565
   19   1HB   SER   3          2HB       SER   3  -5.880   0.865   5.683
   20   2HB   SER   3          1HB       SER   3  -7.592   0.522   5.435
   21    HG   SER   3           HG       SER   3  -7.265  -1.211   6.557
   22    H    ALA   4           H        ALA   4  -5.533   2.201   3.191
   23    HA   ALA   4           HA       ALA   4  -8.044   2.922   1.841
   24   1HB   ALA   4          1HB       ALA   4  -6.059   5.030   2.389
   25   2HB   ALA   4          2HB       ALA   4  -6.792   4.274   3.804
   26   3HB   ALA   4          3HB       ALA   4  -7.811   5.039   2.586
   27    H    CYS   5           H        CYS   5  -5.618   1.390   0.798
   28    HA   CYS   5           HA       CYS   5  -4.096   2.834  -0.984
   29   1HB   CYS   5          2HB       CYS   5  -3.696   0.482  -0.574
   30   2HB   CYS   5          1HB       CYS   5  -5.244   0.055  -1.294
   31    H    ALA   6           H        ALA   6  -4.339   3.682  -2.982
   32    HA   ALA   6           HA       ALA   6  -7.050   4.127  -3.891
   33   1HB   ALA   6          1HB       ALA   6  -4.498   5.137  -5.131
   34   2HB   ALA   6          2HB       ALA   6  -5.325   5.933  -3.794
   35   3HB   ALA   6          3HB       ALA   6  -6.129   5.770  -5.355
   36    H    LEU   7           H        LEU   7  -4.239   2.282  -4.885
   37    HA   LEU   7           HA       LEU   7  -5.614   1.508  -7.355
   38   1HB   LEU   7          2HB       LEU   7  -3.359   0.344  -7.795
   39   2HB   LEU   7          1HB       LEU   7  -3.459   2.085  -7.943
   40    HG   LEU   7           HG       LEU   7  -2.676   1.247  -5.266
   41   1HD1  LEU   7          1HD1      LEU   7  -1.634  -0.614  -6.353
   42   2HD1  LEU   7          2HD1      LEU   7  -0.387   0.561  -5.935
   43   3HD1  LEU   7          3HD1      LEU   7  -0.959   0.434  -7.600
   44   1HD2  LEU   7          1HD2      LEU   7  -2.231   3.446  -5.619
   45   2HD2  LEU   7          2HD2      LEU   7  -1.892   3.216  -7.334
   46   3HD2  LEU   7          3HD2      LEU   7  -0.681   2.775  -6.130
   47    H    SER   8           H        SER   8  -4.874  -0.923  -7.937
   48    HA   SER   8           HA       SER   8  -6.485  -2.633  -6.568
   49   1HB   SER   8          2HB       SER   8  -4.033  -3.095  -8.229
   50   2HB   SER   8          1HB       SER   8  -4.824  -4.459  -7.439
   51    HG   SER   8           HG       SER   8  -5.689  -2.873  -9.547
   52    H    LYS   9           H        LYS   9  -5.815  -4.641  -5.330
   53    HA   LYS   9           HA       LYS   9  -4.794  -3.928  -2.838
   54   1HB   LYS   9          2HB       LYS   9  -5.435  -6.498  -4.195
   55   2HB   LYS   9          1HB       LYS   9  -4.457  -6.574  -2.736
   56   1HG   LYS   9          2HG       LYS   9  -6.161  -5.883  -1.388
   57   2HG   LYS   9          1HG       LYS   9  -6.945  -4.955  -2.667
   58   1HD   LYS   9          2HD       LYS   9  -7.607  -7.084  -3.746
   59   2HD   LYS   9          1HD       LYS   9  -6.907  -7.959  -2.383
   60   1HE   LYS   9          2HE       LYS   9  -8.507  -6.259  -1.057
   61   2HE   LYS   9          1HE       LYS   9  -9.413  -6.402  -2.563
   62   1HZ   LYS   9          1HZ       LYS   9  -8.465  -8.892  -1.401
   63   2HZ   LYS   9          2HZ       LYS   9  -9.941  -8.538  -2.147
   64   3HZ   LYS   9          3HZ       LYS   9  -9.679  -8.091  -0.537
   65    H    CYS  10           H        CYS  10  -2.793  -3.228  -2.480
   66    HA   CYS  10           HA       CYS  10  -0.554  -4.087  -4.057
   67   1HB   CYS  10          2HB       CYS  10  -0.876  -2.256  -1.693
   68   2HB   CYS  10          1HB       CYS  10   0.719  -2.696  -2.294
   69    H    ALA  11           H        ALA  11   1.163  -5.368  -3.447
   70    HA   ALA  11           HA       ALA  11   2.231  -7.094  -2.417
   71   1HB   ALA  11          1HB       ALA  11   2.423  -5.345  -0.632
   72   2HB   ALA  11          2HB       ALA  11   2.489  -7.009  -0.050
   73   3HB   ALA  11          3HB       ALA  11   1.009  -6.067   0.137
   74    H    ALA  12           H        ALA  12   1.629  -8.787  -0.374
   75    HA   ALA  12           HA       ALA  12  -1.103  -9.716  -0.664
   76   1HB   ALA  12          1HB       ALA  12  -0.163 -10.756  -2.592
   77   2HB   ALA  12          2HB       ALA  12  -0.350 -12.002  -1.358
   78   3HB   ALA  12          3HB       ALA  12   1.240 -11.312  -1.679
   79    H    ALA  13           H        ALA  13   0.464  -8.737   1.530
   80    HA   ALA  13           HA       ALA  13  -0.044 -10.845   3.406
   81   1HB   ALA  13          1HB       ALA  13   2.138 -11.573   2.636
   82   2HB   ALA  13          2HB       ALA  13   2.240 -10.991   4.298
   83   3HB   ALA  13          3HB       ALA  13   2.811  -9.978   2.973
   84    H    ALA  14           H        ALA  14  -0.829  -8.067   2.898
   85    HA   ALA  14           HA       ALA  14  -1.348  -6.206   4.096
   86   1HB   ALA  14          1HB       ALA  14  -0.679  -6.496   6.680
   87   2HB   ALA  14          2HB       ALA  14  -0.682  -8.187   6.179
   88   3HB   ALA  14          3HB       ALA  14  -2.129  -7.203   5.968
   89    H    ASN  15           H        ASN  15   1.260  -6.494   2.837
   90    HA   ASN  15           HA       ASN  15   3.175  -5.216   4.571
   91   1HB   ASN  15          2HB       ASN  15   3.438  -6.780   2.370
   92   2HB   ASN  15          1HB       ASN  15   3.645  -5.187   1.650
   93   1HD2  ASN  15          1HD2      ASN  15   4.867  -3.909   3.826
   94   2HD2  ASN  15          2HD2      ASN  15   6.447  -4.579   4.029
   95    H    VAL  16           H        VAL  16   1.733  -3.413   5.102
   96    HA   VAL  16           HA       VAL  16   0.825  -1.524   3.265
   97    HB   VAL  16           HB       VAL  16   1.708  -0.978   6.100
   98   1HG1  VAL  16          1HG1      VAL  16  -0.440   0.620   5.608
   99   2HG1  VAL  16          2HG1      VAL  16   0.362   0.611   4.036
  100   3HG1  VAL  16          3HG1      VAL  16   1.244   1.128   5.474
  101   1HG2  VAL  16          1HG2      VAL  16  -0.158  -1.941   6.897
  102   2HG2  VAL  16          2HG2      VAL  16  -0.150  -2.824   5.370
  103   3HG2  VAL  16          3HG2      VAL  16  -1.145  -1.379   5.549
  104    H    ALA  17           H        ALA  17   3.903  -1.674   5.030
  105    HA   ALA  17           HA       ALA  17   4.950   0.772   4.236
  106   1HB   ALA  17          1HB       ALA  17   7.209  -0.470   4.461
  107   2HB   ALA  17          2HB       ALA  17   6.222  -1.834   4.985
  108   3HB   ALA  17          3HB       ALA  17   6.175  -0.317   5.883
  109    H    ALA  18           H        ALA  18   5.053  -2.360   2.586
  110    HA   ALA  18           HA       ALA  18   6.660  -1.510   0.413
  111   1HB   ALA  18          1HB       ALA  18   4.642  -3.615  -0.081
  112   2HB   ALA  18          2HB       ALA  18   5.788  -3.915   1.225
  113   3HB   ALA  18          3HB       ALA  18   6.375  -3.604  -0.409
  114    H    HIS  19           H        HIS  19   3.320  -1.194   1.208
  115    HA   HIS  19           HA       HIS  19   2.429  -0.481  -1.427
  116   1HB   HIS  19          2HB       HIS  19   0.657  -1.360  -0.291
  117   2HB   HIS  19          1HB       HIS  19   1.240  -0.800   1.268
  118    HD2  HIS  19           2HD      HIS  19   0.152   1.497   2.188
  119    HE1  HIS  19           1HE      HIS  19  -2.259   2.280  -1.181
  120    HE2  HIS  19           2HE      HIS  19  -1.641   3.040   1.151
  121    H    MET  20           H        MET  20   2.687   1.330   1.654
  122    HA   MET  20           HA       MET  20   2.148   3.835   0.529
  123   1HB   MET  20          2HB       MET  20   2.183   3.185   2.984
  124   2HB   MET  20          1HB       MET  20   3.923   3.421   2.918
  125   1HG   MET  20          2HG       MET  20   3.756   5.677   2.760
  126   2HG   MET  20          1HG       MET  20   2.214   5.613   1.907
  127   1HE   MET  20          1HE       MET  20   1.394   7.461   2.948
  128   2HE   MET  20          2HE       MET  20   0.861   7.655   4.618
  129   3HE   MET  20          3HE       MET  20  -0.058   6.635   3.511
  130    H    THR  21           H        THR  21   5.085   1.979   0.614
  131    HA   THR  21           HA       THR  21   7.020   3.912   0.241
  132    HB   THR  21           HB       THR  21   7.168   1.300   0.311
  133    HG1  THR  21           1HG      THR  21   9.247   1.454  -0.543
  134   1HG2  THR  21          1HG2      THR  21   7.307   0.104  -1.628
  135   2HG2  THR  21          2HG2      THR  21   7.611   1.532  -2.617
  136   3HG2  THR  21          3HG2      THR  21   5.987   1.210  -2.010
  137    H    HIS  22           H        HIS  22   4.489   2.878  -1.849
  138    HA   HIS  22           HA       HIS  22   5.335   4.848  -3.854
  139   1HB   HIS  22          2HB       HIS  22   4.473   3.291  -5.619
  140   2HB   HIS  22          1HB       HIS  22   5.912   2.706  -4.787
  141    HD1  HIS  22           1HD      HIS  22   5.723   0.272  -4.396
  142    HD2  HIS  22           2HD      HIS  22   2.069   2.195  -3.997
  143    HE1  HIS  22           1HE      HIS  22   4.088  -1.517  -3.719
  144    HE2  HIS  22           2HE      HIS  22   1.930  -0.294  -3.327
  145    H    CYS  23           H        CYS  23   2.917   3.825  -1.741
  146    HA   CYS  23           HA       CYS  23   0.833   5.092  -3.388
  147   1HB   CYS  23          2HB       CYS  23   0.751   2.864  -1.393
  148   2HB   CYS  23          1HB       CYS  23  -0.634   3.938  -1.499
  149    H    ALA  24           H        ALA  24   2.654   6.708  -2.062
  150    HA   ALA  24           HA       ALA  24   1.288   7.633   0.356
  151   1HB   ALA  24          1HB       ALA  24   3.913   7.326  -0.081
  152   2HB   ALA  24          2HB       ALA  24   3.256   8.515   1.044
  153   3HB   ALA  24          3HB       ALA  24   3.730   9.008  -0.582
  154    H    LYS  25           H        LYS  25  -0.050   8.011  -2.110
  155    HA   LYS  25           HA       LYS  25  -0.357  10.894  -2.028
  156   1HB   LYS  25          2HB       LYS  25  -0.164  11.182  -4.446
  157   2HB   LYS  25          1HB       LYS  25   1.342  10.577  -3.770
  158   1HG   LYS  25          2HG       LYS  25   0.199   8.250  -4.424
  159   2HG   LYS  25          1HG       LYS  25  -0.558   9.294  -5.628
  160   1HD   LYS  25          2HD       LYS  25   2.341   9.666  -5.281
  161   2HD   LYS  25          1HD       LYS  25   1.855   8.102  -5.940
  162   1HE   LYS  25          2HE       LYS  25   0.306   9.724  -7.418
  163   2HE   LYS  25          1HE       LYS  25   1.664  10.807  -7.114
  164   1HZ   LYS  25          1HZ       LYS  25   3.158   9.239  -8.076
  165   2HZ   LYS  25          2HZ       LYS  25   1.881   9.460  -9.162
  166   3HZ   LYS  25          3HZ       LYS  25   1.948   8.064  -8.210
  Start of MODEL    9
    1   1H    ALA   1          1HT       ALA   1  -0.731   3.755   2.824
    2   2H    ALA   1          2HT       ALA   1  -1.200   4.674   4.196
    3   3H    ALA   1          3HT       ALA   1  -2.308   4.423   2.909
    4    HA   ALA   1           HA       ALA   1  -1.151   2.240   4.497
    5   1HB   ALA   1          1HB       ALA   1  -2.312   3.263   6.177
    6   2HB   ALA   1          2HB       ALA   1  -3.618   2.332   5.444
    7   3HB   ALA   1          3HB       ALA   1  -3.442   4.046   5.072
    8    H    VAL   2           H        VAL   2  -1.612   0.349   3.716
    9    HA   VAL   2           HA       VAL   2  -2.703  -0.075   1.211
   10    HB   VAL   2           HB       VAL   2  -1.220  -1.593   2.598
   11   1HG1  VAL   2          1HG1      VAL   2  -3.856  -2.627   3.635
   12   2HG1  VAL   2          2HG1      VAL   2  -2.715  -1.663   4.574
   13   3HG1  VAL   2          3HG1      VAL   2  -2.249  -3.260   3.990
   14   1HG2  VAL   2          1HG2      VAL   2  -2.213  -3.677   1.561
   15   2HG2  VAL   2          2HG2      VAL   2  -1.911  -2.335   0.457
   16   3HG2  VAL   2          3HG2      VAL   2  -3.550  -2.662   1.018
   17    H    SER   3           H        SER   3  -4.307   0.316   4.244
   18    HA   SER   3           HA       SER   3  -6.730  -1.021   3.587
   19   1HB   SER   3          2HB       SER   3  -5.797   0.803   5.737
   20   2HB   SER   3          1HB       SER   3  -7.537   0.747   5.452
   21    HG   SER   3           HG       SER   3  -7.593  -1.314   6.065
   22    H    ALA   4           H        ALA   4  -5.533   2.260   3.207
   23    HA   ALA   4           HA       ALA   4  -8.042   3.018   1.876
   24   1HB   ALA   4          1HB       ALA   4  -6.020   5.096   2.408
   25   2HB   ALA   4          2HB       ALA   4  -6.754   4.352   3.829
   26   3HB   ALA   4          3HB       ALA   4  -7.771   5.131   2.618
   27    H    CYS   5           H        CYS   5  -5.643   1.452   0.816
   28    HA   CYS   5           HA       CYS   5  -4.119   2.878  -0.980
   29   1HB   CYS   5          2HB       CYS   5  -3.737   0.523  -0.566
   30   2HB   CYS   5          1HB       CYS   5  -5.294   0.109  -1.274
   31    H    ALA   6           H        ALA   6  -4.366   3.706  -2.991
   32    HA   ALA   6           HA       ALA   6  -7.084   4.168  -3.879
   33   1HB   ALA   6          1HB       ALA   6  -5.636   5.458  -5.713
   34   2HB   ALA   6          2HB       ALA   6  -4.435   5.362  -4.425
   35   3HB   ALA   6          3HB       ALA   6  -5.992   6.136  -4.124
   36    H    LEU   7           H        LEU   7  -4.286   2.311  -4.878
   37    HA   LEU   7           HA       LEU   7  -5.670   1.544  -7.348
   38   1HB   LEU   7          2HB       LEU   7  -3.420   0.375  -7.797
   39   2HB   LEU   7          1HB       LEU   7  -3.512   2.117  -7.937
   40    HG   LEU   7           HG       LEU   7  -2.729   1.273  -5.265
   41   1HD1  LEU   7          1HD1      LEU   7  -1.746  -0.606  -6.471
   42   2HD1  LEU   7          2HD1      LEU   7  -0.503   0.481  -5.850
   43   3HD1  LEU   7          3HD1      LEU   7  -0.932   0.517  -7.561
   44   1HD2  LEU   7          1HD2      LEU   7  -1.930   3.229  -7.339
   45   2HD2  LEU   7          2HD2      LEU   7  -0.717   2.775  -6.141
   46   3HD2  LEU   7          3HD2      LEU   7  -2.255   3.464  -5.621
   47    H    SER   8           H        SER   8  -4.937  -0.889  -7.932
   48    HA   SER   8           HA       SER   8  -6.547  -2.591  -6.548
   49   1HB   SER   8          2HB       SER   8  -5.621  -3.188  -8.709
   50   2HB   SER   8          1HB       SER   8  -3.999  -3.274  -8.025
   51    HG   SER   8           HG       SER   8  -5.503  -5.272  -8.284
   52    H    LYS   9           H        LYS   9  -5.835  -4.629  -5.349
   53    HA   LYS   9           HA       LYS   9  -4.823  -3.941  -2.852
   54   1HB   LYS   9          2HB       LYS   9  -6.119  -6.089  -3.805
   55   2HB   LYS   9          1HB       LYS   9  -4.494  -6.757  -3.729
   56   1HG   LYS   9          2HG       LYS   9  -4.355  -6.390  -1.394
   57   2HG   LYS   9          1HG       LYS   9  -5.817  -5.403  -1.395
   58   1HD   LYS   9          2HD       LYS   9  -5.859  -8.275  -2.269
   59   2HD   LYS   9          1HD       LYS   9  -6.004  -7.825  -0.569
   60   1HE   LYS   9          2HE       LYS   9  -7.980  -6.542  -1.015
   61   2HE   LYS   9          1HE       LYS   9  -7.787  -6.764  -2.754
   62   1HZ   LYS   9          1HZ       LYS   9  -8.031  -9.206  -2.311
   63   2HZ   LYS   9          2HZ       LYS   9  -9.425  -8.284  -2.051
   64   3HZ   LYS   9          3HZ       LYS   9  -8.504  -8.810  -0.735
   65    H    CYS  10           H        CYS  10  -2.840  -3.362  -2.302
   66    HA   CYS  10           HA       CYS  10  -0.571  -4.129  -3.943
   67   1HB   CYS  10          2HB       CYS  10  -0.942  -2.222  -1.645
   68   2HB   CYS  10          1HB       CYS  10   0.661  -2.645  -2.235
   69    H    ALA  11           H        ALA  11   1.415  -4.954  -2.955
   70    HA   ALA  11           HA       ALA  11   2.556  -6.550  -1.804
   71   1HB   ALA  11          1HB       ALA  11   1.582  -6.784   0.686
   72   2HB   ALA  11          2HB       ALA  11   0.883  -5.229   0.238
   73   3HB   ALA  11          3HB       ALA  11   2.630  -5.460   0.175
   74    H    ALA  12           H        ALA  12   2.033  -8.541  -0.149
   75    HA   ALA  12           HA       ALA  12  -0.405  -9.894  -1.033
   76   1HB   ALA  12          1HB       ALA  12   2.383 -10.762  -1.638
   77   2HB   ALA  12          2HB       ALA  12   0.943 -10.809  -2.655
   78   3HB   ALA  12          3HB       ALA  12   1.141 -11.980  -1.352
   79    H    ALA  13           H        ALA  13   0.511  -8.761   1.505
   80    HA   ALA  13           HA       ALA  13  -0.305 -10.822   3.234
   81   1HB   ALA  13          1HB       ALA  13   1.691 -11.943   3.158
   82   2HB   ALA  13          2HB       ALA  13   2.000 -10.836   4.496
   83   3HB   ALA  13          3HB       ALA  13   2.632 -10.476   2.890
   84    H    ALA  14           H        ALA  14  -0.921  -8.092   2.772
   85    HA   ALA  14           HA       ALA  14  -1.479  -6.228   3.949
   86   1HB   ALA  14          1HB       ALA  14  -1.676  -6.343   6.302
   87   2HB   ALA  14          2HB       ALA  14  -0.444  -7.598   6.419
   88   3HB   ALA  14          3HB       ALA  14  -2.013  -7.967   5.703
   89    H    ASN  15           H        ASN  15   1.157  -6.523   2.770
   90    HA   ASN  15           HA       ASN  15   3.034  -5.271   4.563
   91   1HB   ASN  15          2HB       ASN  15   3.133  -6.588   2.010
   92   2HB   ASN  15          1HB       ASN  15   3.937  -5.027   1.889
   93   1HD2  ASN  15          1HD2      ASN  15   5.239  -4.619   4.085
   94   2HD2  ASN  15          2HD2      ASN  15   6.341  -5.895   4.461
   95    H    VAL  16           H        VAL  16   1.672  -3.434   5.095
   96    HA   VAL  16           HA       VAL  16   0.773  -1.536   3.259
   97    HB   VAL  16           HB       VAL  16   1.690  -0.992   6.083
   98   1HG1  VAL  16          1HG1      VAL  16   1.225   1.114   5.464
   99   2HG1  VAL  16          2HG1      VAL  16  -0.461   0.614   5.597
  100   3HG1  VAL  16          3HG1      VAL  16   0.343   0.599   4.027
  101   1HG2  VAL  16          1HG2      VAL  16  -0.999  -1.207   6.250
  102   2HG2  VAL  16          2HG2      VAL  16   0.120  -2.525   6.595
  103   3HG2  VAL  16          3HG2      VAL  16  -0.653  -2.416   5.014
  104    H    ALA  17           H        ALA  17   3.864  -1.744   4.993
  105    HA   ALA  17           HA       ALA  17   4.943   0.687   4.190
  106   1HB   ALA  17          1HB       ALA  17   6.103  -1.918   5.046
  107   2HB   ALA  17          2HB       ALA  17   6.241  -0.322   5.786
  108   3HB   ALA  17          3HB       ALA  17   7.179  -0.710   4.343
  109    H    ALA  18           H        ALA  18   4.979  -2.451   2.549
  110    HA   ALA  18           HA       ALA  18   6.587  -1.635   0.363
  111   1HB   ALA  18          1HB       ALA  18   6.157  -3.702  -0.551
  112   2HB   ALA  18          2HB       ALA  18   4.491  -3.732   0.028
  113   3HB   ALA  18          3HB       ALA  18   5.821  -4.022   1.150
  114    H    HIS  19           H        HIS  19   3.259  -1.255   1.182
  115    HA   HIS  19           HA       HIS  19   2.364  -0.534  -1.451
  116   1HB   HIS  19          2HB       HIS  19   0.585  -1.383  -0.304
  117   2HB   HIS  19          1HB       HIS  19   1.185  -0.831   1.251
  118    HD2  HIS  19           2HD      HIS  19   0.141   1.485   2.173
  119    HE1  HIS  19           1HE      HIS  19  -2.283   2.298  -1.179
  120    HE2  HIS  19           2HE      HIS  19  -1.636   3.054   1.147
  121    H    MET  20           H        MET  20   2.670   1.277   1.626
  122    HA   MET  20           HA       MET  20   2.165   3.788   0.500
  123   1HB   MET  20          2HB       MET  20   2.202   3.143   2.955
  124   2HB   MET  20          1HB       MET  20   3.946   3.348   2.879
  125   1HG   MET  20          2HG       MET  20   3.094   5.674   1.783
  126   2HG   MET  20          1HG       MET  20   1.806   5.347   2.941
  127   1HE   MET  20          1HE       MET  20   2.638   5.983   6.042
  128   2HE   MET  20          2HE       MET  20   3.664   4.549   6.062
  129   3HE   MET  20          3HE       MET  20   2.165   4.547   5.134
  130    H    THR  21           H        THR  21   5.074   1.888   0.573
  131    HA   THR  21           HA       THR  21   7.035   3.790   0.185
  132    HB   THR  21           HB       THR  21   7.145   1.177   0.259
  133    HG1  THR  21           1HG      THR  21   8.906   2.643  -1.404
  134   1HG2  THR  21          1HG2      THR  21   7.133  -0.041  -1.634
  135   2HG2  THR  21          2HG2      THR  21   7.667   1.308  -2.639
  136   3HG2  THR  21          3HG2      THR  21   5.981   1.200  -2.128
  137    H    HIS  22           H        HIS  22   4.477   2.790  -1.890
  138    HA   HIS  22           HA       HIS  22   5.341   4.741  -3.904
  139   1HB   HIS  22          2HB       HIS  22   4.451   3.193  -5.661
  140   2HB   HIS  22          1HB       HIS  22   5.882   2.586  -4.831
  141    HD1  HIS  22           1HD      HIS  22   5.650   0.154  -4.443
  142    HD2  HIS  22           2HD      HIS  22   2.034   2.146  -4.022
  143    HE1  HIS  22           1HE      HIS  22   3.986  -1.604  -3.754
  144    HE2  HIS  22           2HE      HIS  22   1.853  -0.340  -3.350
  145    H    CYS  23           H        CYS  23   2.920   3.761  -1.775
  146    HA   CYS  23           HA       CYS  23   0.846   5.053  -3.416
  147   1HB   CYS  23          2HB       CYS  23   0.741   2.831  -1.414
  148   2HB   CYS  23          1HB       CYS  23  -0.627   3.926  -1.515
  149    H    ALA  24           H        ALA  24   2.297   6.931  -2.472
  150    HA   ALA  24           HA       ALA  24   1.201   7.755   0.131
  151   1HB   ALA  24          1HB       ALA  24   3.778   7.640  -0.504
  152   2HB   ALA  24          2HB       ALA  24   3.132   8.869   0.582
  153   3HB   ALA  24          3HB       ALA  24   3.435   9.260  -1.111
  154    H    LYS  25           H        LYS  25  -0.381   7.940  -2.222
  155    HA   LYS  25           HA       LYS  25  -0.939  10.787  -2.165
  156   1HB   LYS  25          2HB       LYS  25  -0.974  11.037  -4.590
  157   2HB   LYS  25          1HB       LYS  25   0.629  10.564  -4.045
  158   1HG   LYS  25          2HG       LYS  25  -1.241   8.418  -4.881
  159   2HG   LYS  25          1HG       LYS  25  -0.528   9.438  -6.132
  160   1HD   LYS  25          2HD       LYS  25   1.352   8.446  -4.097
  161   2HD   LYS  25          1HD       LYS  25   0.639   7.206  -5.132
  162   1HE   LYS  25          2HE       LYS  25   1.621   9.644  -6.482
  163   2HE   LYS  25          1HE       LYS  25   2.848   8.588  -5.781
  164   1HZ   LYS  25          1HZ       LYS  25   1.853   8.255  -8.217
  165   2HZ   LYS  25          2HZ       LYS  25   0.780   7.279  -7.347
  166   3HZ   LYS  25          3HZ       LYS  25   2.442   6.975  -7.279
  Start of MODEL   10
    1   1H    ALA   1          1HT       ALA   1  -0.779   3.745   2.730
    2   2H    ALA   1          2HT       ALA   1  -1.519   4.674   3.968
    3   3H    ALA   1          3HT       ALA   1  -2.411   4.242   2.568
    4    HA   ALA   1           HA       ALA   1  -1.243   2.203   4.306
    5   1HB   ALA   1          1HB       ALA   1  -3.687   3.856   4.783
    6   2HB   ALA   1          2HB       ALA   1  -2.467   3.297   5.928
    7   3HB   ALA   1          3HB       ALA   1  -3.655   2.165   5.282
    8    H    VAL   2           H        VAL   2  -1.603   0.289   3.531
    9    HA   VAL   2           HA       VAL   2  -2.645  -0.206   1.018
   10    HB   VAL   2           HB       VAL   2  -1.110  -1.642   2.436
   11   1HG1  VAL   2          1HG1      VAL   2  -2.592  -1.780   4.403
   12   2HG1  VAL   2          2HG1      VAL   2  -2.104  -3.367   3.809
   13   3HG1  VAL   2          3HG1      VAL   2  -3.721  -2.755   3.461
   14   1HG2  VAL   2          1HG2      VAL   2  -1.695  -2.462   0.313
   15   2HG2  VAL   2          2HG2      VAL   2  -3.359  -2.784   0.800
   16   3HG2  VAL   2          3HG2      VAL   2  -2.047  -3.789   1.420
   17    H    SER   3           H        SER   3  -4.294   0.125   4.036
   18    HA   SER   3           HA       SER   3  -6.653  -1.317   3.347
   19   1HB   SER   3          2HB       SER   3  -5.706  -0.324   5.676
   20   2HB   SER   3          1HB       SER   3  -6.871   0.934   5.265
   21    HG   SER   3           HG       SER   3  -8.414  -0.816   4.994
   22    H    ALA   4           H        ALA   4  -5.558   1.986   2.951
   23    HA   ALA   4           HA       ALA   4  -8.078   2.638   1.574
   24   1HB   ALA   4          1HB       ALA   4  -6.237   4.831   2.273
   25   2HB   ALA   4          2HB       ALA   4  -6.990   3.994   3.630
   26   3HB   ALA   4          3HB       ALA   4  -7.995   4.740   2.389
   27    H    CYS   5           H        CYS   5  -5.563   1.255   0.578
   28    HA   CYS   5           HA       CYS   5  -4.020   2.822  -1.075
   29   1HB   CYS   5          2HB       CYS   5  -3.530   0.482  -0.765
   30   2HB   CYS   5          1HB       CYS   5  -5.049   0.017  -1.520
   31    H    ALA   6           H        ALA   6  -4.339   3.979  -2.855
   32    HA   ALA   6           HA       ALA   6  -6.908   4.511  -3.848
   33   1HB   ALA   6          1HB       ALA   6  -4.336   5.041  -5.317
   34   2HB   ALA   6          2HB       ALA   6  -4.900   6.019  -3.962
   35   3HB   ALA   6          3HB       ALA   6  -5.858   5.923  -5.439
   36    H    LEU   7           H        LEU   7  -4.397   2.298  -4.946
   37    HA   LEU   7           HA       LEU   7  -6.119   1.482  -7.172
   38   1HB   LEU   7          2HB       LEU   7  -4.073   0.271  -7.967
   39   2HB   LEU   7          1HB       LEU   7  -3.968   2.018  -7.969
   40    HG   LEU   7           HG       LEU   7  -2.873   1.520  -5.566
   41   1HD1  LEU   7          1HD1      LEU   7  -2.799  -1.012  -7.044
   42   2HD1  LEU   7          2HD1      LEU   7  -2.629  -0.697  -5.318
   43   3HD1  LEU   7          3HD1      LEU   7  -1.247  -0.485  -6.393
   44   1HD2  LEU   7          1HD2      LEU   7  -1.691   2.874  -7.022
   45   2HD2  LEU   7          2HD2      LEU   7  -1.685   1.664  -8.304
   46   3HD2  LEU   7          3HD2      LEU   7  -0.648   1.458  -6.893
   47    H    SER   8           H        SER   8  -5.629  -0.998  -7.696
   48    HA   SER   8           HA       SER   8  -7.028  -2.505  -5.872
   49   1HB   SER   8          2HB       SER   8  -6.137  -2.949  -8.377
   50   2HB   SER   8          1HB       SER   8  -5.022  -3.978  -7.479
   51    HG   SER   8           HG       SER   8  -6.615  -5.346  -7.496
   52    H    LYS   9           H        LYS   9  -5.898  -4.774  -5.152
   53    HA   LYS   9           HA       LYS   9  -4.509  -4.221  -2.818
   54   1HB   LYS   9          2HB       LYS   9  -4.557  -6.775  -4.433
   55   2HB   LYS   9          1HB       LYS   9  -3.958  -6.650  -2.784
   56   1HG   LYS   9          2HG       LYS   9  -6.031  -6.534  -1.894
   57   2HG   LYS   9          1HG       LYS   9  -6.693  -5.648  -3.268
   58   1HD   LYS   9          2HD       LYS   9  -7.298  -7.531  -4.353
   59   2HD   LYS   9          1HD       LYS   9  -5.856  -8.410  -3.841
   60   1HE   LYS   9          2HE       LYS   9  -6.912  -8.521  -1.540
   61   2HE   LYS   9          1HE       LYS   9  -8.397  -7.945  -2.298
   62   1HZ   LYS   9          1HZ       LYS   9  -7.776 -10.516  -2.046
   63   2HZ   LYS   9          2HZ       LYS   9  -7.121 -10.219  -3.577
   64   3HZ   LYS   9          3HZ       LYS   9  -8.760  -9.918  -3.287
   65    H    CYS  10           H        CYS  10  -2.463  -3.758  -2.350
   66    HA   CYS  10           HA       CYS  10  -0.493  -3.820  -4.505
   67   1HB   CYS  10          2HB       CYS  10  -0.854  -2.259  -2.016
   68   2HB   CYS  10          1HB       CYS  10   0.811  -2.623  -2.460
   69    H    ALA  11           H        ALA  11  -0.432  -4.516  -1.004
   70    HA   ALA  11           HA       ALA  11   1.679  -6.482  -1.476
   71   1HB   ALA  11          1HB       ALA  11   0.600  -5.340   1.099
   72   2HB   ALA  11          2HB       ALA  11   2.083  -4.856   0.278
   73   3HB   ALA  11          3HB       ALA  11   1.945  -6.472   0.969
   74    H    ALA  12           H        ALA  12   1.437  -8.634  -1.176
   75    HA   ALA  12           HA       ALA  12  -1.285  -9.599  -0.695
   76   1HB   ALA  12          1HB       ALA  12   1.109 -10.725  -2.079
   77   2HB   ALA  12          2HB       ALA  12  -0.551 -10.563  -2.653
   78   3HB   ALA  12          3HB       ALA  12  -0.143 -11.812  -1.476
   79    H    ALA  13           H        ALA  13   0.431  -8.672   1.485
   80    HA   ALA  13           HA       ALA  13   0.046 -10.891   3.257
   81   1HB   ALA  13          1HB       ALA  13   2.883  -9.962   2.845
   82   2HB   ALA  13          2HB       ALA  13   2.220 -11.463   2.199
   83   3HB   ALA  13          3HB       ALA  13   2.323 -11.223   3.943
   84    H    ALA  14           H        ALA  14  -0.767  -8.092   2.967
   85    HA   ALA  14           HA       ALA  14  -1.212  -6.311   4.308
   86   1HB   ALA  14          1HB       ALA  14  -1.252  -6.604   6.622
   87   2HB   ALA  14          2HB       ALA  14   0.115  -7.718   6.600
   88   3HB   ALA  14          3HB       ALA  14  -1.456  -8.238   5.989
   89    H    ASN  15           H        ASN  15   1.311  -6.527   2.861
   90    HA   ASN  15           HA       ASN  15   3.294  -5.256   4.542
   91   1HB   ASN  15          2HB       ASN  15   3.567  -6.871   2.423
   92   2HB   ASN  15          1HB       ASN  15   3.619  -5.323   1.585
   93   1HD2  ASN  15          1HD2      ASN  15   5.566  -7.584   2.573
   94   2HD2  ASN  15          2HD2      ASN  15   6.931  -6.671   3.113
   95    H    VAL  16           H        VAL  16   1.764  -3.478   5.055
   96    HA   VAL  16           HA       VAL  16   0.867  -1.616   3.180
   97    HB   VAL  16           HB       VAL  16   1.658  -1.032   6.034
   98   1HG1  VAL  16          1HG1      VAL  16  -0.538   0.485   5.450
   99   2HG1  VAL  16          2HG1      VAL  16   0.341   0.506   3.922
  100   3HG1  VAL  16          3HG1      VAL  16   1.131   1.053   5.402
  101   1HG2  VAL  16          1HG2      VAL  16   0.119  -2.592   6.525
  102   2HG2  VAL  16          2HG2      VAL  16  -0.560  -2.578   4.897
  103   3HG2  VAL  16          3HG2      VAL  16  -1.042  -1.347   6.066
  104    H    ALA  17           H        ALA  17   3.890  -1.701   5.045
  105    HA   ALA  17           HA       ALA  17   4.925   0.759   4.290
  106   1HB   ALA  17          1HB       ALA  17   7.186  -0.689   4.448
  107   2HB   ALA  17          2HB       ALA  17   6.068  -1.789   5.253
  108   3HB   ALA  17          3HB       ALA  17   6.280  -0.147   5.861
  109    H    ALA  18           H        ALA  18   5.123  -2.359   2.616
  110    HA   ALA  18           HA       ALA  18   6.775  -1.482   0.496
  111   1HB   ALA  18          1HB       ALA  18   6.056  -3.485  -0.670
  112   2HB   ALA  18          2HB       ALA  18   4.711  -3.687   0.454
  113   3HB   ALA  18          3HB       ALA  18   6.371  -3.861   1.024
  114    H    HIS  19           H        HIS  19   3.385  -1.248   1.164
  115    HA   HIS  19           HA       HIS  19   2.582  -0.469  -1.471
  116   1HB   HIS  19          2HB       HIS  19   0.777  -1.359  -0.397
  117   2HB   HIS  19          1HB       HIS  19   1.314  -0.820   1.184
  118    HD2  HIS  19           2HD      HIS  19   0.196   1.456   2.106
  119    HE1  HIS  19           1HE      HIS  19  -2.116   2.299  -1.316
  120    HE2  HIS  19           2HE      HIS  19  -1.569   3.014   1.048
  121    H    MET  20           H        MET  20   2.756   1.304   1.637
  122    HA   MET  20           HA       MET  20   2.252   3.820   0.526
  123   1HB   MET  20          2HB       MET  20   2.241   3.124   2.981
  124   2HB   MET  20          1HB       MET  20   3.975   3.408   2.949
  125   1HG   MET  20          2HG       MET  20   3.035   5.704   1.850
  126   2HG   MET  20          1HG       MET  20   1.749   5.308   2.988
  127   1HE   MET  20          1HE       MET  20   2.741   7.920   4.436
  128   2HE   MET  20          2HE       MET  20   2.824   6.990   5.932
  129   3HE   MET  20          3HE       MET  20   1.623   6.584   4.707
  130    H    THR  21           H        THR  21   5.173   1.950   0.652
  131    HA   THR  21           HA       THR  21   7.123   3.883   0.348
  132    HB   THR  21           HB       THR  21   7.251   1.261   0.391
  133    HG1  THR  21           1HG      THR  21   9.042   2.730   0.394
  134   1HG2  THR  21          1HG2      THR  21   7.336   0.082  -1.525
  135   2HG2  THR  21          2HG2      THR  21   7.904   1.454  -2.477
  136   3HG2  THR  21          3HG2      THR  21   6.198   1.323  -2.049
  137    H    HIS  22           H        HIS  22   4.636   2.870  -1.809
  138    HA   HIS  22           HA       HIS  22   5.537   4.852  -3.778
  139   1HB   HIS  22          2HB       HIS  22   4.663   3.309  -5.567
  140   2HB   HIS  22          1HB       HIS  22   6.114   2.740  -4.745
  141    HD1  HIS  22           1HD      HIS  22   5.976   0.311  -4.315
  142    HD2  HIS  22           2HD      HIS  22   2.270   2.153  -3.998
  143    HE1  HIS  22           1HE      HIS  22   4.368  -1.514  -3.668
  144    HE2  HIS  22           2HE      HIS  22   2.166  -0.347  -3.357
  145    H    CYS  23           H        CYS  23   3.074   3.840  -1.718
  146    HA   CYS  23           HA       CYS  23   1.037   5.160  -3.383
  147   1HB   CYS  23          2HB       CYS  23   0.888   2.885  -1.444
  148   2HB   CYS  23          1HB       CYS  23  -0.485   3.974  -1.563
  149    H    ALA  24           H        ALA  24   2.764   6.802  -2.076
  150    HA   ALA  24           HA       ALA  24   1.466   7.623   0.412
  151   1HB   ALA  24          1HB       ALA  24   3.995   7.413   0.150
  152   2HB   ALA  24          2HB       ALA  24   3.379   8.894   0.886
  153   3HB   ALA  24          3HB       ALA  24   3.901   8.897  -0.799
  154    H    LYS  25           H        LYS  25  -0.079   7.976  -1.887
  155    HA   LYS  25           HA       LYS  25  -0.461  10.851  -1.793
  156   1HB   LYS  25          2HB       LYS  25  -0.502  11.130  -4.213
  157   2HB   LYS  25          1HB       LYS  25   1.073  10.547  -3.692
  158   1HG   LYS  25          2HG       LYS  25  -0.870   8.473  -4.461
  159   2HG   LYS  25          1HG       LYS  25  -0.296   9.520  -5.760
  160   1HD   LYS  25          2HD       LYS  25   1.786   8.512  -3.939
  161   2HD   LYS  25          1HD       LYS  25   0.984   7.284  -4.922
  162   1HE   LYS  25          2HE       LYS  25   1.887   9.788  -6.249
  163   2HE   LYS  25          1HE       LYS  25   3.108   8.600  -5.793
  164   1HZ   LYS  25          1HZ       LYS  25   1.800   8.538  -8.100
  165   2HZ   LYS  25          2HZ       LYS  25   0.772   7.562  -7.176
  166   3HZ   LYS  25          3HZ       LYS  25   2.404   7.149  -7.345
  Start of MODEL   11
    1   1H    ALA   1          1HT       ALA   1  -2.279   4.561   2.665
    2   2H    ALA   1          2HT       ALA   1  -0.657   4.045   2.882
    3   3H    ALA   1          3HT       ALA   1  -1.411   5.030   4.067
    4    HA   ALA   1           HA       ALA   1  -1.176   2.545   4.462
    5   1HB   ALA   1          1HB       ALA   1  -2.339   3.669   6.091
    6   2HB   ALA   1          2HB       ALA   1  -3.606   2.629   5.441
    7   3HB   ALA   1          3HB       ALA   1  -3.519   4.321   4.953
    8    H    VAL   2           H        VAL   2  -1.640   0.619   3.760
    9    HA   VAL   2           HA       VAL   2  -2.757   0.127   1.264
   10    HB   VAL   2           HB       VAL   2  -1.207  -1.332   2.670
   11   1HG1  VAL   2          1HG1      VAL   2  -2.641  -1.450   4.661
   12   2HG1  VAL   2          2HG1      VAL   2  -2.235  -3.051   4.041
   13   3HG1  VAL   2          3HG1      VAL   2  -3.832  -2.366   3.739
   14   1HG2  VAL   2          1HG2      VAL   2  -1.816  -2.153   0.564
   15   2HG2  VAL   2          2HG2      VAL   2  -3.494  -2.403   1.045
   16   3HG2  VAL   2          3HG2      VAL   2  -2.230  -3.461   1.673
   17    H    SER   3           H        SER   3  -4.294   0.569   4.318
   18    HA   SER   3           HA       SER   3  -6.694  -0.856   3.773
   19   1HB   SER   3          2HB       SER   3  -5.760   1.069   5.833
   20   2HB   SER   3          1HB       SER   3  -7.504   0.944   5.601
   21    HG   SER   3           HG       SER   3  -7.452  -1.142   6.211
   22    H    ALA   4           H        ALA   4  -5.630   2.462   3.269
   23    HA   ALA   4           HA       ALA   4  -8.205   3.081   1.995
   24   1HB   ALA   4          1HB       ALA   4  -7.207   5.475   2.088
   25   2HB   ALA   4          2HB       ALA   4  -6.097   4.777   3.267
   26   3HB   ALA   4          3HB       ALA   4  -7.835   4.740   3.563
   27    H    CYS   5           H        CYS   5  -5.722   1.607   0.910
   28    HA   CYS   5           HA       CYS   5  -4.496   3.177  -1.058
   29   1HB   CYS   5          2HB       CYS   5  -3.595   1.015  -0.419
   30   2HB   CYS   5          1HB       CYS   5  -5.038   0.204  -1.009
   31    H    ALA   6           H        ALA   6  -4.975   3.655  -3.148
   32    HA   ALA   6           HA       ALA   6  -7.760   3.376  -3.928
   33   1HB   ALA   6          1HB       ALA   6  -6.901   4.790  -5.919
   34   2HB   ALA   6          2HB       ALA   6  -5.449   4.990  -4.938
   35   3HB   ALA   6          3HB       ALA   6  -7.009   5.536  -4.325
   36    H    LEU   7           H        LEU   7  -4.593   2.206  -4.876
   37    HA   LEU   7           HA       LEU   7  -5.793   0.708  -7.093
   38   1HB   LEU   7          2HB       LEU   7  -3.530   0.394  -7.893
   39   2HB   LEU   7          1HB       LEU   7  -3.866   2.094  -7.658
   40    HG   LEU   7           HG       LEU   7  -2.711   1.165  -5.254
   41   1HD1  LEU   7          1HD1      LEU   7  -1.741  -0.735  -6.185
   42   2HD1  LEU   7          2HD1      LEU   7  -0.461   0.476  -6.276
   43   3HD1  LEU   7          3HD1      LEU   7  -1.398   0.074  -7.715
   44   1HD2  LEU   7          1HD2      LEU   7  -0.782   2.627  -6.151
   45   2HD2  LEU   7          2HD2      LEU   7  -2.351   3.377  -5.856
   46   3HD2  LEU   7          3HD2      LEU   7  -1.870   2.956  -7.499
   47    H    SER   8           H        SER   8  -6.691  -1.049  -6.090
   48    HA   SER   8           HA       SER   8  -5.832  -2.490  -3.946
   49   1HB   SER   8          2HB       SER   8  -7.915  -2.779  -5.529
   50   2HB   SER   8          1HB       SER   8  -6.902  -4.002  -6.297
   51    HG   SER   8           HG       SER   8  -8.249  -4.814  -4.584
   52    H    LYS   9           H        LYS   9  -4.858  -4.677  -3.844
   53    HA   LYS   9           HA       LYS   9  -3.097  -6.090  -4.115
   54   1HB   LYS   9          2HB       LYS   9  -3.219  -5.166  -6.992
   55   2HB   LYS   9          1HB       LYS   9  -2.331  -6.566  -6.405
   56   1HG   LYS   9          2HG       LYS   9  -4.737  -7.213  -5.481
   57   2HG   LYS   9          1HG       LYS   9  -5.235  -6.204  -6.841
   58   1HD   LYS   9          2HD       LYS   9  -4.523  -7.698  -8.376
   59   2HD   LYS   9          1HD       LYS   9  -3.106  -8.152  -7.426
   60   1HE   LYS   9          2HE       LYS   9  -4.547 -10.055  -7.564
   61   2HE   LYS   9          1HE       LYS   9  -4.615  -9.435  -5.915
   62   1HZ   LYS   9          1HZ       LYS   9  -6.680  -9.469  -7.975
   63   2HZ   LYS   9          2HZ       LYS   9  -6.642  -8.119  -6.959
   64   3HZ   LYS   9          3HZ       LYS   9  -6.818  -9.666  -6.300
   65    H    CYS  10           H        CYS  10  -1.651  -4.985  -2.815
   66    HA   CYS  10           HA       CYS  10   0.456  -3.558  -4.271
   67   1HB   CYS  10          2HB       CYS  10  -1.228  -2.497  -2.074
   68   2HB   CYS  10          1HB       CYS  10   0.496  -2.151  -1.976
   69    H    ALA  11           H        ALA  11  -0.115  -6.215  -2.686
   70    HA   ALA  11           HA       ALA  11   2.488  -6.801  -1.971
   71   1HB   ALA  11          1HB       ALA  11   0.878  -5.669   0.293
   72   2HB   ALA  11          2HB       ALA  11   2.527  -5.283  -0.197
   73   3HB   ALA  11          3HB       ALA  11   2.177  -6.828   0.579
   74    H    ALA  12           H        ALA  12  -0.895  -7.276  -1.076
   75    HA   ALA  12           HA       ALA  12  -2.157  -9.149  -0.806
   76   1HB   ALA  12          1HB       ALA  12  -1.839 -10.853  -2.292
   77   2HB   ALA  12          2HB       ALA  12  -0.092 -10.890  -2.047
   78   3HB   ALA  12          3HB       ALA  12  -0.817  -9.620  -3.033
   79    H    ALA  13           H        ALA  13  -0.114  -8.392   1.187
   80    HA   ALA  13           HA       ALA  13  -0.280 -10.778   2.793
   81   1HB   ALA  13          1HB       ALA  13   1.881 -10.830   1.295
   82   2HB   ALA  13          2HB       ALA  13   1.931 -11.344   2.982
   83   3HB   ALA  13          3HB       ALA  13   2.496  -9.734   2.533
   84    H    ALA  14           H        ALA  14  -1.151  -7.942   2.820
   85    HA   ALA  14           HA       ALA  14  -1.463  -6.280   4.339
   86   1HB   ALA  14          1HB       ALA  14  -2.048  -7.696   6.042
   87   2HB   ALA  14          2HB       ALA  14  -0.634  -6.915   6.751
   88   3HB   ALA  14          3HB       ALA  14  -0.490  -8.522   6.039
   89    H    ASN  15           H        ASN  15   0.985  -6.388   2.760
   90    HA   ASN  15           HA       ASN  15   3.026  -5.271   4.509
   91   1HB   ASN  15          2HB       ASN  15   3.223  -6.810   2.284
   92   2HB   ASN  15          1HB       ASN  15   3.436  -5.211   1.581
   93   1HD2  ASN  15          1HD2      ASN  15   4.443  -6.674   4.651
   94   2HD2  ASN  15          2HD2      ASN  15   6.125  -6.320   4.464
   95    H    VAL  16           H        VAL  16   1.752  -3.420   5.127
   96    HA   VAL  16           HA       VAL  16   0.802  -1.502   3.305
   97    HB   VAL  16           HB       VAL  16   1.718  -0.990   6.134
   98   1HG1  VAL  16          1HG1      VAL  16  -0.451   0.594   5.682
   99   2HG1  VAL  16          2HG1      VAL  16   0.326   0.596   4.099
  100   3HG1  VAL  16          3HG1      VAL  16   1.227   1.115   5.523
  101   1HG2  VAL  16          1HG2      VAL  16   0.174  -2.557   6.632
  102   2HG2  VAL  16          2HG2      VAL  16  -0.619  -2.427   5.062
  103   3HG2  VAL  16          3HG2      VAL  16  -0.961  -1.243   6.323
  104    H    ALA  17           H        ALA  17   3.893  -1.766   5.027
  105    HA   ALA  17           HA       ALA  17   4.979   0.683   4.275
  106   1HB   ALA  17          1HB       ALA  17   6.376  -1.948   4.762
  107   2HB   ALA  17          2HB       ALA  17   6.047  -0.687   5.950
  108   3HB   ALA  17          3HB       ALA  17   7.188  -0.387   4.640
  109    H    ALA  18           H        ALA  18   4.998  -2.426   2.580
  110    HA   ALA  18           HA       ALA  18   6.619  -1.596   0.414
  111   1HB   ALA  18          1HB       ALA  18   5.350  -3.530  -0.770
  112   2HB   ALA  18          2HB       ALA  18   4.671  -3.834   0.829
  113   3HB   ALA  18          3HB       ALA  18   6.417  -3.902   0.584
  114    H    HIS  19           H        HIS  19   3.280  -1.205   1.216
  115    HA   HIS  19           HA       HIS  19   2.398  -0.423  -1.394
  116   1HB   HIS  19          2HB       HIS  19   0.602  -1.213  -0.233
  117   2HB   HIS  19          1HB       HIS  19   1.229  -0.677   1.317
  118    HD2  HIS  19           2HD      HIS  19   0.278   1.685   2.234
  119    HE1  HIS  19           1HE      HIS  19  -2.144   2.563  -1.105
  120    HE2  HIS  19           2HE      HIS  19  -1.449   3.309   1.211
  121    H    MET  20           H        MET  20   2.772   1.382   1.680
  122    HA   MET  20           HA       MET  20   2.341   3.903   0.550
  123   1HB   MET  20          2HB       MET  20   2.380   3.257   3.008
  124   2HB   MET  20          1HB       MET  20   4.126   3.427   2.917
  125   1HG   MET  20          2HG       MET  20   3.309   5.766   1.819
  126   2HG   MET  20          1HG       MET  20   2.030   5.469   2.994
  127   1HE   MET  20          1HE       MET  20   2.715   6.390   5.889
  128   2HE   MET  20          2HE       MET  20   3.752   5.009   6.247
  129   3HE   MET  20          3HE       MET  20   2.334   4.805   5.216
  130    H    THR  21           H        THR  21   5.187   1.912   0.617
  131    HA   THR  21           HA       THR  21   7.203   3.754   0.204
  132    HB   THR  21           HB       THR  21   7.217   1.129   0.304
  133    HG1  THR  21           1HG      THR  21   9.305   1.220  -0.304
  134   1HG2  THR  21          1HG2      THR  21   7.259  -0.088  -1.607
  135   2HG2  THR  21          2HG2      THR  21   7.749   1.281  -2.604
  136   3HG2  THR  21          3HG2      THR  21   6.075   1.134  -2.067
  137    H    HIS  22           H        HIS  22   4.601   2.816  -1.844
  138    HA   HIS  22           HA       HIS  22   5.524   4.708  -3.888
  139   1HB   HIS  22          2HB       HIS  22   4.569   3.171  -5.622
  140   2HB   HIS  22          1HB       HIS  22   5.990   2.533  -4.796
  141    HD1  HIS  22           1HD      HIS  22   5.693   0.114  -4.383
  142    HD2  HIS  22           2HD      HIS  22   2.135   2.205  -3.950
  143    HE1  HIS  22           1HE      HIS  22   3.989  -1.594  -3.669
  144    HE2  HIS  22           2HE      HIS  22   1.889  -0.274  -3.272
  145    H    CYS  23           H        CYS  23   3.083   3.861  -1.730
  146    HA   CYS  23           HA       CYS  23   1.048   5.189  -3.395
  147   1HB   CYS  23          2HB       CYS  23   0.875   2.998  -1.371
  148   2HB   CYS  23          1HB       CYS  23  -0.451   4.146  -1.457
  149    H    ALA  24           H        ALA  24   0.764   7.246  -2.890
  150    HA   ALA  24           HA       ALA  24   0.252   8.068  -0.196
  151   1HB   ALA  24          1HB       ALA  24   2.553   8.189   0.139
  152   2HB   ALA  24          2HB       ALA  24   2.113   9.842  -0.292
  153   3HB   ALA  24          3HB       ALA  24   2.857   8.786  -1.493
  154    H    LYS  25           H        LYS  25  -1.155   8.130  -2.672
  155    HA   LYS  25           HA       LYS  25  -1.799  10.956  -2.745
  156   1HB   LYS  25          2HB       LYS  25  -1.649  11.136  -5.175
  157   2HB   LYS  25          1HB       LYS  25  -0.079  10.751  -4.483
  158   1HG   LYS  25          2HG       LYS  25  -1.783   8.503  -5.405
  159   2HG   LYS  25          1HG       LYS  25  -1.002   9.516  -6.621
  160   1HD   LYS  25          2HD       LYS  25   0.722   8.653  -4.394
  161   2HD   LYS  25          1HD       LYS  25   0.159   7.364  -5.461
  162   1HE   LYS  25          2HE       LYS  25   0.925   8.865  -7.383
  163   2HE   LYS  25          1HE       LYS  25   1.780   9.797  -6.154
  164   1HZ   LYS  25          1HZ       LYS  25   3.257   8.189  -7.110
  165   2HZ   LYS  25          2HZ       LYS  25   2.180   6.925  -6.791
  166   3HZ   LYS  25          3HZ       LYS  25   2.934   7.735  -5.511
  Start of MODEL   12
    1   1H    ALA   1          1HT       ALA   1  -2.292   4.569   2.676
    2   2H    ALA   1          2HT       ALA   1  -0.669   4.051   2.885
    3   3H    ALA   1          3HT       ALA   1  -1.417   5.037   4.074
    4    HA   ALA   1           HA       ALA   1  -1.182   2.553   4.471
    5   1HB   ALA   1          1HB       ALA   1  -2.358   3.565   6.127
    6   2HB   ALA   1          2HB       ALA   1  -3.689   2.684   5.375
    7   3HB   ALA   1          3HB       ALA   1  -3.441   4.392   5.007
    8    H    VAL   2           H        VAL   2  -1.646   0.626   3.773
    9    HA   VAL   2           HA       VAL   2  -2.763   0.129   1.276
   10    HB   VAL   2           HB       VAL   2  -1.210  -1.325   2.684
   11   1HG1  VAL   2          1HG1      VAL   2  -2.906  -1.369   4.607
   12   2HG1  VAL   2          2HG1      VAL   2  -2.071  -2.870   4.207
   13   3HG1  VAL   2          3HG1      VAL   2  -3.732  -2.614   3.672
   14   1HG2  VAL   2          1HG2      VAL   2  -1.816  -2.152   0.580
   15   2HG2  VAL   2          2HG2      VAL   2  -3.496  -2.399   1.059
   16   3HG2  VAL   2          3HG2      VAL   2  -2.233  -3.457   1.691
   17    H    SER   3           H        SER   3  -4.300   0.582   4.328
   18    HA   SER   3           HA       SER   3  -6.697  -0.852   3.788
   19   1HB   SER   3          2HB       SER   3  -5.772   1.088   5.841
   20   2HB   SER   3          1HB       SER   3  -7.514   0.940   5.614
   21    HG   SER   3           HG       SER   3  -5.678  -1.125   6.254
   22    H    ALA   4           H        ALA   4  -5.637   2.464   3.272
   23    HA   ALA   4           HA       ALA   4  -8.214   3.076   1.997
   24   1HB   ALA   4          1HB       ALA   4  -7.951   5.272   2.559
   25   2HB   ALA   4          2HB       ALA   4  -6.191   5.195   2.487
   26   3HB   ALA   4          3HB       ALA   4  -7.047   4.523   3.874
   27    H    CYS   5           H        CYS   5  -5.730   1.606   0.915
   28    HA   CYS   5           HA       CYS   5  -4.502   3.175  -1.052
   29   1HB   CYS   5          2HB       CYS   5  -3.603   1.013  -0.415
   30   2HB   CYS   5          1HB       CYS   5  -5.048   0.203  -1.005
   31    H    ALA   6           H        ALA   6  -4.975   3.648  -3.146
   32    HA   ALA   6           HA       ALA   6  -7.760   3.369  -3.929
   33   1HB   ALA   6          1HB       ALA   6  -6.829   4.770  -5.936
   34   2HB   ALA   6          2HB       ALA   6  -5.461   5.030  -4.853
   35   3HB   ALA   6          3HB       ALA   6  -7.081   5.523  -4.361
   36    H    LEU   7           H        LEU   7  -4.588   2.213  -4.872
   37    HA   LEU   7           HA       LEU   7  -5.773   0.722  -7.099
   38   1HB   LEU   7          2HB       LEU   7  -3.504   0.415  -7.888
   39   2HB   LEU   7          1HB       LEU   7  -3.847   2.113  -7.650
   40    HG   LEU   7           HG       LEU   7  -2.702   1.177  -5.242
   41   1HD1  LEU   7          1HD1      LEU   7  -1.731  -0.718  -6.196
   42   2HD1  LEU   7          2HD1      LEU   7  -0.449   0.492  -6.235
   43   3HD1  LEU   7          3HD1      LEU   7  -1.355   0.120  -7.702
   44   1HD2  LEU   7          1HD2      LEU   7  -2.347   3.394  -5.829
   45   2HD2  LEU   7          2HD2      LEU   7  -1.858   2.984  -7.473
   46   3HD2  LEU   7          3HD2      LEU   7  -0.774   2.652  -6.122
   47    H    SER   8           H        SER   8  -6.674  -1.038  -6.103
   48    HA   SER   8           HA       SER   8  -5.820  -2.487  -3.962
   49   1HB   SER   8          2HB       SER   8  -6.951  -3.846  -6.402
   50   2HB   SER   8          1HB       SER   8  -7.197  -4.262  -4.707
   51    HG   SER   8           HG       SER   8  -8.766  -2.812  -6.149
   52    H    LYS   9           H        LYS   9  -4.842  -4.671  -3.863
   53    HA   LYS   9           HA       LYS   9  -3.080  -6.082  -4.136
   54   1HB   LYS   9          2HB       LYS   9  -4.216  -5.967  -6.571
   55   2HB   LYS   9          1HB       LYS   9  -2.629  -5.321  -6.966
   56   1HG   LYS   9          2HG       LYS   9  -2.124  -7.485  -7.277
   57   2HG   LYS   9          1HG       LYS   9  -1.909  -7.475  -5.525
   58   1HD   LYS   9          2HD       LYS   9  -4.514  -8.152  -6.880
   59   2HD   LYS   9          1HD       LYS   9  -3.311  -9.359  -6.424
   60   1HE   LYS   9          2HE       LYS   9  -4.516  -9.437  -4.518
   61   2HE   LYS   9          1HE       LYS   9  -3.538  -8.032  -4.098
   62   1HZ   LYS   9          1HZ       LYS   9  -6.300  -8.042  -5.175
   63   2HZ   LYS   9          2HZ       LYS   9  -5.356  -6.644  -5.052
   64   3HZ   LYS   9          3HZ       LYS   9  -5.787  -7.496  -3.657
   65    H    CYS  10           H        CYS  10  -1.640  -4.981  -2.826
   66    HA   CYS  10           HA       CYS  10   0.472  -3.552  -4.269
   67   1HB   CYS  10          2HB       CYS  10  -1.213  -2.498  -2.067
   68   2HB   CYS  10          1HB       CYS  10   0.509  -2.138  -1.985
   69    H    ALA  11           H        ALA  11  -0.103  -6.211  -2.694
   70    HA   ALA  11           HA       ALA  11   2.494  -6.799  -1.966
   71   1HB   ALA  11          1HB       ALA  11   0.882  -5.650   0.286
   72   2HB   ALA  11          2HB       ALA  11   2.541  -5.289  -0.191
   73   3HB   ALA  11          3HB       ALA  11   2.162  -6.826   0.586
   74    H    ALA  12           H        ALA  12  -0.890  -7.266  -1.067
   75    HA   ALA  12           HA       ALA  12  -2.157  -9.137  -0.798
   76   1HB   ALA  12          1HB       ALA  12  -0.766  -9.612  -3.020
   77   2HB   ALA  12          2HB       ALA  12  -1.866 -10.799  -2.319
   78   3HB   ALA  12          3HB       ALA  12  -0.132 -10.920  -2.022
   79    H    ALA  13           H        ALA  13  -0.110  -8.387   1.192
   80    HA   ALA  13           HA       ALA  13  -0.278 -10.774   2.796
   81   1HB   ALA  13          1HB       ALA  13   2.501  -9.757   2.600
   82   2HB   ALA  13          2HB       ALA  13   1.903 -10.763   1.281
   83   3HB   ALA  13          3HB       ALA  13   1.909 -11.384   2.931
   84    H    ALA  14           H        ALA  14  -1.146  -7.938   2.828
   85    HA   ALA  14           HA       ALA  14  -1.454  -6.278   4.350
   86   1HB   ALA  14          1HB       ALA  14  -0.202  -8.280   6.226
   87   2HB   ALA  14          2HB       ALA  14  -1.924  -8.062   5.909
   88   3HB   ALA  14          3HB       ALA  14  -1.010  -6.793   6.724
   89    H    ASN  15           H        ASN  15   0.991  -6.385   2.766
   90    HA   ASN  15           HA       ASN  15   3.036  -5.272   4.512
   91   1HB   ASN  15          2HB       ASN  15   3.221  -6.807   2.279
   92   2HB   ASN  15          1HB       ASN  15   3.450  -5.205   1.587
   93   1HD2  ASN  15          1HD2      ASN  15   4.735  -4.002   3.774
   94   2HD2  ASN  15          2HD2      ASN  15   6.304  -4.706   3.931
   95    H    VAL  16           H        VAL  16   1.746  -3.424   5.129
   96    HA   VAL  16           HA       VAL  16   0.800  -1.504   3.311
   97    HB   VAL  16           HB       VAL  16   1.720  -1.000   6.143
   98   1HG1  VAL  16          1HG1      VAL  16   1.266   1.111   5.511
   99   2HG1  VAL  16          2HG1      VAL  16  -0.415   0.617   5.715
  100   3HG1  VAL  16          3HG1      VAL  16   0.321   0.599   4.113
  101   1HG2  VAL  16          1HG2      VAL  16  -0.150  -1.944   6.962
  102   2HG2  VAL  16          2HG2      VAL  16  -0.145  -2.840   5.444
  103   3HG2  VAL  16          3HG2      VAL  16  -1.143  -1.397   5.612
  104    H    ALA  17           H        ALA  17   3.895  -1.764   5.028
  105    HA   ALA  17           HA       ALA  17   4.980   0.683   4.267
  106   1HB   ALA  17          1HB       ALA  17   6.704  -1.756   4.442
  107   2HB   ALA  17          2HB       ALA  17   5.888  -1.143   5.881
  108   3HB   ALA  17          3HB       ALA  17   7.025  -0.116   5.006
  109    H    ALA  18           H        ALA  18   4.993  -2.429   2.579
  110    HA   ALA  18           HA       ALA  18   6.609  -1.606   0.408
  111   1HB   ALA  18          1HB       ALA  18   5.091  -3.538  -0.704
  112   2HB   ALA  18          2HB       ALA  18   4.837  -3.891   1.005
  113   3HB   ALA  18          3HB       ALA  18   6.472  -3.865   0.343
  114    H    HIS  19           H        HIS  19   3.270  -1.215   1.214
  115    HA   HIS  19           HA       HIS  19   2.384  -0.435  -1.395
  116   1HB   HIS  19          2HB       HIS  19   0.590  -1.221  -0.228
  117   2HB   HIS  19          1HB       HIS  19   1.222  -0.683   1.319
  118    HD2  HIS  19           2HD      HIS  19   0.267   1.674   2.238
  119    HE1  HIS  19           1HE      HIS  19  -2.153   2.559  -1.101
  120    HE2  HIS  19           2HE      HIS  19  -1.459   3.302   1.218
  121    H    MET  20           H        MET  20   2.768   1.376   1.675
  122    HA   MET  20           HA       MET  20   2.339   3.897   0.538
  123   1HB   MET  20          2HB       MET  20   2.381   3.253   3.000
  124   2HB   MET  20          1HB       MET  20   4.128   3.424   2.905
  125   1HG   MET  20          2HG       MET  20   4.042   5.682   2.743
  126   2HG   MET  20          1HG       MET  20   2.494   5.672   1.898
  127   1HE   MET  20          1HE       MET  20   2.815   7.937   4.380
  128   2HE   MET  20          2HE       MET  20   1.089   7.700   4.658
  129   3HE   MET  20          3HE       MET  20   1.738   7.613   3.021
  130    H    THR  21           H        THR  21   5.176   1.896   0.598
  131    HA   THR  21           HA       THR  21   7.201   3.729   0.181
  132    HB   THR  21           HB       THR  21   7.207   1.106   0.278
  133    HG1  THR  21           1HG      THR  21   9.277   1.275  -0.144
  134   1HG2  THR  21          1HG2      THR  21   7.782   1.184  -2.605
  135   2HG2  THR  21          2HG2      THR  21   6.080   1.195  -2.144
  136   3HG2  THR  21          3HG2      THR  21   7.131  -0.115  -1.604
  137    H    HIS  22           H        HIS  22   4.590   2.801  -1.861
  138    HA   HIS  22           HA       HIS  22   5.509   4.699  -3.902
  139   1HB   HIS  22          2HB       HIS  22   4.528   3.167  -5.633
  140   2HB   HIS  22          1HB       HIS  22   5.960   2.529  -4.827
  141    HD1  HIS  22           1HD      HIS  22   5.679   0.114  -4.391
  142    HD2  HIS  22           2HD      HIS  22   2.111   2.190  -3.959
  143    HE1  HIS  22           1HE      HIS  22   3.985  -1.600  -3.667
  144    HE2  HIS  22           2HE      HIS  22   1.878  -0.289  -3.272
  145    H    CYS  23           H        CYS  23   3.075   3.838  -1.740
  146    HA   CYS  23           HA       CYS  23   1.038   5.197  -3.374
  147   1HB   CYS  23          2HB       CYS  23   0.865   2.987  -1.367
  148   2HB   CYS  23          1HB       CYS  23  -0.458   4.138  -1.447
  149    H    ALA  24           H        ALA  24   2.961   6.723  -2.088
  150    HA   ALA  24           HA       ALA  24   1.711   7.728   0.356
  151   1HB   ALA  24          1HB       ALA  24   4.388   8.120  -0.924
  152   2HB   ALA  24          2HB       ALA  24   3.998   7.535   0.693
  153   3HB   ALA  24          3HB       ALA  24   3.806   9.244   0.304
  154    H    LYS  25           H        LYS  25   0.177   8.157  -1.901
  155    HA   LYS  25           HA       LYS  25   0.099  11.059  -1.940
  156   1HB   LYS  25          2HB       LYS  25  -0.006  11.219  -4.368
  157   2HB   LYS  25          1HB       LYS  25   1.517  10.494  -3.870
  158   1HG   LYS  25          2HG       LYS  25   0.110   8.264  -4.237
  159   2HG   LYS  25          1HG       LYS  25  -0.751   9.319  -5.359
  160   1HD   LYS  25          2HD       LYS  25   2.220   9.329  -5.432
  161   2HD   LYS  25          1HD       LYS  25   1.380   7.929  -6.100
  162   1HE   LYS  25          2HE       LYS  25  -0.057   9.882  -7.234
  163   2HE   LYS  25          1HE       LYS  25   1.480  10.727  -7.058
  164   1HZ   LYS  25          1HZ       LYS  25   1.889   9.751  -9.028
  165   2HZ   LYS  25          2HZ       LYS  25   0.777   8.499  -8.784
  166   3HZ   LYS  25          3HZ       LYS  25   2.309   8.419  -8.073
  Start of MODEL   13
    1   1H    ALA   1          1HT       ALA   1  -1.430   4.694   4.208
    2   2H    ALA   1          2HT       ALA   1  -2.359   4.273   2.828
    3   3H    ALA   1          3HT       ALA   1  -0.707   3.820   2.924
    4    HA   ALA   1           HA       ALA   1  -1.071   2.217   4.456
    5   1HB   ALA   1          1HB       ALA   1  -2.242   3.195   6.175
    6   2HB   ALA   1          2HB       ALA   1  -3.461   2.104   5.517
    7   3HB   ALA   1          3HB       ALA   1  -3.501   3.819   5.110
    8    H    VAL   2           H        VAL   2  -1.414   0.325   3.628
    9    HA   VAL   2           HA       VAL   2  -2.552  -0.126   1.154
   10    HB   VAL   2           HB       VAL   2  -0.940  -1.572   2.472
   11   1HG1  VAL   2          1HG1      VAL   2  -3.333  -3.060   3.463
   12   2HG1  VAL   2          2HG1      VAL   2  -2.679  -1.720   4.406
   13   3HG1  VAL   2          3HG1      VAL   2  -1.663  -3.111   4.029
   14   1HG2  VAL   2          1HG2      VAL   2  -1.980  -3.724   1.466
   15   2HG2  VAL   2          2HG2      VAL   2  -1.518  -2.407   0.386
   16   3HG2  VAL   2          3HG2      VAL   2  -3.210  -2.631   0.833
   17    H    SER   3           H        SER   3  -4.080   0.058   4.255
   18    HA   SER   3           HA       SER   3  -6.451  -1.376   3.566
   19   1HB   SER   3          2HB       SER   3  -5.406  -0.570   5.923
   20   2HB   SER   3          1HB       SER   3  -6.594   0.709   5.670
   21    HG   SER   3           HG       SER   3  -7.098  -1.584   6.680
   22    H    ALA   4           H        ALA   4  -5.360   1.924   3.271
   23    HA   ALA   4           HA       ALA   4  -7.995   2.710   2.225
   24   1HB   ALA   4          1HB       ALA   4  -5.850   4.687   2.862
   25   2HB   ALA   4          2HB       ALA   4  -6.798   3.968   4.164
   26   3HB   ALA   4          3HB       ALA   4  -7.603   4.882   2.889
   27    H    CYS   5           H        CYS   5  -5.523   1.326   0.924
   28    HA   CYS   5           HA       CYS   5  -4.364   3.015  -0.958
   29   1HB   CYS   5          2HB       CYS   5  -3.577   0.733  -0.551
   30   2HB   CYS   5          1HB       CYS   5  -5.060   0.084  -1.238
   31    H    ALA   6           H        ALA   6  -4.887   3.653  -3.019
   32    HA   ALA   6           HA       ALA   6  -7.733   3.519  -3.669
   33   1HB   ALA   6          1HB       ALA   6  -5.767   5.202  -5.161
   34   2HB   ALA   6          2HB       ALA   6  -6.310   5.685  -3.554
   35   3HB   ALA   6          3HB       ALA   6  -7.481   5.483  -4.858
   36    H    LEU   7           H        LEU   7  -4.635   2.430  -4.835
   37    HA   LEU   7           HA       LEU   7  -5.759   1.651  -7.401
   38   1HB   LEU   7          2HB       LEU   7  -3.614   1.381  -8.162
   39   2HB   LEU   7          1HB       LEU   7  -3.404   2.648  -6.976
   40    HG   LEU   7           HG       LEU   7  -2.923   0.461  -5.448
   41   1HD1  LEU   7          1HD1      LEU   7  -2.999  -0.623  -7.975
   42   2HD1  LEU   7          2HD1      LEU   7  -2.209  -1.331  -6.566
   43   3HD1  LEU   7          3HD1      LEU   7  -1.278  -0.356  -7.703
   44   1HD2  LEU   7          1HD2      LEU   7  -1.582   2.575  -5.797
   45   2HD2  LEU   7          2HD2      LEU   7  -0.799   1.746  -7.143
   46   3HD2  LEU   7          3HD2      LEU   7  -0.650   1.107  -5.507
   47    H    SER   8           H        SER   8  -5.004  -0.617  -8.173
   48    HA   SER   8           HA       SER   8  -6.448  -2.541  -6.850
   49   1HB   SER   8          2HB       SER   8  -4.354  -2.586  -8.952
   50   2HB   SER   8          1HB       SER   8  -4.718  -4.118  -8.158
   51    HG   SER   8           HG       SER   8  -6.072  -2.962 -10.085
   52    H    LYS   9           H        LYS   9  -5.191  -4.792  -6.335
   53    HA   LYS   9           HA       LYS   9  -4.271  -4.630  -3.761
   54   1HB   LYS   9          2HB       LYS   9  -3.940  -6.665  -5.920
   55   2HB   LYS   9          1HB       LYS   9  -3.028  -6.865  -4.432
   56   1HG   LYS   9          2HG       LYS   9  -5.094  -6.844  -3.145
   57   2HG   LYS   9          1HG       LYS   9  -6.022  -6.605  -4.627
   58   1HD   LYS   9          2HD       LYS   9  -5.674  -8.758  -5.351
   59   2HD   LYS   9          1HD       LYS   9  -4.163  -8.928  -4.456
   60   1HE   LYS   9          2HE       LYS   9  -5.461 -10.210  -3.116
   61   2HE   LYS   9          1HE       LYS   9  -5.849  -8.646  -2.401
   62   1HZ   LYS   9          1HZ       LYS   9  -7.486 -10.371  -4.103
   63   2HZ   LYS   9          2HZ       LYS   9  -7.692  -8.700  -4.254
   64   3HZ   LYS   9          3HZ       LYS   9  -7.930  -9.448  -2.756
   65    H    CYS  10           H        CYS  10  -2.353  -4.342  -2.738
   66    HA   CYS  10           HA       CYS  10  -0.034  -3.685  -4.432
   67   1HB   CYS  10          2HB       CYS  10  -1.205  -2.323  -2.062
   68   2HB   CYS  10          1HB       CYS  10   0.551  -2.336  -2.195
   69    H    ALA  11           H        ALA  11  -1.104  -5.090  -1.372
   70    HA   ALA  11           HA       ALA  11   1.341  -6.711  -1.347
   71   1HB   ALA  11          1HB       ALA  11   0.229  -5.382   1.119
   72   2HB   ALA  11          2HB       ALA  11   1.623  -4.798   0.211
   73   3HB   ALA  11          3HB       ALA  11   1.684  -6.371   1.006
   74    H    ALA  12           H        ALA  12   0.961  -8.808  -1.019
   75    HA   ALA  12           HA       ALA  12  -1.759  -9.618  -0.296
   76   1HB   ALA  12          1HB       ALA  12   0.474 -10.937  -1.782
   77   2HB   ALA  12          2HB       ALA  12  -1.204 -10.692  -2.265
   78   3HB   ALA  12          3HB       ALA  12  -0.804 -11.914  -1.058
   79    H    ALA  13           H        ALA  13   0.198  -8.682   1.686
   80    HA   ALA  13           HA       ALA  13  -0.138 -10.820   3.581
   81   1HB   ALA  13          1HB       ALA  13   1.912 -11.565   2.524
   82   2HB   ALA  13          2HB       ALA  13   2.244 -11.012   4.165
   83   3HB   ALA  13          3HB       ALA  13   2.650  -9.986   2.788
   84    H    ALA  14           H        ALA  14  -0.901  -7.998   3.206
   85    HA   ALA  14           HA       ALA  14  -1.233  -6.156   4.498
   86   1HB   ALA  14          1HB       ALA  14   0.177  -7.338   6.833
   87   2HB   ALA  14          2HB       ALA  14  -1.297  -8.121   6.263
   88   3HB   ALA  14          3HB       ALA  14  -1.334  -6.430   6.763
   89    H    ASN  15           H        ASN  15   1.207  -6.488   2.939
   90    HA   ASN  15           HA       ASN  15   3.319  -5.246   4.471
   91   1HB   ASN  15          2HB       ASN  15   3.332  -6.853   2.275
   92   2HB   ASN  15          1HB       ASN  15   3.534  -5.273   1.525
   93   1HD2  ASN  15          1HD2      ASN  15   4.979  -4.028   3.584
   94   2HD2  ASN  15          2HD2      ASN  15   6.545  -4.753   3.658
   95    H    VAL  16           H        VAL  16   1.860  -3.429   5.066
   96    HA   VAL  16           HA       VAL  16   0.920  -1.544   3.229
   97    HB   VAL  16           HB       VAL  16   1.845  -0.995   6.050
   98   1HG1  VAL  16          1HG1      VAL  16  -0.328   0.596   5.542
   99   2HG1  VAL  16          2HG1      VAL  16   0.524   0.608   3.998
  100   3HG1  VAL  16          3HG1      VAL  16   1.357   1.111   5.469
  101   1HG2  VAL  16          1HG2      VAL  16  -0.022  -2.840   5.367
  102   2HG2  VAL  16          2HG2      VAL  16  -1.018  -1.394   5.526
  103   3HG2  VAL  16          3HG2      VAL  16  -0.025  -1.933   6.879
  104    H    ALA  17           H        ALA  17   4.016  -1.705   4.960
  105    HA   ALA  17           HA       ALA  17   5.078   0.729   4.169
  106   1HB   ALA  17          1HB       ALA  17   6.360  -1.904   4.817
  107   2HB   ALA  17          2HB       ALA  17   6.300  -0.432   5.786
  108   3HB   ALA  17          3HB       ALA  17   7.326  -0.503   4.354
  109    H    ALA  18           H        ALA  18   5.124  -2.380   2.473
  110    HA   ALA  18           HA       ALA  18   6.702  -1.531   0.286
  111   1HB   ALA  18          1HB       ALA  18   6.313  -3.593  -0.602
  112   2HB   ALA  18          2HB       ALA  18   4.603  -3.578  -0.169
  113   3HB   ALA  18          3HB       ALA  18   5.821  -3.926   1.058
  114    H    HIS  19           H        HIS  19   3.350  -1.223   1.103
  115    HA   HIS  19           HA       HIS  19   2.450  -0.409  -1.490
  116   1HB   HIS  19          2HB       HIS  19   0.675  -1.267  -0.342
  117   2HB   HIS  19          1HB       HIS  19   1.294  -0.749   1.217
  118    HD2  HIS  19           2HD      HIS  19   0.262   1.540   2.201
  119    HE1  HIS  19           1HE      HIS  19  -2.181   2.454  -1.111
  120    HE2  HIS  19           2HE      HIS  19  -1.516   3.142   1.231
  121    H    MET  20           H        MET  20   2.803   1.338   1.618
  122    HA   MET  20           HA       MET  20   2.305   3.873   0.543
  123   1HB   MET  20          2HB       MET  20   2.393   3.147   2.995
  124   2HB   MET  20          1HB       MET  20   4.125   3.427   2.887
  125   1HG   MET  20          2HG       MET  20   3.897   5.680   2.763
  126   2HG   MET  20          1HG       MET  20   2.333   5.587   1.956
  127   1HE   MET  20          1HE       MET  20   0.924   6.862   2.784
  128   2HE   MET  20          2HE       MET  20   1.335   7.738   4.259
  129   3HE   MET  20          3HE       MET  20   0.000   6.586   4.261
  130    H    THR  21           H        THR  21   5.186   1.939   0.527
  131    HA   THR  21           HA       THR  21   7.166   3.831   0.158
  132    HB   THR  21           HB       THR  21   7.238   1.208   0.171
  133    HG1  THR  21           1HG      THR  21   9.304   1.419  -0.310
  134   1HG2  THR  21          1HG2      THR  21   7.220   0.046  -1.762
  135   2HG2  THR  21          2HG2      THR  21   7.743   1.425  -2.729
  136   3HG2  THR  21          3HG2      THR  21   6.064   1.302  -2.205
  137    H    HIS  22           H        HIS  22   4.566   2.898  -1.898
  138    HA   HIS  22           HA       HIS  22   5.422   4.883  -3.884
  139   1HB   HIS  22          2HB       HIS  22   4.430   3.376  -5.646
  140   2HB   HIS  22          1HB       HIS  22   5.907   2.772  -4.901
  141    HD1  HIS  22           1HD      HIS  22   5.750   0.347  -4.462
  142    HD2  HIS  22           2HD      HIS  22   2.086   2.241  -4.003
  143    HE1  HIS  22           1HE      HIS  22   4.140  -1.457  -3.762
  144    HE2  HIS  22           2HE      HIS  22   1.969  -0.257  -3.366
  145    H    CYS  23           H        CYS  23   3.029   3.890  -1.730
  146    HA   CYS  23           HA       CYS  23   0.947   5.272  -3.285
  147   1HB   CYS  23          2HB       CYS  23   0.840   2.986  -1.355
  148   2HB   CYS  23          1HB       CYS  23  -0.516   4.099  -1.414
  149    H    ALA  24           H        ALA  24   2.788   6.847  -2.020
  150    HA   ALA  24           HA       ALA  24   1.591   7.683   0.514
  151   1HB   ALA  24          1HB       ALA  24   4.204   8.238  -0.832
  152   2HB   ALA  24          2HB       ALA  24   3.890   7.590   0.779
  153   3HB   ALA  24          3HB       ALA  24   3.614   9.300   0.446
  154    H    LYS  25           H        LYS  25   0.025   8.119  -1.772
  155    HA   LYS  25           HA       LYS  25  -0.261  11.003  -1.620
  156   1HB   LYS  25          2HB       LYS  25  -0.327  11.327  -4.032
  157   2HB   LYS  25          1HB       LYS  25   1.234  10.678  -3.548
  158   1HG   LYS  25          2HG       LYS  25  -0.798   8.691  -4.323
  159   2HG   LYS  25          1HG       LYS  25  -0.203   9.740  -5.611
  160   1HD   LYS  25          2HD       LYS  25   1.860   8.612  -3.836
  161   2HD   LYS  25          1HD       LYS  25   1.003   7.444  -4.846
  162   1HE   LYS  25          2HE       LYS  25   1.499   9.383  -6.656
  163   2HE   LYS  25          1HE       LYS  25   2.891   9.581  -5.594
  164   1HZ   LYS  25          1HZ       LYS  25   2.110   7.222  -7.185
  165   2HZ   LYS  25          2HZ       LYS  25   3.134   7.062  -5.848
  166   3HZ   LYS  25          3HZ       LYS  25   3.594   8.036  -7.152
  Start of MODEL   14
    1   1H    ALA   1          1HT       ALA   1  -2.298   4.574   2.668
    2   2H    ALA   1          2HT       ALA   1  -0.674   4.062   2.878
    3   3H    ALA   1          3HT       ALA   1  -1.426   5.046   4.066
    4    HA   ALA   1           HA       ALA   1  -1.182   2.563   4.464
    5   1HB   ALA   1          1HB       ALA   1  -2.362   3.570   6.120
    6   2HB   ALA   1          2HB       ALA   1  -3.689   2.687   5.368
    7   3HB   ALA   1          3HB       ALA   1  -3.447   4.395   5.001
    8    H    VAL   2           H        VAL   2  -1.635   0.634   3.763
    9    HA   VAL   2           HA       VAL   2  -2.747   0.130   1.269
   10    HB   VAL   2           HB       VAL   2  -1.197  -1.319   2.685
   11   1HG1  VAL   2          1HG1      VAL   2  -3.088  -1.352   4.532
   12   2HG1  VAL   2          2HG1      VAL   2  -1.985  -2.709   4.312
   13   3HG1  VAL   2          3HG1      VAL   2  -3.609  -2.774   3.629
   14   1HG2  VAL   2          1HG2      VAL   2  -2.210  -3.453   1.690
   15   2HG2  VAL   2          2HG2      VAL   2  -1.793  -2.148   0.579
   16   3HG2  VAL   2          3HG2      VAL   2  -3.473  -2.400   1.052
   17    H    SER   3           H        SER   3  -4.293   0.578   4.319
   18    HA   SER   3           HA       SER   3  -6.688  -0.855   3.766
   19   1HB   SER   3          2HB       SER   3  -6.556   1.502   5.628
   20   2HB   SER   3          1HB       SER   3  -7.511   0.027   5.776
   21    HG   SER   3           HG       SER   3  -5.495  -1.089   6.091
   22    H    ALA   4           H        ALA   4  -5.620   2.458   3.254
   23    HA   ALA   4           HA       ALA   4  -8.197   3.082   1.987
   24   1HB   ALA   4          1HB       ALA   4  -6.159   4.708   3.394
   25   2HB   ALA   4          2HB       ALA   4  -7.919   4.812   3.432
   26   3HB   ALA   4          3HB       ALA   4  -7.026   5.470   2.061
   27    H    CYS   5           H        CYS   5  -5.713   1.605   0.903
   28    HA   CYS   5           HA       CYS   5  -4.486   3.172  -1.067
   29   1HB   CYS   5          2HB       CYS   5  -3.594   1.004  -0.427
   30   2HB   CYS   5          1HB       CYS   5  -5.039   0.201  -1.024
   31    H    ALA   6           H        ALA   6  -4.966   3.654  -3.155
   32    HA   ALA   6           HA       ALA   6  -7.751   3.386  -3.933
   33   1HB   ALA   6          1HB       ALA   6  -5.699   4.715  -5.646
   34   2HB   ALA   6          2HB       ALA   6  -6.216   5.491  -4.149
   35   3HB   ALA   6          3HB       ALA   6  -7.398   5.122  -5.405
   36    H    LEU   7           H        LEU   7  -4.592   2.199  -4.885
   37    HA   LEU   7           HA       LEU   7  -5.802   0.708  -7.099
   38   1HB   LEU   7          2HB       LEU   7  -3.543   0.385  -7.906
   39   2HB   LEU   7          1HB       LEU   7  -3.870   2.086  -7.667
   40    HG   LEU   7           HG       LEU   7  -2.715   1.151  -5.267
   41   1HD1  LEU   7          1HD1      LEU   7  -1.262   0.183  -7.720
   42   2HD1  LEU   7          2HD1      LEU   7  -1.858  -0.790  -6.374
   43   3HD1  LEU   7          3HD1      LEU   7  -0.527   0.340  -6.125
   44   1HD2  LEU   7          1HD2      LEU   7  -0.778   2.598  -6.165
   45   2HD2  LEU   7          2HD2      LEU   7  -2.342   3.360  -5.877
   46   3HD2  LEU   7          3HD2      LEU   7  -1.860   2.930  -7.518
   47    H    SER   8           H        SER   8  -6.702  -1.051  -6.107
   48    HA   SER   8           HA       SER   8  -5.852  -2.496  -3.961
   49   1HB   SER   8          2HB       SER   8  -7.884  -2.777  -5.709
   50   2HB   SER   8          1HB       SER   8  -6.869  -4.127  -6.217
   51    HG   SER   8           HG       SER   8  -8.399  -4.646  -4.538
   52    H    LYS   9           H        LYS   9  -4.885  -4.688  -3.862
   53    HA   LYS   9           HA       LYS   9  -3.122  -6.099  -4.127
   54   1HB   LYS   9          2HB       LYS   9  -3.270  -5.181  -7.004
   55   2HB   LYS   9          1HB       LYS   9  -2.345  -6.561  -6.426
   56   1HG   LYS   9          2HG       LYS   9  -5.336  -6.280  -6.216
   57   2HG   LYS   9          1HG       LYS   9  -4.484  -7.199  -7.459
   58   1HD   LYS   9          2HD       LYS   9  -4.920  -8.880  -5.973
   59   2HD   LYS   9          1HD       LYS   9  -3.365  -8.330  -5.346
   60   1HE   LYS   9          2HE       LYS   9  -4.471  -8.232  -3.389
   61   2HE   LYS   9          1HE       LYS   9  -5.044  -6.686  -4.014
   62   1HZ   LYS   9          1HZ       LYS   9  -6.470  -9.281  -4.254
   63   2HZ   LYS   9          2HZ       LYS   9  -7.023  -7.794  -4.843
   64   3HZ   LYS   9          3HZ       LYS   9  -6.863  -8.036  -3.177
   65    H    CYS  10           H        CYS  10  -1.678  -4.985  -2.828
   66    HA   CYS  10           HA       CYS  10   0.426  -3.561  -4.290
   67   1HB   CYS  10          2HB       CYS  10  -1.263  -2.501  -2.104
   68   2HB   CYS  10          1HB       CYS  10   0.462  -2.173  -1.971
   69    H    ALA  11           H        ALA  11  -0.144  -6.221  -2.699
   70    HA   ALA  11           HA       ALA  11   2.462  -6.814  -2.005
   71   1HB   ALA  11          1HB       ALA  11   2.531  -5.296  -0.237
   72   2HB   ALA  11          2HB       ALA  11   2.170  -6.833   0.549
   73   3HB   ALA  11          3HB       ALA  11   0.881  -5.662   0.268
   74    H    ALA  12           H        ALA  12  -0.911  -7.272  -1.062
   75    HA   ALA  12           HA       ALA  12  -2.178  -9.138  -0.773
   76   1HB   ALA  12          1HB       ALA  12  -0.774  -9.627  -3.003
   77   2HB   ALA  12          2HB       ALA  12  -1.925 -10.773  -2.317
   78   3HB   ALA  12          3HB       ALA  12  -0.201 -10.959  -1.999
   79    H    ALA  13           H        ALA  13  -0.099  -8.386   1.186
   80    HA   ALA  13           HA       ALA  13  -0.250 -10.774   2.796
   81   1HB   ALA  13          1HB       ALA  13   2.454  -9.684   2.025
   82   2HB   ALA  13          2HB       ALA  13   1.772 -11.228   1.513
   83   3HB   ALA  13          3HB       ALA  13   2.152 -10.951   3.213
   84    H    ALA  14           H        ALA  14  -1.123  -7.934   2.828
   85    HA   ALA  14           HA       ALA  14  -1.426  -6.272   4.351
   86   1HB   ALA  14          1HB       ALA  14  -1.503  -6.859   6.563
   87   2HB   ALA  14          2HB       ALA  14  -0.017  -7.805   6.478
   88   3HB   ALA  14          3HB       ALA  14  -1.516  -8.456   5.815
   89    H    ASN  15           H        ASN  15   1.013  -6.379   2.759
   90    HA   ASN  15           HA       ASN  15   3.068  -5.272   4.498
   91   1HB   ASN  15          2HB       ASN  15   3.272  -6.811   2.294
   92   2HB   ASN  15          1HB       ASN  15   3.424  -5.220   1.555
   93   1HD2  ASN  15          1HD2      ASN  15   5.545  -6.591   1.197
   94   2HD2  ASN  15          2HD2      ASN  15   6.823  -6.196   2.292
   95    H    VAL  16           H        VAL  16   1.733  -3.437   5.119
   96    HA   VAL  16           HA       VAL  16   0.799  -1.506   3.314
   97    HB   VAL  16           HB       VAL  16   1.713  -1.020   6.150
   98   1HG1  VAL  16          1HG1      VAL  16  -0.421   0.601   5.724
   99   2HG1  VAL  16          2HG1      VAL  16   0.328   0.597   4.128
  100   3HG1  VAL  16          3HG1      VAL  16   1.262   1.097   5.538
  101   1HG2  VAL  16          1HG2      VAL  16  -0.153  -2.851   5.431
  102   2HG2  VAL  16          2HG2      VAL  16  -1.148  -1.407   5.612
  103   3HG2  VAL  16          3HG2      VAL  16  -0.159  -1.969   6.958
  104    H    ALA  17           H        ALA  17   3.891  -1.762   5.039
  105    HA   ALA  17           HA       ALA  17   4.971   0.688   4.282
  106   1HB   ALA  17          1HB       ALA  17   7.211  -0.607   4.476
  107   2HB   ALA  17          2HB       ALA  17   6.194  -1.947   5.006
  108   3HB   ALA  17          3HB       ALA  17   6.193  -0.431   5.907
  109    H    ALA  18           H        ALA  18   4.999  -2.423   2.594
  110    HA   ALA  18           HA       ALA  18   6.619  -1.599   0.427
  111   1HB   ALA  18          1HB       ALA  18   6.135  -3.637  -0.537
  112   2HB   ALA  18          2HB       ALA  18   4.479  -3.651   0.069
  113   3HB   ALA  18          3HB       ALA  18   5.820  -3.984   1.162
  114    H    HIS  19           H        HIS  19   3.277  -1.209   1.223
  115    HA   HIS  19           HA       HIS  19   2.402  -0.428  -1.389
  116   1HB   HIS  19          2HB       HIS  19   0.603  -1.218  -0.232
  117   2HB   HIS  19          1HB       HIS  19   1.227  -0.682   1.320
  118    HD2  HIS  19           2HD      HIS  19   0.268   1.675   2.237
  119    HE1  HIS  19           1HE      HIS  19  -2.144   2.558  -1.108
  120    HE2  HIS  19           2HE      HIS  19  -1.458   3.299   1.213
  121    H    MET  20           H        MET  20   2.766   1.381   1.685
  122    HA   MET  20           HA       MET  20   2.340   3.901   0.552
  123   1HB   MET  20          2HB       MET  20   2.373   3.253   3.012
  124   2HB   MET  20          1HB       MET  20   4.119   3.430   2.924
  125   1HG   MET  20          2HG       MET  20   3.296   5.765   1.821
  126   2HG   MET  20          1HG       MET  20   2.014   5.463   2.994
  127   1HE   MET  20          1HE       MET  20   3.278   7.444   5.616
  128   2HE   MET  20          2HE       MET  20   2.708   5.816   5.979
  129   3HE   MET  20          3HE       MET  20   1.982   6.729   4.658
  130    H    THR  21           H        THR  21   5.181   1.907   0.621
  131    HA   THR  21           HA       THR  21   7.203   3.744   0.215
  132    HB   THR  21           HB       THR  21   7.216   1.122   0.311
  133    HG1  THR  21           1HG      THR  21   9.241   1.572   0.189
  134   1HG2  THR  21          1HG2      THR  21   7.169  -0.099  -1.576
  135   2HG2  THR  21          2HG2      THR  21   7.783   1.216  -2.577
  136   3HG2  THR  21          3HG2      THR  21   6.085   1.190  -2.100
  137    H    HIS  22           H        HIS  22   4.604   2.812  -1.840
  138    HA   HIS  22           HA       HIS  22   5.528   4.713  -3.876
  139   1HB   HIS  22          2HB       HIS  22   4.562   3.180  -5.613
  140   2HB   HIS  22          1HB       HIS  22   5.988   2.543  -4.798
  141    HD1  HIS  22           1HD      HIS  22   5.705   0.125  -4.371
  142    HD2  HIS  22           2HD      HIS  22   2.135   2.201  -3.948
  143    HE1  HIS  22           1HE      HIS  22   4.007  -1.590  -3.658
  144    HE2  HIS  22           2HE      HIS  22   1.900  -0.279  -3.268
  145    H    CYS  23           H        CYS  23   3.085   3.846  -1.726
  146    HA   CYS  23           HA       CYS  23   1.053   5.199  -3.370
  147   1HB   CYS  23          2HB       CYS  23   0.877   2.988  -1.366
  148   2HB   CYS  23          1HB       CYS  23  -0.448   4.138  -1.446
  149    H    ALA  24           H        ALA  24   2.582   7.025  -2.439
  150    HA   ALA  24           HA       ALA  24   1.255   8.043  -0.012
  151   1HB   ALA  24          1HB       ALA  24   3.400   7.540   0.758
  152   2HB   ALA  24          2HB       ALA  24   3.476   9.263   0.391
  153   3HB   ALA  24          3HB       ALA  24   4.166   8.092  -0.732
  154    H    LYS  25           H        LYS  25  -0.129   8.878  -1.881
  155    HA   LYS  25           HA       LYS  25   0.667  11.621  -2.387
  156   1HB   LYS  25          2HB       LYS  25   0.176  11.482  -4.803
  157   2HB   LYS  25          1HB       LYS  25   1.566  10.508  -4.346
  158   1HG   LYS  25          2HG       LYS  25  -1.047   9.135  -4.369
  159   2HG   LYS  25          1HG       LYS  25  -0.396   9.627  -5.934
  160   1HD   LYS  25          2HD       LYS  25   1.494   8.307  -4.085
  161   2HD   LYS  25          1HD       LYS  25   0.207   7.293  -4.741
  162   1HE   LYS  25          2HE       LYS  25   1.036   7.371  -6.845
  163   2HE   LYS  25          1HE       LYS  25   1.592   9.036  -6.676
  164   1HZ   LYS  25          1HZ       LYS  25   3.594   8.384  -5.876
  165   2HZ   LYS  25          2HZ       LYS  25   3.254   7.007  -6.798
  166   3HZ   LYS  25          3HZ       LYS  25   2.990   6.992  -5.128
  Start of MODEL   15
    1   1H    ALA   1          1HT       ALA   1  -1.651   5.009   3.795
    2   2H    ALA   1          2HT       ALA   1  -2.507   4.436   2.422
    3   3H    ALA   1          3HT       ALA   1  -0.865   3.997   2.656
    4    HA   ALA   1           HA       ALA   1  -1.320   2.563   4.320
    5   1HB   ALA   1          1HB       ALA   1  -2.550   3.602   5.918
    6   2HB   ALA   1          2HB       ALA   1  -3.838   2.635   5.202
    7   3HB   ALA   1          3HB       ALA   1  -3.656   4.330   4.752
    8    H    VAL   2           H        VAL   2  -1.672   0.592   3.701
    9    HA   VAL   2           HA       VAL   2  -2.730  -0.099   1.238
   10    HB   VAL   2           HB       VAL   2  -1.166  -1.409   2.747
   11   1HG1  VAL   2          1HG1      VAL   2  -2.866  -1.369   4.663
   12   2HG1  VAL   2          2HG1      VAL   2  -1.996  -2.874   4.368
   13   3HG1  VAL   2          3HG1      VAL   2  -3.660  -2.694   3.812
   14   1HG2  VAL   2          1HG2      VAL   2  -3.395  -2.639   1.163
   15   2HG2  VAL   2          2HG2      VAL   2  -2.154  -3.644   1.916
   16   3HG2  VAL   2          3HG2      VAL   2  -1.700  -2.427   0.722
   17    H    SER   3           H        SER   3  -4.349   0.436   4.243
   18    HA   SER   3           HA       SER   3  -6.705  -1.066   3.661
   19   1HB   SER   3          2HB       SER   3  -5.753  -0.024   5.939
   20   2HB   SER   3          1HB       SER   3  -6.850   1.280   5.488
   21    HG   SER   3           HG       SER   3  -7.643  -1.436   5.559
   22    H    ALA   4           H        ALA   4  -5.614   2.202   3.072
   23    HA   ALA   4           HA       ALA   4  -8.159   2.789   1.709
   24   1HB   ALA   4          1HB       ALA   4  -6.138   4.793   2.700
   25   2HB   ALA   4          2HB       ALA   4  -7.552   4.277   3.618
   26   3HB   ALA   4          3HB       ALA   4  -7.757   5.119   2.082
   27    H    CYS   5           H        CYS   5  -5.665   1.362   0.741
   28    HA   CYS   5           HA       CYS   5  -4.116   2.828  -0.983
   29   1HB   CYS   5          2HB       CYS   5  -3.698   0.480  -0.619
   30   2HB   CYS   5          1HB       CYS   5  -5.240   0.046  -1.345
   31    H    ALA   6           H        ALA   6  -4.388   3.889  -2.840
   32    HA   ALA   6           HA       ALA   6  -7.014   4.384  -3.823
   33   1HB   ALA   6          1HB       ALA   6  -4.283   5.207  -4.772
   34   2HB   ALA   6          2HB       ALA   6  -5.494   6.181  -3.938
   35   3HB   ALA   6          3HB       ALA   6  -5.763   5.678  -5.606
   36    H    LEU   7           H        LEU   7  -4.361   2.323  -4.856
   37    HA   LEU   7           HA       LEU   7  -5.888   1.549  -7.230
   38   1HB   LEU   7          2HB       LEU   7  -3.782   0.396  -7.903
   39   2HB   LEU   7          1HB       LEU   7  -3.659   2.137  -7.780
   40    HG   LEU   7           HG       LEU   7  -2.790   1.502  -5.335
   41   1HD1  LEU   7          1HD1      LEU   7  -2.702  -0.988  -6.863
   42   2HD1  LEU   7          2HD1      LEU   7  -2.603  -0.716  -5.124
   43   3HD1  LEU   7          3HD1      LEU   7  -1.164  -0.540  -6.126
   44   1HD2  LEU   7          1HD2      LEU   7  -1.072   1.350  -7.807
   45   2HD2  LEU   7          2HD2      LEU   7  -0.541   1.763  -6.177
   46   3HD2  LEU   7          3HD2      LEU   7  -1.628   2.842  -7.050
   47    H    SER   8           H        SER   8  -5.233  -0.934  -7.763
   48    HA   SER   8           HA       SER   8  -6.827  -2.504  -6.159
   49   1HB   SER   8          2HB       SER   8  -6.141  -3.069  -8.477
   50   2HB   SER   8          1HB       SER   8  -4.533  -3.473  -7.876
   51    HG   SER   8           HG       SER   8  -6.731  -4.993  -7.922
   52    H    LYS   9           H        LYS   9  -5.611  -4.818  -5.479
   53    HA   LYS   9           HA       LYS   9  -4.661  -4.389  -2.923
   54   1HB   LYS   9          2HB       LYS   9  -4.527  -6.696  -4.815
   55   2HB   LYS   9          1HB       LYS   9  -3.596  -6.773  -3.325
   56   1HG   LYS   9          2HG       LYS   9  -5.902  -6.066  -2.257
   57   2HG   LYS   9          1HG       LYS   9  -6.536  -6.797  -3.733
   58   1HD   LYS   9          2HD       LYS   9  -5.246  -8.847  -3.220
   59   2HD   LYS   9          1HD       LYS   9  -4.731  -8.111  -1.702
   60   1HE   LYS   9          2HE       LYS   9  -6.627  -9.633  -1.382
   61   2HE   LYS   9          1HE       LYS   9  -7.039  -7.972  -0.959
   62   1HZ   LYS   9          1HZ       LYS   9  -7.600  -8.914  -3.681
   63   2HZ   LYS   9          2HZ       LYS   9  -8.416  -7.759  -2.753
   64   3HZ   LYS   9          3HZ       LYS   9  -8.625  -9.406  -2.428
   65    H    CYS  10           H        CYS  10  -2.586  -4.612  -1.963
   66    HA   CYS  10           HA       CYS  10  -0.299  -4.229  -3.764
   67   1HB   CYS  10          2HB       CYS  10  -1.274  -2.393  -1.632
   68   2HB   CYS  10          1HB       CYS  10   0.466  -2.592  -1.801
   69    H    ALA  11           H        ALA  11   1.498  -5.316  -3.186
   70    HA   ALA  11           HA       ALA  11   2.979  -6.552  -1.960
   71   1HB   ALA  11          1HB       ALA  11   2.372  -4.895  -0.118
   72   2HB   ALA  11          2HB       ALA  11   3.034  -6.451   0.380
   73   3HB   ALA  11          3HB       ALA  11   1.300  -6.153   0.496
   74    H    ALA  12           H        ALA  12  -0.320  -7.159  -0.722
   75    HA   ALA  12           HA       ALA  12  -1.614  -9.043  -0.794
   76   1HB   ALA  12          1HB       ALA  12  -0.107  -9.391  -3.006
   77   2HB   ALA  12          2HB       ALA  12  -1.318 -10.546  -2.447
   78   3HB   ALA  12          3HB       ALA  12   0.384 -10.797  -2.060
   79    H    ALA  13           H        ALA  13   0.291  -8.371   1.291
   80    HA   ALA  13           HA       ALA  13   0.177 -10.841   2.753
   81   1HB   ALA  13          1HB       ALA  13   2.728  -9.885   1.607
   82   2HB   ALA  13          2HB       ALA  13   2.206 -11.520   2.015
   83   3HB   ALA  13          3HB       ALA  13   2.770 -10.432   3.283
   84    H    ALA  14           H        ALA  14  -0.815  -8.084   2.921
   85    HA   ALA  14           HA       ALA  14  -1.221  -6.504   4.504
   86   1HB   ALA  14          1HB       ALA  14  -1.059  -7.111   6.786
   87   2HB   ALA  14          2HB       ALA  14   0.214  -8.287   6.458
   88   3HB   ALA  14          3HB       ALA  14  -1.433  -8.594   5.908
   89    H    ASN  15           H        ASN  15   1.238  -6.418   2.946
   90    HA   ASN  15           HA       ASN  15   3.165  -5.216   4.782
   91   1HB   ASN  15          2HB       ASN  15   3.606  -6.814   2.678
   92   2HB   ASN  15          1HB       ASN  15   3.665  -5.261   1.852
   93   1HD2  ASN  15          1HD2      ASN  15   5.612  -7.473   2.943
   94   2HD2  ASN  15          2HD2      ASN  15   6.916  -6.526   3.567
   95    H    VAL  16           H        VAL  16   1.713  -3.430   5.266
   96    HA   VAL  16           HA       VAL  16   0.758  -1.609   3.376
   97    HB   VAL  16           HB       VAL  16   1.607  -0.969   6.203
   98   1HG1  VAL  16          1HG1      VAL  16   1.038   1.101   5.582
   99   2HG1  VAL  16          2HG1      VAL  16  -0.626   0.516   5.604
  100   3HG1  VAL  16          3HG1      VAL  16   0.280   0.541   4.091
  101   1HG2  VAL  16          1HG2      VAL  16  -0.132  -2.114   6.995
  102   2HG2  VAL  16          2HG2      VAL  16  -0.283  -2.843   5.398
  103   3HG2  VAL  16          3HG2      VAL  16  -1.225  -1.409   5.804
  104    H    ALA  17           H        ALA  17   3.828  -1.655   5.160
  105    HA   ALA  17           HA       ALA  17   4.819   0.803   4.319
  106   1HB   ALA  17          1HB       ALA  17   5.820  -0.722   6.058
  107   2HB   ALA  17          2HB       ALA  17   6.976   0.031   4.959
  108   3HB   ALA  17          3HB       ALA  17   6.511  -1.656   4.731
  109    H    ALA  18           H        ALA  18   5.001  -2.369   2.754
  110    HA   ALA  18           HA       ALA  18   6.621  -1.578   0.581
  111   1HB   ALA  18          1HB       ALA  18   6.070  -3.636  -0.413
  112   2HB   ALA  18          2HB       ALA  18   4.519  -3.722   0.422
  113   3HB   ALA  18          3HB       ALA  18   6.019  -3.949   1.322
  114    H    HIS  19           H        HIS  19   3.237  -1.298   1.284
  115    HA   HIS  19           HA       HIS  19   2.397  -0.613  -1.360
  116   1HB   HIS  19          2HB       HIS  19   0.596  -1.406  -0.204
  117   2HB   HIS  19          1HB       HIS  19   1.179  -0.797   1.335
  118    HD2  HIS  19           2HD      HIS  19   0.147   1.567   2.147
  119    HE1  HIS  19           1HE      HIS  19  -2.239   2.254  -1.260
  120    HE2  HIS  19           2HE      HIS  19  -1.610   3.101   1.040
  121    H    MET  20           H        MET  20   2.655   1.315   1.649
  122    HA   MET  20           HA       MET  20   2.192   3.778   0.411
  123   1HB   MET  20          2HB       MET  20   2.190   3.214   2.897
  124   2HB   MET  20          1HB       MET  20   3.930   3.459   2.837
  125   1HG   MET  20          2HG       MET  20   3.027   5.712   1.625
  126   2HG   MET  20          1HG       MET  20   1.744   5.404   2.793
  127   1HE   MET  20          1HE       MET  20   2.830   7.867   4.828
  128   2HE   MET  20          2HE       MET  20   2.558   6.438   5.825
  129   3HE   MET  20          3HE       MET  20   1.607   6.686   4.360
  130    H    THR  21           H        THR  21   5.086   1.869   0.634
  131    HA   THR  21           HA       THR  21   7.059   3.754   0.196
  132    HB   THR  21           HB       THR  21   7.144   1.132   0.407
  133    HG1  THR  21           1HG      THR  21   9.264   1.224  -0.340
  134   1HG2  THR  21          1HG2      THR  21   7.204  -0.158  -1.430
  135   2HG2  THR  21          2HG2      THR  21   7.848   1.129  -2.449
  136   3HG2  THR  21          3HG2      THR  21   6.127   1.088  -2.062
  137    H    HIS  22           H        HIS  22   4.541   2.649  -1.875
  138    HA   HIS  22           HA       HIS  22   5.467   4.477  -3.975
  139   1HB   HIS  22          2HB       HIS  22   4.605   2.838  -5.665
  140   2HB   HIS  22          1HB       HIS  22   6.019   2.278  -4.772
  141    HD1  HIS  22           1HD      HIS  22   5.780  -0.128  -4.257
  142    HD2  HIS  22           2HD      HIS  22   2.153   1.875  -4.022
  143    HE1  HIS  22           1HE      HIS  22   4.103  -1.853  -3.518
  144    HE2  HIS  22           2HE      HIS  22   1.946  -0.586  -3.269
  145    H    CYS  23           H        CYS  23   2.996   3.663  -1.844
  146    HA   CYS  23           HA       CYS  23   0.970   4.858  -3.614
  147   1HB   CYS  23          2HB       CYS  23   0.798   2.753  -1.497
  148   2HB   CYS  23          1HB       CYS  23  -0.560   3.848  -1.694
  149    H    ALA  24           H        ALA  24   0.641   6.930  -3.204
  150    HA   ALA  24           HA       ALA  24   0.013   7.843  -0.564
  151   1HB   ALA  24          1HB       ALA  24   2.652   8.549  -1.791
  152   2HB   ALA  24          2HB       ALA  24   2.289   8.042  -0.141
  153   3HB   ALA  24          3HB       ALA  24   1.843   9.660  -0.686
  154    H    LYS  25           H        LYS  25  -1.308   7.777  -3.086
  155    HA   LYS  25           HA       LYS  25  -2.008  10.582  -3.293
  156   1HB   LYS  25          2HB       LYS  25  -1.848  10.551  -5.785
  157   2HB   LYS  25          1HB       LYS  25  -0.292  10.485  -4.969
  158   1HG   LYS  25          2HG       LYS  25  -0.748   7.861  -5.258
  159   2HG   LYS  25          1HG       LYS  25  -1.638   8.475  -6.654
  160   1HD   LYS  25          2HD       LYS  25   0.532   9.870  -7.062
  161   2HD   LYS  25          1HD       LYS  25   1.282   8.645  -6.038
  162   1HE   LYS  25          2HE       LYS  25  -0.132   7.080  -7.726
  163   2HE   LYS  25          1HE       LYS  25   0.231   8.442  -8.783
  164   1HZ   LYS  25          1HZ       LYS  25   2.116   7.285  -9.114
  165   2HZ   LYS  25          2HZ       LYS  25   2.015   6.452  -7.645
  166   3HZ   LYS  25          3HZ       LYS  25   2.612   8.034  -7.680
  Start of MODEL   16
    1   1H    ALA   1          1HT       ALA   1  -1.402   4.711   4.115
    2   2H    ALA   1          2HT       ALA   1  -2.367   4.321   2.751
    3   3H    ALA   1          3HT       ALA   1  -0.735   3.794   2.829
    4    HA   ALA   1           HA       ALA   1  -1.155   2.233   4.401
    5   1HB   ALA   1          1HB       ALA   1  -2.310   3.153   6.124
    6   2HB   ALA   1          2HB       ALA   1  -3.641   2.278   5.368
    7   3HB   ALA   1          3HB       ALA   1  -3.435   4.004   5.065
    8    H    VAL   2           H        VAL   2  -1.546   0.348   3.586
    9    HA   VAL   2           HA       VAL   2  -2.669  -0.113   1.116
   10    HB   VAL   2           HB       VAL   2  -1.149  -1.598   2.485
   11   1HG1  VAL   2          1HG1      VAL   2  -2.635  -1.663   4.484
   12   2HG1  VAL   2          2HG1      VAL   2  -2.106  -3.251   3.929
   13   3HG1  VAL   2          3HG1      VAL   2  -3.739  -2.692   3.572
   14   1HG2  VAL   2          1HG2      VAL   2  -3.480  -2.678   0.923
   15   2HG2  VAL   2          2HG2      VAL   2  -2.180  -3.720   1.506
   16   3HG2  VAL   2          3HG2      VAL   2  -1.822  -2.407   0.383
   17    H    SER   3           H        SER   3  -4.253   0.200   4.181
   18    HA   SER   3           HA       SER   3  -6.667  -1.146   3.491
   19   1HB   SER   3          2HB       SER   3  -5.668  -0.320   5.836
   20   2HB   SER   3          1HB       SER   3  -6.719   1.055   5.495
   21    HG   SER   3           HG       SER   3  -7.510  -1.672   5.547
   22    H    ALA   4           H        ALA   4  -5.460   2.119   3.147
   23    HA   ALA   4           HA       ALA   4  -8.006   2.928   1.911
   24   1HB   ALA   4          1HB       ALA   4  -5.878   4.890   2.643
   25   2HB   ALA   4          2HB       ALA   4  -6.908   4.210   3.902
   26   3HB   ALA   4          3HB       ALA   4  -7.627   5.104   2.563
   27    H    CYS   5           H        CYS   5  -5.579   1.424   0.781
   28    HA   CYS   5           HA       CYS   5  -4.131   2.958  -1.006
   29   1HB   CYS   5          2HB       CYS   5  -3.633   0.616  -0.622
   30   2HB   CYS   5          1HB       CYS   5  -5.169   0.139  -1.333
   31    H    ALA   6           H        ALA   6  -4.475   3.858  -2.956
   32    HA   ALA   6           HA       ALA   6  -7.189   4.273  -3.784
   33   1HB   ALA   6          1HB       ALA   6  -4.527   5.265  -4.717
   34   2HB   ALA   6          2HB       ALA   6  -5.888   6.168  -4.051
   35   3HB   ALA   6          3HB       ALA   6  -5.971   5.530  -5.693
   36    H    LEU   7           H        LEU   7  -4.482   2.324  -4.896
   37    HA   LEU   7           HA       LEU   7  -6.077   1.439  -7.189
   38   1HB   LEU   7          2HB       LEU   7  -3.957   0.432  -7.984
   39   2HB   LEU   7          1HB       LEU   7  -3.906   2.175  -7.833
   40    HG   LEU   7           HG       LEU   7  -2.934   0.602  -5.520
   41   1HD1  LEU   7          1HD1      LEU   7  -2.015  -0.603  -7.473
   42   2HD1  LEU   7          2HD1      LEU   7  -0.775   0.191  -6.502
   43   3HD1  LEU   7          3HD1      LEU   7  -1.294   0.907  -8.028
   44   1HD2  LEU   7          1HD2      LEU   7  -2.552   2.775  -5.062
   45   2HD2  LEU   7          2HD2      LEU   7  -2.535   3.241  -6.762
   46   3HD2  LEU   7          3HD2      LEU   7  -1.103   2.510  -6.034
   47    H    SER   8           H        SER   8  -5.372  -0.995  -7.744
   48    HA   SER   8           HA       SER   8  -6.728  -2.630  -5.985
   49   1HB   SER   8          2HB       SER   8  -5.811  -2.961  -8.482
   50   2HB   SER   8          1HB       SER   8  -4.596  -3.900  -7.616
   51    HG   SER   8           HG       SER   8  -7.300  -4.392  -7.983
   52    H    LYS   9           H        LYS   9  -5.345  -4.877  -5.422
   53    HA   LYS   9           HA       LYS   9  -4.142  -4.374  -2.987
   54   1HB   LYS   9          2HB       LYS   9  -3.849  -6.721  -4.859
   55   2HB   LYS   9          1HB       LYS   9  -3.160  -6.698  -3.242
   56   1HG   LYS   9          2HG       LYS   9  -5.164  -6.968  -2.234
   57   2HG   LYS   9          1HG       LYS   9  -6.031  -6.041  -3.460
   58   1HD   LYS   9          2HD       LYS   9  -6.445  -7.862  -4.727
   59   2HD   LYS   9          1HD       LYS   9  -4.871  -8.584  -4.384
   60   1HE   LYS   9          2HE       LYS   9  -5.605  -9.544  -2.398
   61   2HE   LYS   9          1HE       LYS   9  -6.980  -8.448  -2.265
   62   1HZ   LYS   9          1HZ       LYS   9  -7.187 -10.953  -3.114
   63   2HZ   LYS   9          2HZ       LYS   9  -6.949 -10.179  -4.599
   64   3HZ   LYS   9          3HZ       LYS   9  -8.239  -9.723  -3.606
   65    H    CYS  10           H        CYS  10  -2.060  -4.142  -2.256
   66    HA   CYS  10           HA       CYS  10   0.000  -3.723  -4.322
   67   1HB   CYS  10          2HB       CYS  10  -0.737  -2.109  -1.920
   68   2HB   CYS  10          1HB       CYS  10   0.951  -2.151  -2.418
   69    H    ALA  11           H        ALA  11  -0.713  -6.106  -2.613
   70    HA   ALA  11           HA       ALA  11   1.862  -7.067  -2.147
   71   1HB   ALA  11          1HB       ALA  11   2.388  -6.651   0.001
   72   2HB   ALA  11          2HB       ALA  11   0.715  -6.781   0.546
   73   3HB   ALA  11          3HB       ALA  11   1.290  -5.284  -0.189
   74    H    ALA  12           H        ALA  12   1.532  -8.890  -0.149
   75    HA   ALA  12           HA       ALA  12  -1.001 -10.265  -0.635
   76   1HB   ALA  12          1HB       ALA  12   1.666 -11.195  -1.537
   77   2HB   ALA  12          2HB       ALA  12   0.077 -11.430  -2.264
   78   3HB   ALA  12          3HB       ALA  12   0.563 -12.399  -0.873
   79    H    ALA  13           H        ALA  13   0.292  -8.921   1.660
   80    HA   ALA  13           HA       ALA  13  -0.344 -10.842   3.648
   81   1HB   ALA  13          1HB       ALA  13   1.841 -11.741   3.069
   82   2HB   ALA  13          2HB       ALA  13   1.861 -11.056   4.694
   83   3HB   ALA  13          3HB       ALA  13   2.580 -10.165   3.353
   84    H    ALA  14           H        ALA  14  -0.999  -8.110   2.919
   85    HA   ALA  14           HA       ALA  14  -1.482  -6.138   3.941
   86   1HB   ALA  14          1HB       ALA  14  -1.537  -6.056   6.357
   87   2HB   ALA  14          2HB       ALA  14  -0.531  -7.501   6.457
   88   3HB   ALA  14          3HB       ALA  14  -2.164  -7.607   5.800
   89    H    ASN  15           H        ASN  15   1.072  -6.462   2.724
   90    HA   ASN  15           HA       ASN  15   3.048  -5.243   4.434
   91   1HB   ASN  15          2HB       ASN  15   3.019  -6.577   1.889
   92   2HB   ASN  15          1HB       ASN  15   3.838  -5.028   1.719
   93   1HD2  ASN  15          1HD2      ASN  15   5.393  -4.571   3.599
   94   2HD2  ASN  15          2HD2      ASN  15   6.435  -5.879   4.035
   95    H    VAL  16           H        VAL  16   1.725  -3.386   5.010
   96    HA   VAL  16           HA       VAL  16   0.831  -1.470   3.174
   97    HB   VAL  16           HB       VAL  16   1.737  -0.947   6.006
   98   1HG1  VAL  16          1HG1      VAL  16   1.260   1.158   5.399
   99   2HG1  VAL  16          2HG1      VAL  16  -0.424   0.649   5.516
  100   3HG1  VAL  16          3HG1      VAL  16   0.391   0.646   3.952
  101   1HG2  VAL  16          1HG2      VAL  16   0.159  -2.442   6.559
  102   2HG2  VAL  16          2HG2      VAL  16  -0.557  -2.428   4.948
  103   3HG2  VAL  16          3HG2      VAL  16  -0.980  -1.173   6.111
  104    H    ALA  17           H        ALA  17   3.906  -1.730   4.931
  105    HA   ALA  17           HA       ALA  17   5.018   0.700   4.178
  106   1HB   ALA  17          1HB       ALA  17   5.879  -1.315   5.708
  107   2HB   ALA  17          2HB       ALA  17   6.956  -0.070   5.077
  108   3HB   ALA  17          3HB       ALA  17   6.842  -1.631   4.265
  109    H    ALA  18           H        ALA  18   5.030  -2.401   2.466
  110    HA   ALA  18           HA       ALA  18   6.655  -1.545   0.307
  111   1HB   ALA  18          1HB       ALA  18   6.169  -3.579  -0.695
  112   2HB   ALA  18          2HB       ALA  18   4.545  -3.644  -0.012
  113   3HB   ALA  18          3HB       ALA  18   5.947  -3.945   1.015
  114    H    HIS  19           H        HIS  19   3.324  -1.179   1.115
  115    HA   HIS  19           HA       HIS  19   2.449  -0.392  -1.507
  116   1HB   HIS  19          2HB       HIS  19   0.664  -1.281  -0.400
  117   2HB   HIS  19          1HB       HIS  19   1.247  -0.774   1.174
  118    HD2  HIS  19           2HD      HIS  19   0.170   1.494   2.163
  119    HE1  HIS  19           1HE      HIS  19  -2.223   2.409  -1.183
  120    HE2  HIS  19           2HE      HIS  19  -1.609   3.083   1.176
  121    H    MET  20           H        MET  20   2.743   1.327   1.621
  122    HA   MET  20           HA       MET  20   2.223   3.868   0.572
  123   1HB   MET  20          2HB       MET  20   2.283   3.132   3.011
  124   2HB   MET  20          1HB       MET  20   4.019   3.392   2.929
  125   1HG   MET  20          2HG       MET  20   3.082   5.721   1.903
  126   2HG   MET  20          1HG       MET  20   1.824   5.322   3.072
  127   1HE   MET  20          1HE       MET  20   2.362   4.672   5.574
  128   2HE   MET  20          2HE       MET  20   3.892   5.001   6.387
  129   3HE   MET  20          3HE       MET  20   3.773   3.668   5.239
  130    H    THR  21           H        THR  21   5.128   1.970   0.562
  131    HA   THR  21           HA       THR  21   7.092   3.884   0.235
  132    HB   THR  21           HB       THR  21   7.196   1.268   0.214
  133    HG1  THR  21           1HG      THR  21   8.954   2.780  -1.412
  134   1HG2  THR  21          1HG2      THR  21   7.717   1.489  -2.675
  135   2HG2  THR  21          2HG2      THR  21   6.026   1.400  -2.178
  136   3HG2  THR  21          3HG2      THR  21   7.150   0.120  -1.718
  137    H    HIS  22           H        HIS  22   4.520   2.958  -1.861
  138    HA   HIS  22           HA       HIS  22   5.374   4.982  -3.807
  139   1HB   HIS  22          2HB       HIS  22   4.428   3.493  -5.605
  140   2HB   HIS  22          1HB       HIS  22   5.898   2.887  -4.844
  141    HD1  HIS  22           1HD      HIS  22   5.743   0.451  -4.467
  142    HD2  HIS  22           2HD      HIS  22   2.070   2.325  -3.996
  143    HE1  HIS  22           1HE      HIS  22   4.136  -1.370  -3.810
  144    HE2  HIS  22           2HE      HIS  22   1.966  -0.180  -3.381
  145    H    CYS  23           H        CYS  23   2.967   3.923  -1.699
  146    HA   CYS  23           HA       CYS  23   0.887   5.301  -3.259
  147   1HB   CYS  23          2HB       CYS  23   0.786   2.985  -1.367
  148   2HB   CYS  23          1HB       CYS  23  -0.581   4.085  -1.414
  149    H    ALA  24           H        ALA  24   2.756   6.817  -1.880
  150    HA   ALA  24           HA       ALA  24   1.364   7.691   0.552
  151   1HB   ALA  24          1HB       ALA  24   3.937   7.166   0.354
  152   2HB   ALA  24          2HB       ALA  24   3.351   8.493   1.357
  153   3HB   ALA  24          3HB       ALA  24   3.998   8.820  -0.252
  154    H    LYS  25           H        LYS  25   0.223   8.284  -1.979
  155    HA   LYS  25           HA       LYS  25   0.125  11.176  -1.762
  156   1HB   LYS  25          2HB       LYS  25   0.486  11.555  -4.152
  157   2HB   LYS  25          1HB       LYS  25   1.903  10.827  -3.408
  158   1HG   LYS  25          2HG       LYS  25   0.754   8.597  -4.229
  159   2HG   LYS  25          1HG       LYS  25   0.005   9.697  -5.388
  160   1HD   LYS  25          2HD       LYS  25   2.904  10.042  -5.021
  161   2HD   LYS  25          1HD       LYS  25   2.414   8.509  -5.745
  162   1HE   LYS  25          2HE       LYS  25   1.261  11.073  -6.759
  163   2HE   LYS  25          1HE       LYS  25   2.879  10.581  -7.258
  164   1HZ   LYS  25          1HZ       LYS  25   0.831   9.873  -8.648
  165   2HZ   LYS  25          2HZ       LYS  25   0.651   8.673  -7.471
  166   3HZ   LYS  25          3HZ       LYS  25   2.076   8.758  -8.377
  Start of MODEL   17
    1   1H    ALA   1          1HT       ALA   1  -1.426   4.657   4.189
    2   2H    ALA   1          2HT       ALA   1  -2.360   4.239   2.811
    3   3H    ALA   1          3HT       ALA   1  -0.710   3.776   2.905
    4    HA   ALA   1           HA       ALA   1  -1.083   2.177   4.439
    5   1HB   ALA   1          1HB       ALA   1  -2.245   3.060   6.183
    6   2HB   ALA   1          2HB       ALA   1  -3.547   2.127   5.442
    7   3HB   ALA   1          3HB       ALA   1  -3.421   3.861   5.141
    8    H    VAL   2           H        VAL   2  -1.433   0.290   3.605
    9    HA   VAL   2           HA       VAL   2  -2.584  -0.158   1.138
   10    HB   VAL   2           HB       VAL   2  -0.985  -1.616   2.464
   11   1HG1  VAL   2          1HG1      VAL   2  -2.406  -1.816   4.475
   12   2HG1  VAL   2          2HG1      VAL   2  -1.906  -3.380   3.830
   13   3HG1  VAL   2          3HG1      VAL   2  -3.544  -2.790   3.544
   14   1HG2  VAL   2          1HG2      VAL   2  -1.574  -2.435   0.369
   15   2HG2  VAL   2          2HG2      VAL   2  -3.261  -2.667   0.823
   16   3HG2  VAL   2          3HG2      VAL   2  -2.022  -3.757   1.448
   17    H    SER   3           H        SER   3  -4.104   0.032   4.244
   18    HA   SER   3           HA       SER   3  -6.489  -1.377   3.563
   19   1HB   SER   3          2HB       SER   3  -5.571   0.322   5.828
   20   2HB   SER   3          1HB       SER   3  -7.312   0.156   5.601
   21    HG   SER   3           HG       SER   3  -6.948  -2.149   5.606
   22    H    ALA   4           H        ALA   4  -5.373   1.913   3.257
   23    HA   ALA   4           HA       ALA   4  -7.995   2.709   2.186
   24   1HB   ALA   4          1HB       ALA   4  -5.797   4.598   2.974
   25   2HB   ALA   4          2HB       ALA   4  -6.975   3.987   4.134
   26   3HB   ALA   4          3HB       ALA   4  -7.512   4.940   2.750
   27    H    CYS   5           H        CYS   5  -5.531   1.311   0.909
   28    HA   CYS   5           HA       CYS   5  -4.309   2.978  -0.944
   29   1HB   CYS   5          2HB       CYS   5  -3.591   0.674  -0.566
   30   2HB   CYS   5          1HB       CYS   5  -5.094   0.074  -1.256
   31    H    ALA   6           H        ALA   6  -4.801   3.700  -2.974
   32    HA   ALA   6           HA       ALA   6  -7.635   3.683  -3.659
   33   1HB   ALA   6          1HB       ALA   6  -5.660   5.248  -5.230
   34   2HB   ALA   6          2HB       ALA   6  -5.985   5.742  -3.568
   35   3HB   ALA   6          3HB       ALA   6  -7.302   5.663  -4.739
   36    H    LEU   7           H        LEU   7  -4.587   2.448  -4.828
   37    HA   LEU   7           HA       LEU   7  -5.772   1.697  -7.378
   38   1HB   LEU   7          2HB       LEU   7  -3.646   1.363  -8.172
   39   2HB   LEU   7          1HB       LEU   7  -3.388   2.639  -7.006
   40    HG   LEU   7           HG       LEU   7  -2.941   0.435  -5.471
   41   1HD1  LEU   7          1HD1      LEU   7  -2.393  -0.268  -8.306
   42   2HD1  LEU   7          2HD1      LEU   7  -2.940  -1.284  -6.972
   43   3HD1  LEU   7          3HD1      LEU   7  -1.248  -0.797  -7.074
   44   1HD2  LEU   7          1HD2      LEU   7  -1.580   2.545  -5.821
   45   2HD2  LEU   7          2HD2      LEU   7  -0.798   1.700  -7.156
   46   3HD2  LEU   7          3HD2      LEU   7  -0.669   1.067  -5.515
   47    H    SER   8           H        SER   8  -5.013  -0.603  -8.135
   48    HA   SER   8           HA       SER   8  -6.509  -2.481  -6.787
   49   1HB   SER   8          2HB       SER   8  -5.304  -2.450  -9.182
   50   2HB   SER   8          1HB       SER   8  -4.177  -3.496  -8.317
   51    HG   SER   8           HG       SER   8  -5.583  -5.024  -8.545
   52    H    LYS   9           H        LYS   9  -5.155  -4.776  -6.387
   53    HA   LYS   9           HA       LYS   9  -4.271  -4.647  -3.782
   54   1HB   LYS   9          2HB       LYS   9  -3.859  -6.641  -5.978
   55   2HB   LYS   9          1HB       LYS   9  -3.031  -6.859  -4.443
   56   1HG   LYS   9          2HG       LYS   9  -4.973  -7.265  -3.293
   57   2HG   LYS   9          1HG       LYS   9  -5.967  -6.366  -4.441
   58   1HD   LYS   9          2HD       LYS   9  -6.251  -8.153  -5.790
   59   2HD   LYS   9          1HD       LYS   9  -4.604  -8.734  -5.536
   60   1HE   LYS   9          2HE       LYS   9  -5.625 -10.365  -4.369
   61   2HE   LYS   9          1HE       LYS   9  -5.660  -9.155  -3.086
   62   1HZ   LYS   9          1HZ       LYS   9  -7.873  -8.879  -3.287
   63   2HZ   LYS   9          2HZ       LYS   9  -7.818 -10.437  -3.944
   64   3HZ   LYS   9          3HZ       LYS   9  -7.877  -9.091  -4.966
   65    H    CYS  10           H        CYS  10  -2.328  -4.439  -2.754
   66    HA   CYS  10           HA       CYS  10  -0.021  -3.716  -4.438
   67   1HB   CYS  10          2HB       CYS  10  -1.213  -2.362  -2.073
   68   2HB   CYS  10          1HB       CYS  10   0.544  -2.365  -2.196
   69    H    ALA  11           H        ALA  11  -1.073  -5.080  -1.346
   70    HA   ALA  11           HA       ALA  11   1.378  -6.699  -1.322
   71   1HB   ALA  11          1HB       ALA  11   0.230  -5.398   1.142
   72   2HB   ALA  11          2HB       ALA  11   1.614  -4.779   0.242
   73   3HB   ALA  11          3HB       ALA  11   1.707  -6.355   1.027
   74    H    ALA  12           H        ALA  12   1.018  -8.801  -0.997
   75    HA   ALA  12           HA       ALA  12  -1.700  -9.642  -0.302
   76   1HB   ALA  12          1HB       ALA  12  -1.089 -10.693  -2.276
   77   2HB   ALA  12          2HB       ALA  12  -0.738 -11.923  -1.062
   78   3HB   ALA  12          3HB       ALA  12   0.571 -10.956  -1.742
   79    H    ALA  13           H        ALA  13   0.229  -8.684   1.700
   80    HA   ALA  13           HA       ALA  13  -0.109 -10.820   3.595
   81   1HB   ALA  13          1HB       ALA  13   2.713  -9.969   3.508
   82   2HB   ALA  13          2HB       ALA  13   2.183 -11.023   2.198
   83   3HB   ALA  13          3HB       ALA  13   2.011 -11.545   3.873
   84    H    ALA  14           H        ALA  14  -0.884  -8.005   3.212
   85    HA   ALA  14           HA       ALA  14  -1.231  -6.161   4.494
   86   1HB   ALA  14          1HB       ALA  14  -1.167  -6.354   6.824
   87   2HB   ALA  14          2HB       ALA  14   0.150  -7.527   6.781
   88   3HB   ALA  14          3HB       ALA  14  -1.468  -7.998   6.261
   89    H    ASN  15           H        ASN  15   1.225  -6.491   2.957
   90    HA   ASN  15           HA       ASN  15   3.320  -5.235   4.499
   91   1HB   ASN  15          2HB       ASN  15   3.452  -6.880   2.405
   92   2HB   ASN  15          1HB       ASN  15   3.446  -5.355   1.524
   93   1HD2  ASN  15          1HD2      ASN  15   5.467  -7.580   2.361
   94   2HD2  ASN  15          2HD2      ASN  15   6.863  -6.664   2.804
   95    H    VAL  16           H        VAL  16   1.858  -3.418   5.082
   96    HA   VAL  16           HA       VAL  16   0.914  -1.545   3.236
   97    HB   VAL  16           HB       VAL  16   1.844  -0.968   6.050
   98   1HG1  VAL  16          1HG1      VAL  16  -0.360   0.584   5.531
   99   2HG1  VAL  16          2HG1      VAL  16   0.497   0.599   3.989
  100   3HG1  VAL  16          3HG1      VAL  16   1.316   1.124   5.460
  101   1HG2  VAL  16          1HG2      VAL  16   0.288  -2.470   6.640
  102   2HG2  VAL  16          2HG2      VAL  16  -0.434  -2.496   5.031
  103   3HG2  VAL  16          3HG2      VAL  16  -0.873  -1.227   6.174
  104    H    ALA  17           H        ALA  17   4.013  -1.691   4.967
  105    HA   ALA  17           HA       ALA  17   5.067   0.743   4.164
  106   1HB   ALA  17          1HB       ALA  17   5.999  -1.196   5.717
  107   2HB   ALA  17          2HB       ALA  17   7.063   0.008   4.990
  108   3HB   ALA  17          3HB       ALA  17   6.906  -1.588   4.257
  109    H    ALA  18           H        ALA  18   5.122  -2.376   2.484
  110    HA   ALA  18           HA       ALA  18   6.695  -1.534   0.291
  111   1HB   ALA  18          1HB       ALA  18   4.563  -3.641   0.101
  112   2HB   ALA  18          2HB       ALA  18   6.065  -3.922   0.981
  113   3HB   ALA  18          3HB       ALA  18   6.109  -3.554  -0.743
  114    H    HIS  19           H        HIS  19   3.343  -1.232   1.108
  115    HA   HIS  19           HA       HIS  19   2.442  -0.431  -1.489
  116   1HB   HIS  19          2HB       HIS  19   0.669  -1.292  -0.338
  117   2HB   HIS  19          1HB       HIS  19   1.285  -0.765   1.219
  118    HD2  HIS  19           2HD      HIS  19   0.240   1.523   2.194
  119    HE1  HIS  19           1HE      HIS  19  -2.199   2.417  -1.125
  120    HE2  HIS  19           2HE      HIS  19  -1.542   3.114   1.216
  121    H    MET  20           H        MET  20   2.788   1.328   1.612
  122    HA   MET  20           HA       MET  20   2.282   3.857   0.528
  123   1HB   MET  20          2HB       MET  20   2.373   3.140   2.982
  124   2HB   MET  20          1HB       MET  20   4.103   3.425   2.872
  125   1HG   MET  20          2HG       MET  20   3.106   5.721   1.819
  126   2HG   MET  20          1HG       MET  20   1.882   5.322   3.023
  127   1HE   MET  20          1HE       MET  20   3.243   8.052   3.611
  128   2HE   MET  20          2HE       MET  20   3.562   7.782   5.325
  129   3HE   MET  20          3HE       MET  20   2.085   7.155   4.593
  130    H    THR  21           H        THR  21   5.169   1.933   0.517
  131    HA   THR  21           HA       THR  21   7.143   3.827   0.142
  132    HB   THR  21           HB       THR  21   7.223   1.206   0.161
  133    HG1  THR  21           1HG      THR  21   9.297   1.335  -0.626
  134   1HG2  THR  21          1HG2      THR  21   7.728   1.410  -2.738
  135   2HG2  THR  21          2HG2      THR  21   6.047   1.294  -2.217
  136   3HG2  THR  21          3HG2      THR  21   7.199   0.038  -1.766
  137    H    HIS  22           H        HIS  22   4.544   2.881  -1.911
  138    HA   HIS  22           HA       HIS  22   5.394   4.862  -3.904
  139   1HB   HIS  22          2HB       HIS  22   4.402   3.348  -5.659
  140   2HB   HIS  22          1HB       HIS  22   5.884   2.753  -4.916
  141    HD1  HIS  22           1HD      HIS  22   5.738   0.328  -4.466
  142    HD2  HIS  22           2HD      HIS  22   2.066   2.209  -4.012
  143    HE1  HIS  22           1HE      HIS  22   4.138  -1.479  -3.758
  144    HE2  HIS  22           2HE      HIS  22   1.961  -0.289  -3.364
  145    H    CYS  23           H        CYS  23   3.005   3.869  -1.746
  146    HA   CYS  23           HA       CYS  23   0.919   5.242  -3.301
  147   1HB   CYS  23          2HB       CYS  23   0.818   2.960  -1.367
  148   2HB   CYS  23          1HB       CYS  23  -0.541   4.069  -1.428
  149    H    ALA  24           H        ALA  24   2.400   7.073  -2.331
  150    HA   ALA  24           HA       ALA  24   1.512   7.776   0.373
  151   1HB   ALA  24          1HB       ALA  24   3.760   8.723  -1.368
  152   2HB   ALA  24          2HB       ALA  24   3.825   8.018   0.247
  153   3HB   ALA  24          3HB       ALA  24   3.229   9.663   0.026
  154    H    LYS  25           H        LYS  25  -0.360   7.901  -1.786
  155    HA   LYS  25           HA       LYS  25  -1.177  10.662  -1.490
  156   1HB   LYS  25          2HB       LYS  25  -1.460  11.073  -3.875
  157   2HB   LYS  25          1HB       LYS  25   0.227  10.734  -3.509
  158   1HG   LYS  25          2HG       LYS  25  -1.416   8.416  -4.293
  159   2HG   LYS  25          1HG       LYS  25  -1.107   9.619  -5.548
  160   1HD   LYS  25          2HD       LYS  25   1.221   8.821  -3.921
  161   2HD   LYS  25          1HD       LYS  25   0.561   7.578  -4.984
  162   1HE   LYS  25          2HE       LYS  25   0.592   9.695  -6.660
  163   2HE   LYS  25          1HE       LYS  25   1.973  10.081  -5.635
  164   1HZ   LYS  25          1HZ       LYS  25   2.131   8.514  -7.769
  165   2HZ   LYS  25          2HZ       LYS  25   1.818   7.341  -6.592
  166   3HZ   LYS  25          3HZ       LYS  25   3.159   8.359  -6.434
  Start of MODEL   18
    1   1H    ALA   1          1HT       ALA   1  -1.404   5.033   4.078
    2   2H    ALA   1          2HT       ALA   1  -2.287   4.570   2.680
    3   3H    ALA   1          3HT       ALA   1  -0.663   4.052   2.884
    4    HA   ALA   1           HA       ALA   1  -1.173   2.550   4.469
    5   1HB   ALA   1          1HB       ALA   1  -2.572   4.353   5.694
    6   2HB   ALA   1          2HB       ALA   1  -2.951   2.651   5.952
    7   3HB   ALA   1          3HB       ALA   1  -3.942   3.618   4.860
    8    H    VAL   2           H        VAL   2  -1.630   0.625   3.760
    9    HA   VAL   2           HA       VAL   2  -2.744   0.132   1.265
   10    HB   VAL   2           HB       VAL   2  -1.196  -1.325   2.676
   11   1HG1  VAL   2          1HG1      VAL   2  -3.065  -1.361   4.532
   12   2HG1  VAL   2          2HG1      VAL   2  -1.995  -2.741   4.284
   13   3HG1  VAL   2          3HG1      VAL   2  -3.628  -2.759   3.617
   14   1HG2  VAL   2          1HG2      VAL   2  -3.474  -2.396   1.040
   15   2HG2  VAL   2          2HG2      VAL   2  -2.212  -3.454   1.673
   16   3HG2  VAL   2          3HG2      VAL   2  -1.795  -2.145   0.566
   17    H    SER   3           H        SER   3  -4.288   0.572   4.316
   18    HA   SER   3           HA       SER   3  -6.686  -0.855   3.762
   19   1HB   SER   3          2HB       SER   3  -5.707   0.079   6.031
   20   2HB   SER   3          1HB       SER   3  -6.661   1.500   5.608
   21    HG   SER   3           HG       SER   3  -7.746  -1.113   5.622
   22    H    ALA   4           H        ALA   4  -5.618   2.460   3.258
   23    HA   ALA   4           HA       ALA   4  -8.194   3.085   1.988
   24   1HB   ALA   4          1HB       ALA   4  -7.005   5.471   2.062
   25   2HB   ALA   4          2HB       ALA   4  -6.161   4.703   3.406
   26   3HB   ALA   4          3HB       ALA   4  -7.920   4.821   3.421
   27    H    CYS   5           H        CYS   5  -5.711   1.606   0.903
   28    HA   CYS   5           HA       CYS   5  -4.486   3.173  -1.069
   29   1HB   CYS   5          2HB       CYS   5  -3.590   1.008  -0.427
   30   2HB   CYS   5          1HB       CYS   5  -5.034   0.202  -1.023
   31    H    ALA   6           H        ALA   6  -4.969   3.652  -3.158
   32    HA   ALA   6           HA       ALA   6  -7.754   3.379  -3.932
   33   1HB   ALA   6          1HB       ALA   6  -5.856   4.671  -5.783
   34   2HB   ALA   6          2HB       ALA   6  -6.029   5.429  -4.201
   35   3HB   ALA   6          3HB       ALA   6  -7.443   5.202  -5.229
   36    H    LEU   7           H        LEU   7  -4.595   2.193  -4.885
   37    HA   LEU   7           HA       LEU   7  -5.807   0.695  -7.094
   38   1HB   LEU   7          2HB       LEU   7  -3.551   0.374  -7.905
   39   2HB   LEU   7          1HB       LEU   7  -3.878   2.076  -7.668
   40    HG   LEU   7           HG       LEU   7  -2.717   1.146  -5.270
   41   1HD1  LEU   7          1HD1      LEU   7  -1.443   0.016  -7.729
   42   2HD1  LEU   7          2HD1      LEU   7  -1.749  -0.758  -6.174
   43   3HD1  LEU   7          3HD1      LEU   7  -0.472   0.448  -6.322
   44   1HD2  LEU   7          1HD2      LEU   7  -2.344   3.354  -5.887
   45   2HD2  LEU   7          2HD2      LEU   7  -1.866   2.918  -7.527
   46   3HD2  LEU   7          3HD2      LEU   7  -0.782   2.591  -6.176
   47    H    SER   8           H        SER   8  -6.700  -1.066  -6.098
   48    HA   SER   8           HA       SER   8  -5.848  -2.502  -3.950
   49   1HB   SER   8          2HB       SER   8  -6.933  -3.959  -6.340
   50   2HB   SER   8          1HB       SER   8  -7.281  -4.217  -4.630
   51    HG   SER   8           HG       SER   8  -8.381  -2.410  -6.416
   52    H    LYS   9           H        LYS   9  -4.895  -4.716  -3.869
   53    HA   LYS   9           HA       LYS   9  -3.120  -6.113  -4.120
   54   1HB   LYS   9          2HB       LYS   9  -3.430  -5.212  -6.984
   55   2HB   LYS   9          1HB       LYS   9  -2.281  -6.446  -6.485
   56   1HG   LYS   9          2HG       LYS   9  -5.274  -6.575  -6.177
   57   2HG   LYS   9          1HG       LYS   9  -4.301  -7.456  -7.357
   58   1HD   LYS   9          2HD       LYS   9  -4.444  -9.085  -5.785
   59   2HD   LYS   9          1HD       LYS   9  -3.055  -8.225  -5.119
   60   1HE   LYS   9          2HE       LYS   9  -4.279  -8.213  -3.231
   61   2HE   LYS   9          1HE       LYS   9  -5.086  -6.843  -3.991
   62   1HZ   LYS   9          1HZ       LYS   9  -6.393  -8.943  -3.070
   63   2HZ   LYS   9          2HZ       LYS   9  -6.109  -9.491  -4.644
   64   3HZ   LYS   9          3HZ       LYS   9  -6.942  -8.041  -4.392
   65    H    CYS  10           H        CYS  10  -1.685  -4.985  -2.821
   66    HA   CYS  10           HA       CYS  10   0.418  -3.560  -4.287
   67   1HB   CYS  10          2HB       CYS  10  -1.279  -2.500  -2.111
   68   2HB   CYS  10          1HB       CYS  10   0.445  -2.177  -1.959
   69    H    ALA  11           H        ALA  11  -0.149  -6.218  -2.686
   70    HA   ALA  11           HA       ALA  11   2.461  -6.805  -1.995
   71   1HB   ALA  11          1HB       ALA  11   0.884  -5.617   0.255
   72   2HB   ALA  11          2HB       ALA  11   2.557  -5.320  -0.216
   73   3HB   ALA  11          3HB       ALA  11   2.119  -6.835   0.573
   74    H    ALA  12           H        ALA  12  -0.914  -7.276  -1.077
   75    HA   ALA  12           HA       ALA  12  -2.176  -9.146  -0.789
   76   1HB   ALA  12          1HB       ALA  12  -0.769  -9.628  -3.013
   77   2HB   ALA  12          2HB       ALA  12  -1.903 -10.789  -2.325
   78   3HB   ALA  12          3HB       ALA  12  -0.175 -10.950  -2.009
   79    H    ALA  13           H        ALA  13  -0.113  -8.387   1.183
   80    HA   ALA  13           HA       ALA  13  -0.268 -10.771   2.794
   81   1HB   ALA  13          1HB       ALA  13   1.720 -11.434   1.776
   82   2HB   ALA  13          2HB       ALA  13   2.258 -10.653   3.263
   83   3HB   ALA  13          3HB       ALA  13   2.355  -9.790   1.728
   84    H    ALA  14           H        ALA  14  -1.140  -7.935   2.823
   85    HA   ALA  14           HA       ALA  14  -1.444  -6.270   4.341
   86   1HB   ALA  14          1HB       ALA  14  -0.039  -7.726   6.507
   87   2HB   ALA  14          2HB       ALA  14  -1.467  -8.490   5.808
   88   3HB   ALA  14          3HB       ALA  14  -1.589  -6.883   6.523
   89    H    ASN  15           H        ASN  15   0.998  -6.381   2.752
   90    HA   ASN  15           HA       ASN  15   3.051  -5.272   4.490
   91   1HB   ASN  15          2HB       ASN  15   3.216  -6.796   2.242
   92   2HB   ASN  15          1HB       ASN  15   3.455  -5.189   1.565
   93   1HD2  ASN  15          1HD2      ASN  15   4.754  -4.014   3.759
   94   2HD2  ASN  15          2HD2      ASN  15   6.319  -4.733   3.907
   95    H    VAL  16           H        VAL  16   1.740  -3.432   5.114
   96    HA   VAL  16           HA       VAL  16   0.801  -1.502   3.304
   97    HB   VAL  16           HB       VAL  16   1.709  -1.013   6.142
   98   1HG1  VAL  16          1HG1      VAL  16  -0.433   0.600   5.703
   99   2HG1  VAL  16          2HG1      VAL  16   0.334   0.602   4.115
  100   3HG1  VAL  16          3HG1      VAL  16   1.251   1.101   5.536
  101   1HG2  VAL  16          1HG2      VAL  16  -0.163  -1.964   6.949
  102   2HG2  VAL  16          2HG2      VAL  16  -0.152  -2.851   5.424
  103   3HG2  VAL  16          3HG2      VAL  16  -1.151  -1.408   5.597
  104    H    ALA  17           H        ALA  17   3.890  -1.765   5.033
  105    HA   ALA  17           HA       ALA  17   4.974   0.687   4.285
  106   1HB   ALA  17          1HB       ALA  17   6.540  -1.869   4.602
  107   2HB   ALA  17          2HB       ALA  17   5.940  -0.909   5.955
  108   3HB   ALA  17          3HB       ALA  17   7.117  -0.219   4.837
  109    H    ALA  18           H        ALA  18   5.001  -2.419   2.589
  110    HA   ALA  18           HA       ALA  18   6.626  -1.587   0.427
  111   1HB   ALA  18          1HB       ALA  18   5.116  -3.520  -0.695
  112   2HB   ALA  18          2HB       ALA  18   4.859  -3.878   1.013
  113   3HB   ALA  18          3HB       ALA  18   6.495  -3.845   0.355
  114    H    HIS  19           H        HIS  19   3.283  -1.203   1.221
  115    HA   HIS  19           HA       HIS  19   2.407  -0.419  -1.390
  116   1HB   HIS  19          2HB       HIS  19   0.609  -1.212  -0.232
  117   2HB   HIS  19          1HB       HIS  19   1.234  -0.677   1.319
  118    HD2  HIS  19           2HD      HIS  19   0.274   1.680   2.238
  119    HE1  HIS  19           1HE      HIS  19  -2.140   2.562  -1.106
  120    HE2  HIS  19           2HE      HIS  19  -1.453   3.304   1.214
  121    H    MET  20           H        MET  20   2.771   1.386   1.686
  122    HA   MET  20           HA       MET  20   2.343   3.908   0.553
  123   1HB   MET  20          2HB       MET  20   2.377   3.260   3.013
  124   2HB   MET  20          1HB       MET  20   4.122   3.435   2.925
  125   1HG   MET  20          2HG       MET  20   4.029   5.696   2.752
  126   2HG   MET  20          1HG       MET  20   2.474   5.678   1.924
  127   1HE   MET  20          1HE       MET  20   1.038   7.426   3.246
  128   2HE   MET  20          2HE       MET  20   0.080   6.668   4.517
  129   3HE   MET  20          3HE       MET  20   0.259   5.870   2.955
  130    H    THR  21           H        THR  21   5.185   1.914   0.621
  131    HA   THR  21           HA       THR  21   7.206   3.753   0.218
  132    HB   THR  21           HB       THR  21   7.220   1.130   0.313
  133    HG1  THR  21           1HG      THR  21   9.250   1.552   0.175
  134   1HG2  THR  21          1HG2      THR  21   7.233  -0.088  -1.593
  135   2HG2  THR  21          2HG2      THR  21   7.755   1.269  -2.593
  136   3HG2  THR  21          3HG2      THR  21   6.075   1.155  -2.067
  137    H    HIS  22           H        HIS  22   4.607   2.820  -1.838
  138    HA   HIS  22           HA       HIS  22   5.532   4.721  -3.874
  139   1HB   HIS  22          2HB       HIS  22   4.569   3.189  -5.612
  140   2HB   HIS  22          1HB       HIS  22   5.994   2.552  -4.795
  141    HD1  HIS  22           1HD      HIS  22   5.711   0.134  -4.371
  142    HD2  HIS  22           2HD      HIS  22   2.141   2.208  -3.949
  143    HE1  HIS  22           1HE      HIS  22   4.012  -1.581  -3.660
  144    HE2  HIS  22           2HE      HIS  22   1.905  -0.271  -3.270
  145    H    CYS  23           H        CYS  23   3.089   3.854  -1.724
  146    HA   CYS  23           HA       CYS  23   1.056   5.204  -3.370
  147   1HB   CYS  23          2HB       CYS  23   0.881   2.993  -1.365
  148   2HB   CYS  23          1HB       CYS  23  -0.445   4.141  -1.446
  149    H    ALA  24           H        ALA  24   2.576   7.035  -2.442
  150    HA   ALA  24           HA       ALA  24   1.302   8.017   0.029
  151   1HB   ALA  24          1HB       ALA  24   3.897   7.392  -0.099
  152   2HB   ALA  24          2HB       ALA  24   3.278   8.710   0.896
  153   3HB   ALA  24          3HB       ALA  24   3.980   9.053  -0.686
  154    H    LYS  25           H        LYS  25  -0.208   8.752  -1.813
  155    HA   LYS  25           HA       LYS  25   0.046  11.541  -2.091
  156   1HB   LYS  25          2HB       LYS  25   0.325  11.727  -4.516
  157   2HB   LYS  25          1HB       LYS  25   1.727  10.968  -3.775
  158   1HG   LYS  25          2HG       LYS  25   0.415   8.761  -4.386
  159   2HG   LYS  25          1HG       LYS  25  -0.318   9.820  -5.593
  160   1HD   LYS  25          2HD       LYS  25   2.298  10.460  -5.880
  161   2HD   LYS  25          1HD       LYS  25   2.424   8.762  -5.411
  162   1HE   LYS  25          2HE       LYS  25   0.809   8.200  -7.207
  163   2HE   LYS  25          1HE       LYS  25   0.830   9.889  -7.709
  164   1HZ   LYS  25          1HZ       LYS  25   2.432   9.120  -9.074
  165   2HZ   LYS  25          2HZ       LYS  25   2.843   7.820  -8.073
  166   3HZ   LYS  25          3HZ       LYS  25   3.424   9.370  -7.726
  Start of MODEL   19
    1   1H    ALA   1          1HT       ALA   1  -2.335   4.238   2.820
    2   2H    ALA   1          2HT       ALA   1  -0.689   3.762   2.911
    3   3H    ALA   1          3HT       ALA   1  -1.401   4.647   4.198
    4    HA   ALA   1           HA       ALA   1  -1.074   2.165   4.446
    5   1HB   ALA   1          1HB       ALA   1  -3.523   2.119   5.458
    6   2HB   ALA   1          2HB       ALA   1  -3.419   3.850   5.136
    7   3HB   ALA   1          3HB       ALA   1  -2.231   3.076   6.184
    8    H    VAL   2           H        VAL   2  -1.432   0.281   3.604
    9    HA   VAL   2           HA       VAL   2  -2.582  -0.155   1.138
   10    HB   VAL   2           HB       VAL   2  -0.993  -1.625   2.464
   11   1HG1  VAL   2          1HG1      VAL   2  -3.548  -2.821   3.525
   12   2HG1  VAL   2          2HG1      VAL   2  -2.454  -1.807   4.465
   13   3HG1  VAL   2          3HG1      VAL   2  -1.901  -3.363   3.846
   14   1HG2  VAL   2          1HG2      VAL   2  -2.029  -3.757   1.440
   15   2HG2  VAL   2          2HG2      VAL   2  -1.591  -2.429   0.362
   16   3HG2  VAL   2          3HG2      VAL   2  -3.276  -2.670   0.825
   17    H    SER   3           H        SER   3  -4.106   0.039   4.241
   18    HA   SER   3           HA       SER   3  -6.496  -1.360   3.559
   19   1HB   SER   3          2HB       SER   3  -5.649   0.438   5.802
   20   2HB   SER   3          1HB       SER   3  -7.362   0.072   5.593
   21    HG   SER   3           HG       SER   3  -6.724  -2.182   5.625
   22    H    ALA   4           H        ALA   4  -5.369   1.929   3.252
   23    HA   ALA   4           HA       ALA   4  -7.986   2.731   2.172
   24   1HB   ALA   4          1HB       ALA   4  -5.793   4.636   2.920
   25   2HB   ALA   4          2HB       ALA   4  -6.918   4.003   4.120
   26   3HB   ALA   4          3HB       ALA   4  -7.520   4.946   2.757
   27    H    CYS   5           H        CYS   5  -5.525   1.318   0.904
   28    HA   CYS   5           HA       CYS   5  -4.301   2.976  -0.958
   29   1HB   CYS   5          2HB       CYS   5  -3.580   0.676  -0.564
   30   2HB   CYS   5          1HB       CYS   5  -5.081   0.069  -1.251
   31    H    ALA   6           H        ALA   6  -4.788   3.677  -2.998
   32    HA   ALA   6           HA       ALA   6  -7.623   3.652  -3.685
   33   1HB   ALA   6          1HB       ALA   6  -5.368   5.271  -4.861
   34   2HB   ALA   6          2HB       ALA   6  -6.464   5.805  -3.586
   35   3HB   ALA   6          3HB       ALA   6  -7.085   5.475  -5.203
   36    H    LEU   7           H        LEU   7  -4.566   2.424  -4.841
   37    HA   LEU   7           HA       LEU   7  -5.746   1.642  -7.384
   38   1HB   LEU   7          2HB       LEU   7  -3.618   1.312  -8.176
   39   2HB   LEU   7          1HB       LEU   7  -3.374   2.610  -7.031
   40    HG   LEU   7           HG       LEU   7  -2.906   0.424  -5.466
   41   1HD1  LEU   7          1HD1      LEU   7  -2.235  -0.262  -8.292
   42   2HD1  LEU   7          2HD1      LEU   7  -2.918  -1.276  -7.023
   43   3HD1  LEU   7          3HD1      LEU   7  -1.210  -0.839  -6.979
   44   1HD2  LEU   7          1HD2      LEU   7  -1.580   2.552  -5.807
   45   2HD2  LEU   7          2HD2      LEU   7  -0.781   1.729  -7.147
   46   3HD2  LEU   7          3HD2      LEU   7  -0.640   1.091  -5.509
   47    H    SER   8           H        SER   8  -5.030  -0.651  -8.134
   48    HA   SER   8           HA       SER   8  -6.488  -2.530  -6.760
   49   1HB   SER   8          2HB       SER   8  -4.456  -2.620  -8.911
   50   2HB   SER   8          1HB       SER   8  -4.762  -4.139  -8.070
   51    HG   SER   8           HG       SER   8  -6.637  -2.503  -9.427
   52    H    LYS   9           H        LYS   9  -5.233  -4.799  -6.252
   53    HA   LYS   9           HA       LYS   9  -4.282  -4.612  -3.685
   54   1HB   LYS   9          2HB       LYS   9  -3.806  -6.699  -5.804
   55   2HB   LYS   9          1HB       LYS   9  -3.200  -6.884  -4.164
   56   1HG   LYS   9          2HG       LYS   9  -5.307  -7.126  -3.266
   57   2HG   LYS   9          1HG       LYS   9  -6.088  -6.289  -4.610
   58   1HD   LYS   9          2HD       LYS   9  -6.668  -8.472  -5.053
   59   2HD   LYS   9          1HD       LYS   9  -5.187  -8.317  -6.000
   60   1HE   LYS   9          2HE       LYS   9  -3.908  -9.367  -4.231
   61   2HE   LYS   9          1HE       LYS   9  -5.340  -9.441  -3.206
   62   1HZ   LYS   9          1HZ       LYS   9  -4.608 -11.504  -4.573
   63   2HZ   LYS   9          2HZ       LYS   9  -5.397 -10.724  -5.850
   64   3HZ   LYS   9          3HZ       LYS   9  -6.252 -11.122  -4.446
   65    H    CYS  10           H        CYS  10  -2.350  -4.315  -2.699
   66    HA   CYS  10           HA       CYS  10  -0.051  -3.712  -4.442
   67   1HB   CYS  10          2HB       CYS  10  -1.154  -2.333  -2.049
   68   2HB   CYS  10          1HB       CYS  10   0.598  -2.365  -2.223
   69    H    ALA  11           H        ALA  11  -1.088  -5.123  -1.377
   70    HA   ALA  11           HA       ALA  11   1.341  -6.765  -1.392
   71   1HB   ALA  11          1HB       ALA  11   1.725  -4.890   0.156
   72   2HB   ALA  11          2HB       ALA  11   1.687  -6.447   0.985
   73   3HB   ALA  11          3HB       ALA  11   0.293  -5.369   1.068
   74    H    ALA  12           H        ALA  12   0.951  -8.858  -1.030
   75    HA   ALA  12           HA       ALA  12  -1.770  -9.637  -0.277
   76   1HB   ALA  12          1HB       ALA  12   0.420 -10.939  -1.818
   77   2HB   ALA  12          2HB       ALA  12  -1.292 -10.774  -2.208
   78   3HB   ALA  12          3HB       ALA  12  -0.771 -11.956  -1.007
   79    H    ALA  13           H        ALA  13   0.204  -8.698   1.683
   80    HA   ALA  13           HA       ALA  13  -0.125 -10.824   3.595
   81   1HB   ALA  13          1HB       ALA  13   2.006 -11.532   3.873
   82   2HB   ALA  13          2HB       ALA  13   2.699  -9.970   3.437
   83   3HB   ALA  13          3HB       ALA  13   2.135 -11.066   2.177
   84    H    ALA  14           H        ALA  14  -0.899  -8.007   3.207
   85    HA   ALA  14           HA       ALA  14  -1.226  -6.156   4.484
   86   1HB   ALA  14          1HB       ALA  14  -1.798  -7.149   6.429
   87   2HB   ALA  14          2HB       ALA  14  -0.245  -6.508   6.965
   88   3HB   ALA  14          3HB       ALA  14  -0.374  -8.188   6.445
   89    H    ASN  15           H        ASN  15   1.213  -6.500   2.924
   90    HA   ASN  15           HA       ASN  15   3.331  -5.252   4.437
   91   1HB   ASN  15          2HB       ASN  15   3.324  -6.853   2.236
   92   2HB   ASN  15          1HB       ASN  15   3.524  -5.272   1.490
   93   1HD2  ASN  15          1HD2      ASN  15   4.986  -4.037   3.543
   94   2HD2  ASN  15          2HD2      ASN  15   6.552  -4.765   3.603
   95    H    VAL  16           H        VAL  16   1.879  -3.437   5.048
   96    HA   VAL  16           HA       VAL  16   0.927  -1.549   3.214
   97    HB   VAL  16           HB       VAL  16   1.850  -0.996   6.036
   98   1HG1  VAL  16          1HG1      VAL  16  -0.356   0.555   5.527
   99   2HG1  VAL  16          2HG1      VAL  16   0.501   0.583   3.986
  100   3HG1  VAL  16          3HG1      VAL  16   1.319   1.099   5.461
  101   1HG2  VAL  16          1HG2      VAL  16   0.301  -2.515   6.604
  102   2HG2  VAL  16          2HG2      VAL  16  -0.428  -2.514   4.998
  103   3HG2  VAL  16          3HG2      VAL  16  -0.861  -1.263   6.163
  104    H    ALA  17           H        ALA  17   4.023  -1.712   4.950
  105    HA   ALA  17           HA       ALA  17   5.076   0.733   4.174
  106   1HB   ALA  17          1HB       ALA  17   6.446  -1.895   4.709
  107   2HB   ALA  17          2HB       ALA  17   6.229  -0.541   5.816
  108   3HB   ALA  17          3HB       ALA  17   7.317  -0.386   4.438
  109    H    ALA  18           H        ALA  18   5.139  -2.369   2.462
  110    HA   ALA  18           HA       ALA  18   6.718  -1.498   0.284
  111   1HB   ALA  18          1HB       ALA  18   4.655  -3.549  -0.240
  112   2HB   ALA  18          2HB       ALA  18   5.797  -3.905   1.056
  113   3HB   ALA  18          3HB       ALA  18   6.387  -3.570  -0.572
  114    H    HIS  19           H        HIS  19   3.361  -1.226   1.093
  115    HA   HIS  19           HA       HIS  19   2.462  -0.405  -1.498
  116   1HB   HIS  19          2HB       HIS  19   0.691  -1.282  -0.356
  117   2HB   HIS  19          1HB       HIS  19   1.302  -0.766   1.205
  118    HD2  HIS  19           2HD      HIS  19   0.255   1.517   2.194
  119    HE1  HIS  19           1HE      HIS  19  -2.191   2.418  -1.118
  120    HE2  HIS  19           2HE      HIS  19  -1.533   3.108   1.225
  121    H    MET  20           H        MET  20   2.799   1.328   1.619
  122    HA   MET  20           HA       MET  20   2.275   3.863   0.558
  123   1HB   MET  20          2HB       MET  20   2.370   3.127   3.005
  124   2HB   MET  20          1HB       MET  20   4.099   3.423   2.898
  125   1HG   MET  20          2HG       MET  20   3.849   5.675   2.786
  126   2HG   MET  20          1HG       MET  20   2.287   5.571   1.978
  127   1HE   MET  20          1HE       MET  20   0.890   7.457   3.805
  128   2HE   MET  20          2HE       MET  20  -0.181   6.231   4.482
  129   3HE   MET  20          3HE       MET  20   0.364   6.099   2.810
  130    H    THR  21           H        THR  21   5.177   1.961   0.539
  131    HA   THR  21           HA       THR  21   7.136   3.876   0.176
  132    HB   THR  21           HB       THR  21   7.236   1.254   0.185
  133    HG1  THR  21           1HG      THR  21   9.014   2.699  -1.476
  134   1HG2  THR  21          1HG2      THR  21   7.786   1.438  -2.696
  135   2HG2  THR  21          2HG2      THR  21   6.087   1.387  -2.227
  136   3HG2  THR  21          3HG2      THR  21   7.177   0.092  -1.733
  137    H    HIS  22           H        HIS  22   4.547   2.925  -1.884
  138    HA   HIS  22           HA       HIS  22   5.390   4.919  -3.867
  139   1HB   HIS  22          2HB       HIS  22   4.431   3.404  -5.635
  140   2HB   HIS  22          1HB       HIS  22   5.907   2.811  -4.876
  141    HD1  HIS  22           1HD      HIS  22   5.761   0.381  -4.458
  142    HD2  HIS  22           2HD      HIS  22   2.084   2.251  -4.000
  143    HE1  HIS  22           1HE      HIS  22   4.161  -1.434  -3.770
  144    HE2  HIS  22           2HE      HIS  22   1.981  -0.251  -3.373
  145    H    CYS  23           H        CYS  23   2.999   3.921  -1.717
  146    HA   CYS  23           HA       CYS  23   0.910   5.255  -3.304
  147   1HB   CYS  23          2HB       CYS  23   0.820   2.988  -1.354
  148   2HB   CYS  23          1HB       CYS  23  -0.548   4.087  -1.418
  149    H    ALA  24           H        ALA  24   0.620   7.290  -2.718
  150    HA   ALA  24           HA       ALA  24   0.120   7.976   0.026
  151   1HB   ALA  24          1HB       ALA  24   2.710   8.024  -0.461
  152   2HB   ALA  24          2HB       ALA  24   1.941   9.264   0.529
  153   3HB   ALA  24          3HB       ALA  24   2.316   9.593  -1.162
  154    H    LYS  25           H        LYS  25  -1.386   8.065  -2.379
  155    HA   LYS  25           HA       LYS  25  -2.129  10.871  -2.341
  156   1HB   LYS  25          2HB       LYS  25  -2.104  11.118  -4.766
  157   2HB   LYS  25          1HB       LYS  25  -0.492  10.748  -4.171
  158   1HG   LYS  25          2HG       LYS  25  -2.177   8.473  -5.040
  159   2HG   LYS  25          1HG       LYS  25  -1.541   9.547  -6.288
  160   1HD   LYS  25          2HD       LYS  25   0.400   8.718  -4.237
  161   2HD   LYS  25          1HD       LYS  25  -0.202   7.421  -5.272
  162   1HE   LYS  25          2HE       LYS  25   0.292   9.331  -7.115
  163   2HE   LYS  25          1HE       LYS  25   1.527   9.717  -5.917
  164   1HZ   LYS  25          1HZ       LYS  25   2.494   8.194  -7.402
  165   2HZ   LYS  25          2HZ       LYS  25   1.149   7.169  -7.378
  166   3HZ   LYS  25          3HZ       LYS  25   2.139   7.296  -6.012
  Start of MODEL   20
    1   1H    ALA   1          1HT       ALA   1  -2.293   4.573   2.664
    2   2H    ALA   1          2HT       ALA   1  -0.668   4.064   2.874
    3   3H    ALA   1          3HT       ALA   1  -1.422   5.045   4.062
    4    HA   ALA   1           HA       ALA   1  -1.174   2.563   4.459
    5   1HB   ALA   1          1HB       ALA   1  -2.358   3.565   6.116
    6   2HB   ALA   1          2HB       ALA   1  -3.685   2.683   5.359
    7   3HB   ALA   1          3HB       ALA   1  -3.441   4.392   4.997
    8    H    VAL   2           H        VAL   2  -1.624   0.634   3.758
    9    HA   VAL   2           HA       VAL   2  -2.732   0.129   1.262
   10    HB   VAL   2           HB       VAL   2  -1.180  -1.318   2.676
   11   1HG1  VAL   2          1HG1      VAL   2  -3.677  -2.653   3.650
   12   2HG1  VAL   2          2HG1      VAL   2  -2.926  -1.357   4.581
   13   3HG1  VAL   2          3HG1      VAL   2  -2.019  -2.827   4.225
   14   1HG2  VAL   2          1HG2      VAL   2  -2.205  -3.457   1.688
   15   2HG2  VAL   2          2HG2      VAL   2  -1.769  -2.158   0.577
   16   3HG2  VAL   2          3HG2      VAL   2  -3.454  -2.393   1.040
   17    H    SER   3           H        SER   3  -4.283   0.574   4.310
   18    HA   SER   3           HA       SER   3  -6.675  -0.864   3.754
   19   1HB   SER   3          2HB       SER   3  -5.766   1.076   5.818
   20   2HB   SER   3          1HB       SER   3  -7.507   0.909   5.586
   21    HG   SER   3           HG       SER   3  -7.095  -1.424   5.800
   22    H    ALA   4           H        ALA   4  -5.611   2.451   3.244
   23    HA   ALA   4           HA       ALA   4  -8.189   3.070   1.973
   24   1HB   ALA   4          1HB       ALA   4  -6.020   4.882   3.017
   25   2HB   ALA   4          2HB       ALA   4  -7.629   4.635   3.695
   26   3HB   ALA   4          3HB       ALA   4  -7.442   5.442   2.138
   27    H    CYS   5           H        CYS   5  -5.701   1.598   0.891
   28    HA   CYS   5           HA       CYS   5  -4.474   3.166  -1.077
   29   1HB   CYS   5          2HB       CYS   5  -3.578   1.001  -0.437
   30   2HB   CYS   5          1HB       CYS   5  -5.022   0.194  -1.033
   31    H    ALA   6           H        ALA   6  -4.960   3.658  -3.160
   32    HA   ALA   6           HA       ALA   6  -7.740   3.392  -3.941
   33   1HB   ALA   6          1HB       ALA   6  -5.448   5.068  -4.773
   34   2HB   ALA   6          2HB       ALA   6  -7.133   5.507  -4.488
   35   3HB   ALA   6          3HB       ALA   6  -6.669   4.721  -5.997
   36    H    LEU   7           H        LEU   7  -4.589   2.184  -4.892
   37    HA   LEU   7           HA       LEU   7  -5.814   0.679  -7.090
   38   1HB   LEU   7          2HB       LEU   7  -3.560   0.347  -7.909
   39   2HB   LEU   7          1HB       LEU   7  -3.884   2.050  -7.682
   40    HG   LEU   7           HG       LEU   7  -2.714   1.133  -5.282
   41   1HD1  LEU   7          1HD1      LEU   7  -1.861  -0.813  -6.382
   42   2HD1  LEU   7          2HD1      LEU   7  -0.531   0.321  -6.150
   43   3HD1  LEU   7          3HD1      LEU   7  -1.278   0.151  -7.738
   44   1HD2  LEU   7          1HD2      LEU   7  -1.873   2.897  -7.549
   45   2HD2  LEU   7          2HD2      LEU   7  -0.787   2.579  -6.197
   46   3HD2  LEU   7          3HD2      LEU   7  -2.352   3.340  -5.910
   47    H    SER   8           H        SER   8  -6.715  -1.062  -6.061
   48    HA   SER   8           HA       SER   8  -5.836  -2.491  -3.915
   49   1HB   SER   8          2HB       SER   8  -7.097  -3.733  -6.367
   50   2HB   SER   8          1HB       SER   8  -7.161  -4.350  -4.716
   51    HG   SER   8           HG       SER   8  -8.582  -2.828  -4.180
   52    H    LYS   9           H        LYS   9  -4.891  -4.700  -3.823
   53    HA   LYS   9           HA       LYS   9  -3.145  -6.126  -4.110
   54   1HB   LYS   9          2HB       LYS   9  -3.336  -5.220  -6.988
   55   2HB   LYS   9          1HB       LYS   9  -2.409  -6.602  -6.422
   56   1HG   LYS   9          2HG       LYS   9  -5.398  -6.275  -6.294
   57   2HG   LYS   9          1HG       LYS   9  -4.495  -7.343  -7.369
   58   1HD   LYS   9          2HD       LYS   9  -4.921  -8.883  -5.779
   59   2HD   LYS   9          1HD       LYS   9  -3.541  -8.139  -4.970
   60   1HE   LYS   9          2HE       LYS   9  -4.966  -6.790  -3.616
   61   2HE   LYS   9          1HE       LYS   9  -6.388  -7.251  -4.553
   62   1HZ   LYS   9          1HZ       LYS   9  -5.716  -9.626  -3.785
   63   2HZ   LYS   9          2HZ       LYS   9  -6.570  -8.609  -2.735
   64   3HZ   LYS   9          3HZ       LYS   9  -4.899  -8.803  -2.552
   65    H    CYS  10           H        CYS  10  -1.719  -4.943  -2.818
   66    HA   CYS  10           HA       CYS  10   0.385  -3.558  -4.329
   67   1HB   CYS  10          2HB       CYS  10  -1.274  -2.493  -2.132
   68   2HB   CYS  10          1HB       CYS  10   0.455  -2.194  -1.982
   69    H    ALA  11           H        ALA  11  -0.210  -6.197  -2.645
   70    HA   ALA  11           HA       ALA  11   2.431  -6.803  -2.036
   71   1HB   ALA  11          1HB       ALA  11   1.460  -5.044  -0.144
   72   2HB   ALA  11          2HB       ALA  11   2.859  -6.102   0.039
   73   3HB   ALA  11          3HB       ALA  11   1.280  -6.620   0.627
   74    H    ALA  12           H        ALA  12  -0.930  -7.267  -1.070
   75    HA   ALA  12           HA       ALA  12  -2.193  -9.135  -0.768
   76   1HB   ALA  12          1HB       ALA  12  -0.830  -9.619  -3.011
   77   2HB   ALA  12          2HB       ALA  12  -1.937 -10.792  -2.297
   78   3HB   ALA  12          3HB       ALA  12  -0.201 -10.934  -2.018
   79    H    ALA  13           H        ALA  13  -0.114  -8.380   1.183
   80    HA   ALA  13           HA       ALA  13  -0.243 -10.773   2.788
   81   1HB   ALA  13          1HB       ALA  13   1.973 -11.320   2.938
   82   2HB   ALA  13          2HB       ALA  13   2.517  -9.699   2.509
   83   3HB   ALA  13          3HB       ALA  13   1.903 -10.782   1.260
   84    H    ALA  14           H        ALA  14  -1.138  -7.940   2.830
   85    HA   ALA  14           HA       ALA  14  -1.443  -6.280   4.352
   86   1HB   ALA  14          1HB       ALA  14  -1.656  -6.943   6.499
   87   2HB   ALA  14          2HB       ALA  14  -0.051  -7.672   6.545
   88   3HB   ALA  14          3HB       ALA  14  -1.394  -8.545   5.808
   89    H    ASN  15           H        ASN  15   1.003  -6.382   2.769
   90    HA   ASN  15           HA       ASN  15   3.043  -5.267   4.520
   91   1HB   ASN  15          2HB       ASN  15   3.023  -6.580   1.968
   92   2HB   ASN  15          1HB       ASN  15   3.817  -5.017   1.805
   93   1HD2  ASN  15          1HD2      ASN  15   5.661  -4.581   3.070
   94   2HD2  ASN  15          2HD2      ASN  15   6.614  -5.863   3.728
   95    H    VAL  16           H        VAL  16   1.751  -3.416   5.131
   96    HA   VAL  16           HA       VAL  16   0.808  -1.502   3.303
   97    HB   VAL  16           HB       VAL  16   1.715  -0.989   6.137
   98   1HG1  VAL  16          1HG1      VAL  16  -0.436   0.613   5.677
   99   2HG1  VAL  16          2HG1      VAL  16   0.343   0.607   4.094
  100   3HG1  VAL  16          3HG1      VAL  16   1.247   1.119   5.520
  101   1HG2  VAL  16          1HG2      VAL  16  -0.146  -1.949   6.951
  102   2HG2  VAL  16          2HG2      VAL  16  -0.150  -2.832   5.425
  103   3HG2  VAL  16          3HG2      VAL  16  -1.145  -1.388   5.611
  104    H    ALA  17           H        ALA  17   3.893  -1.756   5.037
  105    HA   ALA  17           HA       ALA  17   4.984   0.689   4.280
  106   1HB   ALA  17          1HB       ALA  17   6.644  -1.804   4.511
  107   2HB   ALA  17          2HB       ALA  17   5.904  -1.049   5.924
  108   3HB   ALA  17          3HB       ALA  17   7.068  -0.149   4.950
  109    H    ALA  18           H        ALA  18   5.007  -2.423   2.592
  110    HA   ALA  18           HA       ALA  18   6.631  -1.600   0.427
  111   1HB   ALA  18          1HB       ALA  18   4.473  -3.699   0.293
  112   2HB   ALA  18          2HB       ALA  18   6.039  -3.976   1.056
  113   3HB   ALA  18          3HB       ALA  18   5.951  -3.595  -0.664
  114    H    HIS  19           H        HIS  19   3.292  -1.199   1.221
  115    HA   HIS  19           HA       HIS  19   2.422  -0.415  -1.394
  116   1HB   HIS  19          2HB       HIS  19   0.620  -1.213  -0.247
  117   2HB   HIS  19          1HB       HIS  19   1.238  -0.684   1.309
  118    HD2  HIS  19           2HD      HIS  19   0.279   1.672   2.231
  119    HE1  HIS  19           1HE      HIS  19  -2.132   2.560  -1.112
  120    HE2  HIS  19           2HE      HIS  19  -1.448   3.297   1.209
  121    H    MET  20           H        MET  20   2.774   1.380   1.688
  122    HA   MET  20           HA       MET  20   2.342   3.904   0.567
  123   1HB   MET  20          2HB       MET  20   2.372   3.250   3.023
  124   2HB   MET  20          1HB       MET  20   4.119   3.421   2.939
  125   1HG   MET  20          2HG       MET  20   3.304   5.764   1.846
  126   2HG   MET  20          1HG       MET  20   2.020   5.461   3.016
  127   1HE   MET  20          1HE       MET  20   2.906   7.886   4.042
  128   2HE   MET  20          2HE       MET  20   3.605   7.572   5.630
  129   3HE   MET  20          3HE       MET  20   2.156   6.708   5.118
  130    H    THR  21           H        THR  21   5.193   1.922   0.635
  131    HA   THR  21           HA       THR  21   7.206   3.770   0.238
  132    HB   THR  21           HB       THR  21   7.228   1.146   0.325
  133    HG1  THR  21           1HG      THR  21   9.193   1.926   0.354
  134   1HG2  THR  21          1HG2      THR  21   7.158  -0.067  -1.557
  135   2HG2  THR  21          2HG2      THR  21   7.841   1.223  -2.546
  136   3HG2  THR  21          3HG2      THR  21   6.130   1.252  -2.117
  137    H    HIS  22           H        HIS  22   4.613   2.835  -1.824
  138    HA   HIS  22           HA       HIS  22   5.538   4.743  -3.854
  139   1HB   HIS  22          2HB       HIS  22   4.593   3.210  -5.600
  140   2HB   HIS  22          1HB       HIS  22   6.013   2.574  -4.774
  141    HD1  HIS  22           1HD      HIS  22   5.726   0.152  -4.372
  142    HD2  HIS  22           2HD      HIS  22   2.157   2.228  -3.941
  143    HE1  HIS  22           1HE      HIS  22   4.026  -1.565  -3.670
  144    HE2  HIS  22           2HE      HIS  22   1.920  -0.255  -3.274
  145    H    CYS  23           H        CYS  23   3.092   3.875  -1.711
  146    HA   CYS  23           HA       CYS  23   1.059   5.207  -3.375
  147   1HB   CYS  23          2HB       CYS  23   0.886   3.003  -1.364
  148   2HB   CYS  23          1HB       CYS  23  -0.442   4.149  -1.447
  149    H    ALA  24           H        ALA  24   0.765   7.260  -2.861
  150    HA   ALA  24           HA       ALA  24   0.279   8.057  -0.146
  151   1HB   ALA  24          1HB       ALA  24   2.767   8.051  -0.270
  152   2HB   ALA  24          2HB       ALA  24   2.070   9.629   0.101
  153   3HB   ALA  24          3HB       ALA  24   2.661   9.286  -1.525
  154    H    LYS  25           H        LYS  25  -1.211   8.084  -2.567
  155    HA   LYS  25           HA       LYS  25  -1.919  10.896  -2.625
  156   1HB   LYS  25          2HB       LYS  25  -1.901  11.018  -5.086
  157   2HB   LYS  25          1HB       LYS  25  -0.290  10.773  -4.426
  158   1HG   LYS  25          2HG       LYS  25  -1.809   8.354  -5.195
  159   2HG   LYS  25          1HG       LYS  25  -1.226   9.394  -6.496
  160   1HD   LYS  25          2HD       LYS  25   0.732   8.817  -4.377
  161   2HD   LYS  25          1HD       LYS  25   0.234   7.425  -5.341
  162   1HE   LYS  25          2HE       LYS  25   0.849   9.870  -6.862
  163   2HE   LYS  25          1HE       LYS  25   2.218   9.126  -6.036
  164   1HZ   LYS  25          1HZ       LYS  25   1.873   8.311  -8.327
  165   2HZ   LYS  25          2HZ       LYS  25   0.380   7.670  -7.856
  166   3HZ   LYS  25          3HZ       LYS  25   1.807   7.078  -7.170